data_r4crhsf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4crh 
_cell.length_a      71.2900 
_cell.length_b      71.2900 
_cell.length_c      38.4100 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   120.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9795 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.720 
_diffrn_reflns.pdbx_d_res_low    38.410 
_diffrn_reflns.limit_h_max       35 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       35 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       22 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            11971 
_diffrn_reflns.pdbx_number_obs   11953 
# 
_entry.id   4crh 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4crh 
_symmetry.space_group_name_H-M   'P 61' 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'         
2 'Y,  -X+Y,  Z+5/6'  
3 'X-Y,  X,  Z+1/6'   
4 '-X+Y,  -X,  Z+2/3' 
5 '-X,  -Y,  Z+1/2'   
6 '-Y,  X-Y,  Z+1/3'  
# 
#
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    0    0    6 o  365.583   3.5789  996.464   19.508  966.582   26.878  1029.73   28.358  360.040   5.0070  371.613   5.1182 -11.57263 7.159983 
1 1 1    0    0   12 o  794.759   9.2313  4712.21  109.387   0.0000   0.0000  4712.21  109.387  ?   ?   794.759   9.2313 0.000000 9.231273 
1 1 1    0    0   18 o  308.120   6.1483  708.834   28.245   0.0000   0.0000  708.834   28.245  ?   ?   308.120   6.1483 0.000000 6.148278 
1 1 1    0    1    1 o  287.073   2.1745  614.400   9.3073  614.400   9.3073   0.0000   0.0000  287.073   2.1745  ?   ?  0.000000 2.174517 
1 1 1    0    1    2 o  329.101   1.5005  807.443   7.3625  801.296   11.940  811.215   9.3522  327.837   2.4427  329.866   1.9015 -2.028290 3.095595 
1 1 1    0    1    3 o   31.180   1.7735   7.2714   0.8211   8.2062   1.1518   6.3054   1.1708   33.093   2.3495   28.951   2.7451 4.142195 3.613292 
1 1 1    0    1    4 o  151.523   1.0985  171.162   2.4817  174.535   3.7068  168.422   3.3410  153.006   1.6249  150.303   1.4909 2.702606 2.205182 
1 1 1    0    1    5 o  308.741   1.3675  710.659   6.2948  712.132   9.3493  709.437   8.5137  309.047   2.0290  308.466   1.8512 0.5810852 2.746573 
1 1 1    0    1    6 o  290.957   1.3770  631.163   5.9734  640.415   8.9056  623.597   8.0538  293.065   2.0381  289.196   1.8678 3.868774 2.764538 
1 1 1    0    1    7 o  212.649   1.2750  337.126   4.0425  337.649   5.7012  336.596   5.7329  212.808   1.7968  212.476   1.8097 0.3323059 2.550184 
1 1 1    0    1    8 o  132.945   1.9718  131.773   3.9085   0.0000   0.0000  131.773   3.9085  ?   ?   132.945   1.9718 0.000000 1.971849 
1 1 1    0    1    9 o  376.802   1.6802  1058.51   9.4395  1067.60   14.084  1051.10   12.719  378.400   2.4964  375.470   2.2720 2.929993 3.375460 
1 1 1    0    1   10 o  355.344   2.4880  941.507   13.182  941.507   13.182   0.0000   0.0000  355.344   2.4880  ?   ?  0.000000 2.487973 
1 1 1    0    1   11 o  583.844   2.2124  2541.60   19.259  2600.99   29.147  2495.57   25.658  590.565   3.3102  578.494   2.9748 12.07080 4.450489 
1 1 1    0    1   12 o  112.876   2.7552   95.019   4.6369   0.0000   0.0000   95.019   4.6369  ?   ?   112.876   2.7552 0.000000 2.755204 
1 1 1    0    1   13 o  242.977   1.8553  440.237   6.7212  439.417   11.672  440.644   8.2211  242.686   3.2257  243.074   2.2684 -0.3876190 3.943437 
1 1 1    0    1   14 o  124.645   3.5984  115.982   6.6873  115.982   6.6873   0.0000   0.0000  124.645   3.5984  ?   ?  0.000000 3.598351 
1 1 1    0    1   15 o   46.758   4.5926   16.502   3.1604   15.636   5.5211   16.923   3.8543   44.844   8.5699   47.221   5.5825 -2.376328 10.22781 
1 1 1    0    1   16 f  214.279   2.4195  342.635   7.7299   0.0000   0.0000  342.635   7.7299  ?   ?   214.279   2.4195 0.000000 2.419498 
1 1 1    0    1   17 o  220.994   2.5049  364.544   8.2535   0.0000   0.0000  364.544   8.2535  ?   ?   220.994   2.5049 0.000000 2.504873 
1 1 1    0    1   18 o   52.033   5.4128   20.543   4.1378   0.0000   0.0000   20.543   4.1378  ?   ?    52.033   5.4128 0.000000 5.412827 
1 1 1    0    1   19 o   88.998   3.7781   59.347   5.0133   0.0000   0.0000   59.347   5.0133  ?   ?    88.998   3.7781 0.000000 3.778092 
1 1 1    0    1   20 o  165.314   2.7542  204.630   6.7885   0.0000   0.0000  204.630   6.7885  ?   ?   165.314   2.7542 0.000000 2.754200 
1 1 1    0    1   22 o   41.161   6.3489   13.566   3.7710   0.0000   0.0000   13.566   3.7710  ?   ?    41.161   6.3489 0.000000 6.348889 
1 1 1    0    2    1 o  398.542   2.3716  1184.19   14.093  1198.38   16.439  1144.84   27.372  400.917   2.7501  391.822   4.6855 9.095032 5.432901 
1 1 1    0    2    2 o  301.487   1.8007  677.638   8.0941  666.607   12.607  685.373   10.557  299.013   2.8279  303.198   2.3354 -4.185333 3.667529 
1 1 1    0    2    3 o  377.536   1.8039  1062.63   10.154  1072.58   19.176  1058.75   11.969  379.273   3.3911  376.842   2.1303 2.430756 4.004741 
1 1 1    0    2    4 o  681.124   2.7009  3459.14   27.429  3487.32   45.227  3442.74   34.497  683.793   4.4361  679.473   3.4051 4.319885 5.592297 
1 1 1    0    2    5 o  389.644   1.7102  1131.96   9.9354  1151.39   17.460  1122.65   12.082  392.924   2.9804  388.028   2.0884 4.896912 3.639264 
1 1 1    0    2    6 o   38.724   2.8913   11.246   1.6573   6.9207   2.9162   13.310   2.0142   29.846   6.7157   42.118   3.2320 -12.27265 7.452959 
1 1 1    0    2    7 o  251.835   1.4411  472.828   5.4109  493.983   8.8569  460.231   6.8346  257.393   2.3079  248.452   1.8450 8.941025 2.954730 
1 1 1    0    2    8 o  619.310   2.6048  2859.76   24.052  2870.52   48.473  2856.25   27.703  620.313   5.2410  618.912   3.0021 1.401001 6.039975 
1 1 1    0    2    9 o  778.247   3.1510  4516.25   36.562  4363.78   57.522  4619.61   47.361  764.857   5.0441  787.043   4.0360 -22.18604 6.460017 
1 1 1    0    2   10 o  319.872   3.1011  762.964   14.790  762.964   14.790   0.0000   0.0000  319.872   3.1011  ?   ?  0.000000 3.101129 
1 1 1    0    2   11 o  164.593   1.9396  201.986   4.7598  199.719   8.0618  203.199   5.8973  163.647   3.3041  165.081   2.3960 -1.434570 4.081428 
1 1 1    0    2   12 o  310.277   2.2924  717.895   10.605   0.0000   0.0000  717.895   10.605  ?   ?   310.277   2.2924 0.000000 2.292381 
1 1 1    0    2   13 o  216.667   1.8515  350.061   5.9812  359.492   10.483  345.509   7.2829  219.508   3.2031  215.239   2.2694 4.268326 3.925591 
1 1 1    0    2   14 o   95.395   4.4744   67.989   6.3640   67.989   6.3640   0.0000   0.0000   95.395   4.4744  ?   ?  0.000000 4.474389 
1 1 1    0    2   15 o  103.056   2.4302   79.239   3.7341   80.421   6.4324   78.639   4.5860  103.740   4.1587  102.643   2.9966 1.096970 5.125873 
1 1 1    0    2   16 f   71.514   3.8481   38.334   4.0879   0.0000   0.0000   38.334   4.0879  ?   ?    71.514   3.8481 0.000000 3.848065 
1 1 1    0    2   17 o  218.246   2.3410  355.481   7.6175  335.758   19.762  358.922   8.2555  211.383   6.2704  219.280   2.5251 -7.897232 6.759711 
1 1 1    0    2   18 o   74.219   3.8989   41.331   4.2993   58.012   11.345   38.534   4.6458   86.947   8.8762   71.595   4.3732 15.35217 9.895031 
1 1 1    0    2   19 o  153.163   2.6287  175.320   6.0030  211.469   18.455  171.042   6.3482  166.773   7.4220  151.256   2.8149 15.51775 7.937885 
1 1 1    0    2   20 o  133.528   2.9967  133.624   5.9660   0.0000   0.0000  133.624   5.9660  ?   ?   133.528   2.9967 0.000000 2.996698 
1 1 1    0    2   22 o   38.790   6.8996   12.228   3.8441   0.0000   0.0000   12.228   3.8441  ?   ?    38.790   6.8996 0.000000 6.899567 
1 1 1    0    3    0 o  367.146   3.1787  1005.18   17.398  1005.18   17.398  1005.18   17.398  367.146   3.1787  367.146   3.1787 0.000000 0.000000 
1 1 1    0    3    1 f  486.069   2.2745  1761.44   16.484  1738.09   22.982  1786.18   23.656  482.819   3.1926  489.453   3.2415 -6.633331 4.549723 
1 1 1    0    3    2 o  397.347   1.9787  1177.08   11.723  1162.59   16.388  1192.26   16.775  394.882   2.7835  399.889   2.8136 -5.007660 3.957810 
1 1 1    0    3    3 o  227.289   1.8374  385.146   6.2266  372.033   8.6442  399.287   8.9767  223.380   2.5954  231.417   2.6017 -8.037308 3.674891 
1 1 1    0    3    4 o  107.712   1.3353   86.494   2.1444   88.189   3.4950   85.471   2.7156  108.758   2.1553  107.071   1.7011 1.686806 2.745764 
1 1 1    0    3    5 o  243.136   1.4645  440.739   5.3088  434.368   8.5943  444.670   6.7508  241.352   2.3883  244.210   1.8540 -2.858093 3.023473 
1 1 1    0    3    6 f   23.974   4.6722   4.4376   1.6100   7.9790   2.6964   2.4753   2.0071   32.194   5.8322   18.695   6.1862 13.49859 8.502014 
1 1 1    0    3    7 o  278.289   1.5598  577.385   6.4721  596.089   11.524  568.768   7.8221  282.738   2.7337  276.200   1.8995 6.538788 3.328865 
1 1 1    0    3    8 o  502.246   2.2539  1880.73   16.878  1890.15   34.087  1877.68   19.427  503.406   4.5415  501.828   2.5964 1.578094 5.231280 
1 1 1    0    3    9 o  842.673   3.1709  5294.97   39.839  5286.31   68.847  5299.33   48.848  841.782   5.4855  842.969   3.8866 -1.186523 6.722805 
1 1 1    0    3   10 o  539.441   2.6100  2169.75   20.992  2227.28   32.714  2129.47   27.371  546.476   4.0150  534.375   3.4353 12.10132 5.284122 
1 1 1    0    3   11 o  293.304   1.8511  641.401   8.0949  643.811   13.862  640.153   9.9717  293.819   3.1644  293.009   2.2825 0.8101807 3.901686 
1 1 1    0    3   12 o  118.466   2.6216  104.662   4.6306   0.0000   0.0000  104.662   4.6306  ?   ?   118.466   2.6216 0.000000 2.621641 
1 1 1    0    3   13 o  150.079   2.0211  167.967   4.5224  184.542   8.0075  160.205   5.4801  157.261   3.4151  146.557   2.5079 10.70412 4.237047 
1 1 1    0    3   14 o  116.963   3.8587  102.154   6.7291  102.154   6.7291   0.0000   0.0000  116.963   3.8587  ?   ?  0.000000 3.858659 
1 1 1    0    3   15 o  266.121   1.9359  528.238   7.6811  524.986   13.234  529.890   9.4323  265.162   3.3475  266.502   2.3738 -1.340027 4.103755 
1 1 1    0    3   16 o  207.516   2.4410  321.365   7.5525   0.0000   0.0000  321.365   7.5525  ?   ?   207.516   2.4410 0.000000 2.441013 
1 1 1    0    3   17 o   86.331   2.9648   55.661   3.8162   54.632   6.6704   56.162   4.6530   85.203   5.2768   86.681   3.6003 -1.478630 6.387969 
1 1 1    0    3   18 o  114.980   3.0048   98.781   5.1512  109.530   14.822   97.304   5.4936  119.889   8.3438  114.097   3.2293 5.791260 8.946932 
1 1 1    0    3   19 o   28.642   8.5327   6.3724   3.9166   18.016   11.774   4.9237   4.1531   47.182   14.934   26.203   8.9013 20.97939 17.38581 
1 1 1    0    3   20 o  103.005   3.1148   79.565   4.7836   95.235   13.844   77.440   5.0976  110.348   8.4792  101.570   3.3661 8.777931 9.122910 
1 1 1    0    3   22 o   38.163   7.0232   11.892   3.8489   0.0000   0.0000   11.892   3.8489  ?   ?    38.163   7.0232 0.000000 7.023167 
1 1 1    0    4    0 o  840.224   6.4089  5265.48   80.277  5265.48   80.277  5265.48   80.277  840.224   6.4089  840.224   6.4089 0.000000 0.000000 
1 1 1    0    4    1 o  518.089   2.4106  2001.19   18.621  1987.52   26.138  2015.28   26.533  516.294   3.3955  519.886   3.4231 -3.592224 4.821495 
1 1 1    0    4    2 o  591.443   2.7157  2608.08   23.948  2589.26   33.616  2627.47   34.125  589.270   3.8261  593.601   3.8558 -4.330872 5.431936 
1 1 1    0    4    3 o  185.766   2.4805  257.293   6.8702   0.0000   0.0000  257.293   6.8702  ?   ?   185.766   2.4805 0.000000 2.480470 
1 1 1    0    4    4 o  321.963   1.8380  772.860   8.8232  792.236   12.735  754.976   12.235  325.956   2.6205  318.199   2.5789 7.756287 3.676690 
1 1 1    0    4    5 o  427.588   2.0558  1363.28   13.106  1379.44   20.234  1351.60   17.203  430.051   3.1556  425.717   2.7103 4.334290 4.159781 
1 1 1    0    4    6 o  195.845   1.4818  285.964   4.3267  276.117   7.0110  292.021   5.4988  192.427   2.4437  197.903   1.8636 -5.475769 3.073176 
1 1 1    0    4    7 o  172.141   1.5563  220.921   3.9944  218.543   6.5750  222.313   5.0288  171.201   2.5758  172.678   1.9532 -1.477417 3.232655 
1 1 1    0    4    8 o  422.296   2.1698  1329.61   13.662  1334.59   25.822  1327.68   16.100  423.025   4.0941  421.979   2.5589 1.045166 4.828002 
1 1 1    0    4    9 o  295.703   1.7105  651.901   7.5415  634.379   12.872  661.059   9.3058  291.681   2.9599  297.767   2.0961 -6.086212 3.626890 
1 1 1    0    4   10 o  152.016   2.1494  172.295   4.8716  165.480   7.3796  177.559   6.4856  148.965   3.3226  154.313   2.8189 -5.347427 4.357275 
1 1 1    0    4   11 f  129.210   2.0951  124.482   4.0362  128.390   6.8759  122.427   4.9856  131.202   3.5149  128.133   2.6097 3.069168 4.377801 
1 1 1    0    4   12 o  110.653   3.1407   91.330   5.1816   0.0000   0.0000   91.330   5.1816  ?   ?   110.653   3.1407 0.000000 3.140733 
1 1 1    0    4   13 o  196.913   1.8684  289.146   5.4853  288.974   9.4602  289.234   6.7327  196.797   3.2241  196.928   2.2930 -0.1311798 3.956387 
1 1 1    0    4   14 o   33.490   6.5056   8.6874   3.1314   10.095   4.5623   7.4337   4.3057   35.934   8.6250   31.063   8.8617 4.871206 12.36614 
1 1 1    0    4   15 o  115.650   2.3171   99.785   3.9954  100.633   6.8542   99.349   4.9173  116.053   3.9612  115.373   2.8586 0.6797638 4.884945 
1 1 1    0    4   16 f  135.979   2.4926  137.997   5.0535  132.195   14.952  138.745   5.3695  132.264   7.6142  136.338   2.6415 -4.073792 8.059351 
1 1 1    0    4   17 o  119.740   2.5164  107.026   4.4924  105.398   7.9620  107.787   5.4413  118.654   4.5006  120.128   3.0380 -1.474709 5.429986 
1 1 1    0    4   18 o   46.128   5.1237   16.163   3.4643   17.861   6.0937   15.353   4.2110   47.733   8.8894   44.683   6.5123 3.049950 11.01962 
1 1 1    0    4   19 o   37.161   7.6299   10.892   4.0859   30.740   12.154   8.3625   4.3384   60.976   13.702   32.463   8.7604 28.51320 16.26336 
1 1 1    0    4   20 o   22.809   8.3781   3.3527   3.7378   21.326   11.411   1.1926   3.9561   49.497   14.518   20.010   8.2342 29.48693 16.69089 
1 1 1    0    4   21 f   50.165   12.817   22.528   9.6218   22.528   9.6218   0.0000   0.0000   50.165   12.817  ?   ?  0.000000 12.81708 
1 1 1    0    4   22 o   73.609   3.7375   41.299   4.0885   41.271   10.404   41.304   4.4462   68.783   10.476   73.462   4.0753 -4.679047 11.24033 
1 1 1    0    5    0 o  442.512   3.7241  1460.27   24.567  1460.27   24.567  1460.27   24.567  442.512   3.7241  442.512   3.7241 0.000000 0.000000 
1 1 1    0    5    1 o  694.100   3.4080  3592.29   35.268  3701.11   57.498  3526.65   44.656  704.422   5.4745  687.685   4.3553 16.73706 6.995653 
1 1 1    0    5    2 o  183.206   1.3775  250.230   3.7626  251.888   5.3406  248.595   5.3019  183.809   1.9487  182.604   1.9474 1.205231 2.754960 
1 1 1    0    5    3 o  596.034   3.3917  2649.19   30.141  2650.22   60.605  2648.85   34.743  595.880   6.8215  595.967   3.9100 -0.8654785E-01 7.862582 
1 1 1    0    5    4 o  177.066   1.5267  233.750   4.0304  235.678   5.7219  231.852   5.6780  177.786   2.1586  176.337   2.1596 1.448837 3.053457 
1 1 1    0    5    5 o  283.010   1.7901  597.199   7.5534  592.812   10.603  601.718   10.763  281.944   2.5224  284.054   2.5413 -2.109344 3.580559 
1 1 1    0    5    6 o  305.033   1.6535  693.718   7.5202  700.581   12.384  689.710   9.4652  306.509   2.7099  304.140   2.0873 2.368652 3.420591 
1 1 1    0    5    7 o  464.806   2.1085  1610.79   14.612  1598.25   23.804  1618.37   18.510  462.946   3.4487  465.882   2.6648 -2.936554 4.358235 
1 1 1    0    5    8 o  345.862   2.1352  891.857   11.010  888.790   19.228  893.352   13.431  345.228   3.7355  346.143   2.6024 -0.9151306 4.552604 
1 1 1    0    5    9 o  284.812   1.8085  604.772   7.6799  605.590   12.614  604.290   9.6808  284.984   2.9688  284.691   2.2807 0.2930908 3.743671 
1 1 1    0    5   10 o  368.063   2.1642  1010.05   11.877  1017.51   18.112  1004.43   15.730  369.385   3.2887  367.017   2.8746 2.367249 4.367948 
1 1 1    0    5   11 o  234.087   1.8036  408.559   6.2947  422.793   11.002  401.631   7.6752  238.099   3.0991  232.086   2.2180 6.012726 3.811038 
1 1 1    0    5   12 o   68.570   3.4955   35.169   3.5618   40.280   8.7787   34.162   3.8970   72.899   8.2203   67.551   3.8856 5.347496 9.092351 
1 1 1    0    5   13 o   98.799   2.4122   72.807   3.5534   79.111   6.1236   69.607   4.3631  102.941   3.9898   96.589   3.0297 6.351959 5.009693 
1 1 1    0    5   14 o  118.774   2.5551  105.251   4.5248  108.960   6.8773  102.419   6.0085  120.791   3.8187  117.129   3.4406 3.662186 5.140049 
1 1 1    0    5   15 o  167.954   2.0587  210.425   5.1554  209.086   8.9745  211.084   6.2982  167.310   3.5977  168.191   2.5116 -0.8810425 4.387602 
1 1 1    0    5   16 o   17.670   7.4228   0.3268   3.3110  -6.1556   6.7184   2.4063   3.8052   19.879   9.2653   21.753   8.3532 -1.874308 12.47485 
1 1 1    0    5   17 f   75.384   3.3293   42.464   3.7420   44.168   6.6126   41.661   4.5386   76.476   5.8435   74.511   4.1012 1.965546 7.139063 
1 1 1    0    5   18 o   41.395   5.8892   13.145   3.5323   8.4932   6.3832   15.198   4.2407   33.724   11.026   44.424   6.6035 -10.69981 12.85216 
1 1 1    0    5   19 o   71.776   3.4170   38.588   3.6567   43.780   7.0185   36.653   4.2840   75.785   6.2677   69.757   4.1376 6.028275 7.510233 
1 1 1    0    5   20 o   88.950   3.3403   59.425   4.4299   74.267   12.732   57.381   4.7252   96.924   8.9102   87.349   3.6282 9.575455 9.620588 
1 1 1    0    5   21 o   87.098   6.3876   59.183   8.2371   67.057   11.334   50.369   11.992   91.288   8.4223   77.342   10.685 13.94604 13.60493 
1 1 1    0    5   22 o   28.865   7.9000   7.0171   3.4989   3.2216   9.3295   7.6383   3.7744   28.242   12.179   30.013   8.2013 -1.770948 14.68262 
1 1 1    0    6    0 o  262.854   2.2157  515.208   8.6823  515.208   8.6823  515.208   8.6823  262.854   2.2157  262.854   2.2157 0.000000 0.000000 
1 1 1    0    6    1 o  356.017   1.8573  944.957   9.8588  947.567   13.953  942.355   13.932  356.495   2.6252  355.513   2.6283 0.9818420 3.714758 
1 1 1    0    6    2 o  183.609   1.4056  251.334   3.8479  248.195   5.4005  254.570   5.4839  182.455   1.9852  184.783   1.9905 -2.328033 2.811235 
1 1 1    0    6    3 o  531.332   2.7742  2105.17   21.977  2111.21   34.960  2101.22   28.260  531.986   4.4076  530.787   3.5709 1.198486 5.672578 
1 1 1    0    6    4 o  283.755   1.9070  600.352   8.0679  593.058   10.343  611.684   12.893  282.009   2.4600  286.381   3.0195 -4.372070 3.894737 
1 1 1    0    6    5 o  408.666   2.3720  1245.39   14.453  1243.56   18.652  1248.14   22.864  408.325   3.0637  409.026   3.7491 -0.7005310 4.841719 
1 1 1    0    6    6 o  161.299   1.7296  193.978   4.1597  190.743   5.8338  197.323   5.9328  159.940   2.4464  162.676   2.4461 -2.735321 3.459460 
1 1 1    0    6    7 o  355.384   1.9423  941.627   10.292  957.321   19.594  935.647   12.094  358.287   3.6679  354.247   2.2898 4.040741 4.323958 
1 1 1    0    6    8 o  535.962   2.3628  2141.75   18.881  2184.71   31.562  2117.80   23.562  541.247   3.9111  532.937   2.9653 8.310913 4.908072 
1 1 1    0    6    9 o  152.229   2.0037  172.777   4.5478  178.473   7.0540  168.725   5.9493  154.706   3.0582  150.426   2.6526 4.279053 4.048270 
1 1 1    0    6   10 o  181.271   2.2100  244.999   5.9730  239.033   8.4353  251.000   8.4591  179.036   3.1600  183.464   3.0924 -4.427917 4.421402 
1 1 1    0    6   11 o  250.758   1.7898  468.826   6.6915  468.557   11.583  468.961   8.1978  250.650   3.0994  250.785   2.1924 -0.1352234 3.796484 
1 1 1    0    6   12 o  184.603   1.9550  254.114   5.3810  258.305   10.625  252.669   6.2405  186.052   3.8303  184.069   2.2739 1.982605 4.454395 
1 1 1    0    6   13 o  147.992   1.9992  163.337   4.4112  169.263   7.7272  160.471   5.3726  150.597   3.4414  146.674   2.4568 3.922562 4.228374 
1 1 1    0    6   14 o  161.783   2.2157  195.241   5.3446  199.282   8.2995  192.378   6.9859  163.380   3.4071  160.556   2.9183 2.824127 4.486042 
1 1 1    0    6   15 f  114.820   2.3872   98.370   4.0867  103.165   7.3589   96.231   4.9141  117.475   4.2014  113.541   2.9029 3.934334 5.106715 
1 1 1    0    6   16 o   54.532   4.3892   22.393   3.5385   22.269   6.8794   22.437   4.1261   53.563   8.9285   54.485   5.1399 -0.9223328 10.30227 
1 1 1    0    6   17 o  128.270   2.4313  122.815   4.6498  128.893   8.6039  120.307   5.5263  131.212   4.3980  126.917   2.9204 4.295433 5.279303 
1 1 1    0    6   18 o   58.118   4.2155   25.439   3.6280   22.524   6.7373   26.630   4.3056   53.748   8.7049   59.365   4.9084 -5.617012 9.993390 
1 1 1    0    6   19 o  132.034   2.4728  130.305   4.8679  135.354   8.7317  128.029   5.8636  134.194   4.3641  130.793   3.0068 3.400574 5.299673 
1 1 1    0    6   20 o   99.886   2.8097   74.797   4.1844   71.947   7.3418   76.169   5.0924   97.223   5.0824  100.669   3.3928 -3.445869 6.110846 
1 1 1    0    6   21 o   41.998   7.3257   14.237   4.4204   11.723   8.7190   15.106   5.1283   36.918   12.883   42.849   8.3271 -5.931690 15.33994 
1 1 1    0    6   22 o   39.419   6.3148   12.548   3.5861   17.963   9.3975   11.626   3.8796   42.556   13.325   37.498   7.2011 5.058544 15.14603 
1 1 1    0    7    0 o  211.893   2.0922  334.832   6.6084  334.832   6.6084  334.832   6.6084  211.893   2.0922  211.893   2.0922 0.000000 0.000000 
1 1 1    0    7    1 o  620.067   2.8480  2866.94   26.330  2904.77   37.741  2831.08   36.750  624.068   4.0561  616.105   4.0007 7.963440 5.697186 
1 1 1    0    7    2 o  243.004   1.5630  440.257   5.6630  452.354   8.1555  428.993   7.8695  246.310   2.2208  239.866   2.2004 6.443985 3.126293 
1 1 1    0    7    3 o   66.332   2.0043   32.807   1.9823   33.359   3.2819   32.491   2.4872   66.877   3.2914   66.007   2.5272 0.8694305 4.149739 
1 1 1    0    7    4 o  340.980   1.9179  866.937   9.7505  861.783   13.736  872.171   13.843  339.931   2.7102  341.973   2.7150 -2.042236 3.836217 
1 1 1    0    7    5 o  342.068   2.1544  872.481   10.988  890.778   14.414  847.099   16.977  345.611   2.7972  337.003   3.3788 8.607391 4.386361 
1 1 1    0    7    6 o  547.944   2.6926  2238.77   21.998  2200.26   30.654  2279.65   31.585  543.154   3.7853  552.862   3.8317 -9.707886 5.386156 
1 1 1    0    7    7 o  311.061   1.8559  721.388   8.6074  693.550   12.879  743.860   11.571  304.982   2.8323  315.858   2.4571 -10.87585 3.749528 
1 1 1    0    7    8 o  305.626   1.9037  696.402   8.6748  715.839   13.591  683.040   11.269  309.842   2.9420  302.670   2.4971 7.172638 3.858865 
1 1 1    0    7    9 o  225.267   1.9122  378.342   6.4224  387.442   10.128  372.223   8.3057  227.941   2.9802  223.429   2.4933 4.512451 3.885604 
1 1 1    0    7   10 o   43.909   5.6961   14.630   3.6412   15.273   5.1413   13.983   5.1577   44.535   8.0387   42.515   8.4345 2.020000 11.65163 
1 1 1    0    7   11 o  450.965   2.2344  1516.47   15.024  1517.57   24.628  1515.82   18.960  451.033   3.6623  450.836   2.8207 0.1973572 4.622578 
1 1 1    0    7   12 o   32.207   6.9293   8.0577   3.2287   0.9267   6.0267   10.928   3.8238   24.210   10.080   37.609   7.0788 -13.39926 12.31773 
1 1 1    0    7   13 o   86.326   2.6009   55.594   3.3476   62.052   5.8906   52.513   4.0685   91.146   4.3346   83.883   3.2530 7.263077 5.419510 
1 1 1    0    7   14 o  203.918   2.1613  310.185   6.5713  313.646   10.108  307.651   8.6484  204.968   3.3074  203.037   2.8569 1.931259 4.370461 
1 1 1    0    7   15 o  267.852   1.9492  535.180   7.7843  545.606   13.787  530.302   9.4314  270.272   3.4214  266.588   2.3728 3.684082 4.163686 
1 1 1    0    7   16 o  111.437   2.6927   92.710   4.4739   96.233   8.9742   91.544   5.1609  113.299   5.3125  110.707   3.1267 2.592628 6.164293 
1 1 1    0    7   17 o  229.175   2.1899  391.967   7.4828  395.219   15.389  390.960   8.5632  229.720   4.4932  228.841   2.5098 0.8787842 5.146618 
1 1 1    0    7   18 o  128.708   2.6341  123.757   5.0548  145.217   10.995  118.005   5.6920  138.974   5.3062  125.638   3.0386 13.33593 6.114673 
1 1 1    0    7   19 o   46.197   5.5354   16.357   3.7367   8.8281   8.3187   18.260   4.1825   35.096   12.553   48.768   5.8701 -13.67154 13.85745 
1 1 1    0    7   20 o   84.587   3.5872   53.865   4.5241   52.364   7.0395   54.922   5.9050   82.585   5.7530   85.001   4.6773 -2.416634 7.414483 
1 1 1    0    7   21 o   27.121   7.8941   6.0198   3.3852   6.4897   4.8821   5.5846   4.6981   28.481   9.6511   26.943   9.4538 1.538448 13.50988 
1 1 1    0    8    0 o  213.698   2.1474  340.575   6.8404  340.575   6.8404  340.575   6.8404  213.698   2.1474  213.698   2.1474 0.000000 0.000000 
1 1 1    0    8    1 o  196.717   1.4855  288.514   4.3571  287.534   6.0996  289.535   6.2260  196.374   2.0833  197.055   2.1191 -0.6813202 2.971628 
1 1 1    0    8    2 o  395.063   2.2444  1163.81   13.220  1159.93   20.880  1166.41   17.080  394.329   3.5514  395.471   2.8967 -1.141205 4.582932 
1 1 1    0    8    3 o  156.669   1.5031  183.005   3.5112  184.982   4.9627  181.024   4.9683  157.503   2.1133  155.809   2.1387 1.694504 3.006662 
1 1 1    0    8    4 o  298.259   1.8096  663.283   8.0472  669.171   11.469  657.574   11.294  299.555   2.5679  296.948   2.5509 2.606445 3.619587 
1 1 1    0    8    5 o  261.513   1.9549  509.904   7.6225  510.854   9.8341  508.474   12.064  261.744   2.5199  261.118   3.0988 0.6260376 3.994039 
1 1 1    0    8    6 o  366.000   2.2912  998.772   12.503  995.849   19.721  1000.74   16.167  365.424   3.6196  366.342   2.9598 -0.9176941 4.675740 
1 1 1    0    8    7 o  379.676   2.1932  1074.78   12.415  1077.54   17.710  1072.12   17.410  380.138   3.1246  379.184   3.0794 0.9547424 4.387032 
1 1 1    0    8    8 o  217.066   1.6998  351.282   5.5012  371.483   9.2928  340.383   6.8259  223.206   2.7923  213.667   2.1426 9.538498 3.519670 
1 1 1    0    8    9 o  551.807   2.4504  2270.35   20.160  2311.12   33.544  2247.29   25.224  556.655   4.0417  548.970   3.0817 7.684448 5.082521 
1 1 1    0    8   10 f   85.674   2.7861   54.735   3.5589   51.713   5.8378   56.522   4.4897   83.117   4.7303   87.054   3.4590 -3.937004 5.860068 
1 1 1    0    8   11 o  331.091   2.2866  817.452   11.288  846.616   28.329  811.948   12.307  336.694   5.6433  329.965   2.5016 6.728821 6.172873 
1 1 1    0    8   12 o  240.882   2.0688  432.713   7.4300  430.417   14.003  433.612   8.7656  240.135   3.9112  241.116   2.4383 -0.9808807 4.608955 
1 1 1    0    8   13 o   64.981   3.5038   31.613   3.3821   31.977   5.1221   31.332   4.5035   65.177   5.3172   64.579   4.7097 0.5975571 7.103121 
1 1 1    0    8   14 o  219.257   2.3316  358.655   7.6223  347.654   10.511  370.857   11.070  215.788   3.2669  222.867   3.3314 -7.078125 4.665967 
1 1 1    0    8   15 o  155.020   2.3648  179.323   5.4657  173.405   8.4665  183.553   7.1568  152.330   3.7277  156.785   3.0616 -4.455536 4.823823 
1 1 1    0    8   16 o   69.171   3.7181   35.873   3.8204   23.824   7.9131   39.535   4.3626   55.162   9.9892   72.589   4.0470 -17.42706 10.77785 
1 1 1    0    8   17 o  260.229   2.3427  505.503   9.0896  533.598   14.702  488.119   11.565  267.101   3.6917  255.601   3.0346 11.50066 4.778888 
1 1 1    0    8   18 o  231.157   2.1152  398.927   7.2899  438.381   13.683  383.291   8.6141  241.924   3.7935  226.506   2.5507 15.41817 4.571311 
1 1 1    0    8   19 o   65.249   4.0308   32.121   3.9022   34.833   8.2971   31.352   4.4217   66.639   8.5479   64.334   4.6409 2.304390 9.726465 
1 1 1    0    8   20 o   16.004   7.0276  -0.5997   3.2273  -3.5336   5.6748   0.8028   3.9236   18.954   8.7219   19.318   8.0959 -0.3646698 11.90019 
1 1 1    0    8   21 o   70.904   3.9618   38.304   4.1715   33.174   6.2861   42.342   5.5764   64.733   6.6056   74.054   5.0812 -9.321175 8.333878 
1 1 1    0    9    0 o  318.246   2.5604  755.313   12.147  755.313   12.147  755.313   12.147  318.246   2.5604  318.246   2.5604 0.000000 0.000000 
1 1 1    0    9    1 o   78.232   1.8278   45.635   2.1320   45.817   2.7560   45.363   3.3645   78.384   2.3582   77.988   2.8935 0.3959045 3.732782 
1 1 1    0    9    2 f  240.147   2.0240  430.030   7.2469  426.945   15.215  430.935   8.2419  239.188   4.2665  240.392   2.2995 -1.204102 4.846691 
1 1 1    0    9    3 o  383.240   2.2471  1095.21   12.840  1081.32   20.185  1104.64   16.640  380.728   3.5559  384.854   2.9000 -4.125854 4.588479 
1 1 1    0    9    4 o  405.038   2.3553  1223.29   14.223  1217.52   22.496  1227.13   18.359  404.013   3.7346  405.644   3.0355 -1.631317 4.812603 
1 1 1    0    9    5 o  368.161   2.5418  1010.65   13.953  1009.21   19.746  1012.08   19.718  367.862   3.6002  368.385   3.5899 -0.5231628 5.084163 
1 1 1    0    9    6 o  278.098   1.8931  576.604   7.8494  584.330   11.265  569.311   10.944  279.941   2.6989  276.321   2.6563 3.620300 3.786808 
1 1 1    0    9    7 o  295.482   2.4672  650.983   10.869  645.439   15.416  656.465   15.328  294.197   3.5144  296.701   3.4649 -2.503540 4.935231 
1 1 1    0    9    8 o  121.027   2.7646  109.220   4.9887  113.028   5.8585   99.178   9.5147  123.114   3.1916  115.289   5.5353 7.824722 6.389482 
1 1 1    0    9    9 o  561.317   2.8680  2349.48   24.003  2333.36   33.739  2366.01   34.155  559.313   4.0458  563.211   4.0674 -3.898438 5.736936 
1 1 1    0    9   10 o   85.457   2.7658   54.461   3.5240   54.566   5.3460   54.380   4.6862   85.521   4.1927   85.382   3.6812 0.1383820 5.579366 
1 1 1    0    9   11 f  217.112   1.9060  351.487   6.1699  355.919   10.280  348.992   7.7140  218.433   3.1563  216.326   2.3917 2.106842 3.960128 
1 1 1    0    9   12 o  213.724   2.0632  340.655   6.5746  338.186   12.240  341.656   7.7946  212.846   3.8570  214.021   2.4427 -1.175568 4.565382 
1 1 1    0    9   13 o  123.983   2.2634  114.667   4.1840  109.918   6.7974  117.563   5.3088  121.323   3.7578  125.518   2.8368 -4.194542 4.708295 
1 1 1    0    9   14 o   50.361   4.8418   19.147   3.5908   21.711   5.1953   16.802   4.9685   53.381   6.6735   46.729   7.3760 6.651894 9.946871 
1 1 1    0    9   15 o   80.212   3.0640   48.048   3.6644   61.647   7.5115   43.801   4.1978   90.504   5.5940   76.556   3.6776 13.94792 6.694601 
1 1 1    0    9   16 o  260.935   2.1438  508.086   8.3404  534.573   17.711  500.538   9.4543  267.212   4.4455  258.950   2.4487 8.261536 5.075288 
1 1 1    0    9   17 o  133.152   2.4000  132.366   4.7647  146.761   8.7772  126.352   5.6735  139.992   4.2052  130.045   2.9261 9.946274 5.123018 
1 1 1    0    9   18 o  106.669   2.8056   85.064   4.4620   94.176   8.3988   81.481   5.2667  111.886   5.0347  104.331   3.3858 7.555069 6.067245 
1 1 1    0    9   19 o   56.712   4.5434   24.407   3.8095   25.778   7.9924   24.004   4.3334   56.586   9.8298   56.075   5.2439 0.5110855 11.14109 
1 1 1    0    9   20 o   69.293   3.4609   36.183   3.5756   43.501   6.4207   32.893   4.3049   75.060   5.7818   65.707   4.4199 9.353020 7.277691 
1 1 1    0    9   21 o   68.240   4.0304   35.569   4.0825   45.110   6.2602   28.509   5.3851   76.087   5.5568   60.134   6.0903 15.95290 8.244321 
1 1 1    0   10    0 o  137.814   2.8984  141.808   5.9495  141.808   5.9495  141.808   5.9495  137.814   2.8984  137.814   2.8984 0.000000 0.000000 
1 1 1    0   10    1 o  131.984   2.0552  129.893   4.0442  134.136   5.6979  125.584   5.7412  134.109   2.8496  129.761   2.9675 4.347870 4.114156 
1 1 1    0   10    2 o  179.208   2.8050  239.513   7.4949   0.0000   0.0000  239.513   7.4949  ?   ?   179.208   2.8050 0.000000 2.805014 
1 1 1    0   10    3 o  215.553   1.6319  346.416   5.2445  347.958   7.4164  344.873   7.4174  216.021   2.3026  215.061   2.3132 0.9600067 3.263927 
1 1 1    0   10    4 o  132.497   1.6783  130.886   3.3154  129.393   4.6661  132.409   4.7116  131.733   2.3757  133.260   2.3714 -1.526978 3.356672 
1 1 1    0   10    5 o   85.538   3.7421   54.567   4.7724   0.0000   0.0000   54.567   4.7724  ?   ?    85.538   3.7421 0.000000 3.742060 
1 1 1    0   10    6 o  437.950   2.3479  1430.05   15.331  1390.73   21.206  1473.11   22.190  431.857   3.2934  444.462   3.3486 -12.60507 4.696736 
1 1 1    0   10    7 o  494.301   2.8101  1821.85   20.710  1823.56   32.961  1820.75   26.622  494.452   4.4710  494.116   3.6136 0.3353577 5.748693 
1 1 1    0   10    8 o  188.805   2.2703  265.786   6.3909  278.680   8.5035  249.049   9.6882  193.320   2.9502  182.743   3.5558 10.57710 4.620295 
1 1 1    0   10    9 o  109.652   2.6639   89.658   4.3551   85.849   6.0310   93.809   6.2956  107.284   3.7704  112.147   3.7651 -4.863235 5.328402 
1 1 1    0   10   10 o  195.676   2.1700  285.511   6.3310  274.237   8.8358  297.406   9.0760  191.750   3.0906  199.688   3.0484 -7.937057 4.340999 
1 1 1    0   10   11 o  174.459   2.4839  226.998   6.4610  244.106   10.790  217.436   8.0671  180.848   4.0016  170.720   3.1693 10.12759 5.104644 
1 1 1    0   10   12 o  184.861   2.4598  254.917   6.7796  253.050   10.827  256.121   8.6956  184.094   3.9444  185.260   3.1481 -1.166901 5.046684 
1 1 1    0   10   13 o  439.539   2.6039  1441.52   17.064  1432.54   24.157  1450.46   24.108  437.970   3.6994  440.707   3.6690 -2.737579 5.210284 
1 1 1    0   10   14 o   70.578   3.8841   37.338   4.0715   37.005   5.7171   37.681   5.7998   70.068   5.5171   70.704   5.5462 -0.6365585 7.822956 
1 1 1    0   10   15 o  228.899   2.4047  391.043   8.2068  379.339   11.634  402.636   11.579  225.310   3.4631  232.144   3.3453 -6.834015 4.814991 
1 1 1    0   10   16 o  243.572   2.5225  442.916   9.1609  462.610   16.620  434.322   10.979  248.541   4.4850  241.116   3.0541 7.424881 5.426085 
1 1 1    0   10   17 o  179.105   2.4876  239.553   6.6428  260.236   10.596  226.160   8.5264  186.462   3.8114  173.915   3.2882 12.54677 5.033809 
1 1 1    0   10   18 o  194.050   2.4470  281.388   7.0799  279.783   10.972  282.532   9.2675  193.168   3.8095  194.280   3.1994 -1.111862 4.974789 
1 1 1    0   10   19 o  102.822   3.3444   79.378   5.1272   82.239   9.0975   78.046   6.2068  103.727   5.9069  101.778   4.0902 1.949394 7.184748 
1 1 1    0   10   20 o   27.329   7.7331   6.0689   3.2926   3.3299   5.7043   7.4374   4.0322   25.158   10.056   30.065   8.5751 -4.907686 13.21566 
1 1 1    0   10   21 o   36.102   6.9505   10.668   3.6055   9.6100   5.5050   11.462   4.7712   33.121   10.170   36.576   8.8458 -3.454868 13.47897 
1 1 1    0   11    0 o  475.662   6.0796  1688.80   43.101  1688.80   43.101  1688.80   43.101  475.662   6.0796  475.662   6.0796 0.000000 0.000000 
1 1 1    0   11    1 o  137.037   1.8428  140.016   3.7652  141.218   6.0273  139.248   4.8218  137.609   2.9377  136.654   2.3665 0.9548645 3.772313 
1 1 1    0   11    2 o  171.277   1.6043  218.715   4.0970  212.628   5.5978  225.738   6.0124  168.869   2.2233  173.996   2.3176 -5.126938 3.211606 
1 1 1    0   11    3 o  227.917   1.6785  387.289   5.7038  380.179   7.9266  394.923   8.2138  225.806   2.3544  230.142   2.3938 -4.336288 3.357570 
1 1 1    0   11    4 o  414.609   2.6896  1281.77   16.626  1277.15   23.173  1286.67   23.868  413.821   3.7558  415.355   3.8541 -1.534027 5.381484 
1 1 1    0   11    5 o  190.909   1.7646  271.725   5.0229  265.953   6.9873  277.898   7.2255  188.863   2.4814  193.057   2.5102 -4.194290 3.529653 
1 1 1    0   11    6 o  313.042   2.0089  730.620   9.3762  708.927   13.063  753.671   13.466  308.343   2.8415  317.924   2.8409 -9.581604 4.018002 
1 1 1    0   11    7 o  397.961   2.4883  1180.87   14.764  1191.97   19.407  1165.62   22.749  399.800   3.2557  395.331   3.8595 4.468597 5.049256 
1 1 1    0   11    8 o  303.198   2.1228  685.423   9.5964  713.614   14.050  660.769   13.139  309.346   3.0462  297.674   2.9604 11.67181 4.247680 
1 1 1    0   11    9 f  223.332   2.3212  371.915   7.7293  375.060   10.066  367.397   12.065  224.256   3.0106  221.934   3.6462 2.322845 4.728460 
1 1 1    0   11   10 o  292.023   2.0204  635.888   8.7968  651.560   16.524  629.690   10.392  295.510   3.7505  290.581   2.3985 4.928711 4.451837 
1 1 1    0   11   11 o   79.040   2.7936   46.604   3.2922   44.861   5.4392   47.612   4.1359   77.356   4.7389   79.876   3.4728 -2.520302 5.875135 
1 1 1    0   11   12 o   82.813   2.9186   51.175   3.6037   55.683   5.7749   48.301   4.6118   86.207   4.5086   80.425   3.8461 5.782814 5.926194 
1 1 1    0   11   13 o  275.166   1.9796  564.771   8.1218  558.447   13.230  568.595   10.289  273.491   3.2445  276.050   2.4998 -2.558441 4.095821 
1 1 1    0   11   14 o  170.939   2.1182  218.004   5.3985  228.212   9.1698  212.589   6.6785  174.774   3.5190  168.765   2.6542 6.009232 4.407683 
1 1 1    0   11   15 o  108.961   2.6701   88.641   4.3378   85.665   7.1057   90.410   5.4768  106.974   4.4551  109.996   3.3395 -3.022705 5.567804 
1 1 1    0   11   16 f  100.484   2.9200   75.425   4.3747   76.970   7.4537   74.613   5.4031  101.316   4.9343   99.886   3.6280 1.430153 6.124530 
1 1 1    0   11   17 o   79.143   3.9051   46.911   4.6080   44.552   6.9497   48.762   6.1558   76.630   6.1341   80.388   5.1633 -3.757774 8.017899 
1 1 1    0   11   18 o   49.358   4.9365   18.537   3.5842   19.566   6.5180   18.091   4.2912   49.599   9.1511   48.505   6.0663 1.094322 10.97918 
1 1 1    0   11   19 o   22.325   7.9084   3.4607   3.2943   2.1743   6.4704   3.9108   3.8275   25.343   10.490   23.793   8.5142 1.550068 13.51006 
1 1 1    0   11   20 o   88.344   3.3106   58.879   4.3607   63.874   6.9021   55.560   5.6257   91.151   5.0991   85.310   4.4382 5.840195 6.760095 
1 1 1    0   11   21 o   57.508   4.4717   25.562   3.8040   23.385   5.7817   27.223   5.0514   53.352   7.4734   58.636   5.8564 -5.284016 9.494661 
1 1 1    0   12    0 o  246.761   2.4530  454.111   9.0229  454.111   9.0229  454.111   9.0229  246.761   2.4530  246.761   2.4530 0.000000 0.000000 
1 1 1    0   12    1 o  160.831   1.6550  192.850   3.9686  190.636   5.4570  195.337   5.7819  159.899   2.2890  161.857   2.3959 -1.958252 3.313563 
1 1 1    0   12    2 o  116.751   1.8729  101.627   3.2602  108.572   4.7102   95.240   4.5171  120.668   2.6181  113.017   2.6807 7.651505 3.747048 
1 1 1    0   12    3 o   26.584   5.1343   5.4525   1.9614   6.7933   2.7290   4.0197   2.8210   29.603   6.3716   23.333   7.2996 6.269970 9.689213 
1 1 1    0   12    4 o  372.175   2.3133  1032.76   12.837  1024.11   16.307  1046.83   20.815  370.597   2.9512  374.659   3.7262 -4.061554 4.753349 
1 1 1    0   12    5 o  399.835   2.2200  1191.96   13.235  1220.29   19.103  1165.81   18.353  404.530   3.1672  395.399   3.1131 9.131134 4.441027 
1 1 1    0   12    6 o  128.135   2.0589  122.414   3.9335  125.242   5.6676  119.786   5.4637  129.599   2.9331  126.745   2.8912 2.853989 4.118529 
1 1 1    0   12    7 o  654.081   3.4515  3190.56   33.660  3286.37   55.202  3133.86   42.468  663.626   5.5790  648.166   4.3944 15.46008 7.101876 
1 1 1    0   12    8 o  236.318   2.0631  416.394   7.2693  418.138   10.450  414.760   10.118  236.792   2.9600  235.835   2.8776 0.9561310 4.128219 
1 1 1    0   12    9 f  173.869   2.3951  225.432   6.2088  226.965   8.0834  223.226   9.6962  174.441   3.1079  172.979   3.7596 1.462891 4.877879 
1 1 1    0   12   10 o  309.860   1.9075  715.952   8.8126  720.631   14.546  713.238   11.077  310.801   3.1391  309.248   2.4023 1.553101 3.952850 
1 1 1    0   12   11 o   86.640   2.7566   56.002   3.5609   51.039   7.0096   57.729   4.1340   82.411   5.7406   87.955   3.1524 -5.544388 6.549239 
1 1 1    0   12   12 o   75.382   3.0085   42.411   3.3814   41.947   5.1136   42.772   4.5075   74.769   4.6095   75.562   4.0154 -0.7926102 6.113194 
1 1 1    0   12   13 o  244.416   2.2722  445.710   8.2802  455.501   11.935  436.623   11.497  246.982   3.2411  241.816   3.1889 5.165649 4.546786 
1 1 1    0   12   14 o  159.947   2.2768  190.909   5.4296  178.488   10.011  196.085   6.4625  154.453   4.3474  162.070   2.6744 -7.617065 5.104148 
1 1 1    0   12   15 o  111.875   2.7363   93.462   4.5642  105.870   7.4338   85.954   5.7825  118.935   4.1921  107.220   3.6172 11.71568 5.536897 
1 1 1    0   12   16 o   51.272   5.2256   19.936   3.9389   16.219   6.1853   22.471   5.1087   45.320   9.4594   54.245   6.4426 -8.924206 11.44496 
1 1 1    0   12   17 o   41.916   6.5843   13.598   3.9792   12.085   5.6616   15.075   5.5940   38.889   9.7753   43.636   8.8997 -4.746773 13.21971 
1 1 1    0   12   18 o   36.843   6.8466   10.672   3.6225   3.9420   7.7787   12.536   4.0935   29.217   11.720   39.931   7.1377 -10.71408 13.72242 
1 1 1    0   12   19 o   23.743   7.8420   4.2757   3.2259   5.7631   5.6598   3.5600   3.9261   28.411   10.329   23.255   8.5796 5.155834 13.42716 
1 1 1    0   12   20 o   17.356   7.1241   1.0408   2.9520  -4.8606   4.9863   4.2255   3.6630   16.398   7.7491   23.762   8.3470 -7.364155 11.38950 
1 1 1    0   12   21 f   71.898   3.7557   39.574   4.0120   33.946   5.8682   44.513   5.4976   65.182   6.1095   75.579   4.9052 -10.39742 7.835001 
1 1 1    0   13    0 o   59.492   3.9478   26.737   3.4663   26.737   3.4663   26.737   3.4663   59.492   3.9478   59.492   3.9478 0.000000 0.000000 
1 1 1    0   13    1 o  338.240   1.9847  852.983   10.009  844.823   13.991  861.539   14.326  336.599   2.7878  339.912   2.8267 -3.312805 3.970104 
1 1 1    0   13    2 o  478.124   2.4326  1704.49   17.341  1740.20   24.865  1670.67   24.197  483.065   3.4523  473.318   3.4287 9.747559 4.865667 
1 1 1    0   13    3 o  220.822   1.7872  363.550   5.8842  363.010   8.1844  364.127   8.4657  220.649   2.4878  220.987   2.5694 -0.3379669 3.576419 
1 1 1    0   13    4 o  306.845   2.1693  701.997   9.9244  716.263   12.799  680.485   15.717  309.934   2.7697  302.075   3.4896 7.859009 4.455186 
1 1 1    0   13    5 o  205.398   1.8575  314.542   5.6886  320.292   8.1483  309.074   7.9454  207.257   2.6369  203.595   2.6174 3.661407 3.715374 
1 1 1    0   13    6 o  459.415   2.6649  1573.80   18.254  1593.28   24.094  1547.54   27.968  462.213   3.4962  455.496   4.1181 6.716858 5.402084 
1 1 1    0   13    7 o  299.698   2.3116  669.717   10.329  677.612   16.857  664.970   13.071  301.411   3.7510  298.616   2.9357 2.795166 4.763208 
1 1 1    0   13    8 o  249.497   2.0688  464.148   7.6956  461.920   11.062  466.238   10.713  248.870   2.9812  250.035   2.8737 -1.164337 4.140723 
1 1 1    0   13    9 o  307.397   2.3454  704.678   10.749  695.502   16.743  711.112   14.020  305.312   3.6782  308.760   3.0455 -3.448700 4.775370 
1 1 1    0   13   10 o  187.354   2.1537  261.782   6.0161  263.997   8.6427  259.699   8.3795  188.106   3.0816  186.572   3.0123 1.534210 4.309327 
1 1 1    0   13   11 o   98.205   2.5575   71.950   3.7447   62.847   6.9569   75.664   4.4433   91.538   5.1179  100.694   2.9596 -9.156578 5.911994 
1 1 1    0   13   12 o   64.039   3.3177   30.703   3.1569   28.238   5.1527   32.183   3.9943   61.139   5.7189   65.497   4.1111 -4.357986 7.043244 
1 1 1    0   13   13 o  172.075   2.3620  220.951   6.0600  227.658   8.6374  214.448   8.5045  174.585   3.3182  169.439   3.3664 5.145508 4.726870 
1 1 1    0   13   14 o  147.161   2.2456  161.615   4.9271  165.609   8.3869  159.510   6.0885  148.824   3.7797  146.157   2.7940 2.666809 4.700268 
1 1 1    0   13   15 o  212.757   2.2925  337.873   7.2722  346.717   14.045  334.634   8.5003  215.165   4.3782  211.684   2.6932 3.481033 5.140237 
1 1 1    0   13   16 o   67.741   3.9226   34.472   3.9448   45.622   6.5016   27.975   4.9628   77.678   5.6525   60.750   5.5400 16.92838 7.914692 
1 1 1    0   13   17 o   67.764   3.9513   34.557   3.9749   23.224   6.4809   41.390   5.0325   54.539   8.2257   74.071   4.5793 -19.53188 9.414427 
1 1 1    0   13   18 o   17.492   7.3827   0.3638   3.3004   8.6629   6.1443  -3.0018   3.9127   33.213   10.816   15.525   7.1790 17.68748 12.98135 
1 1 1    0   13   19 o   47.381   4.7764   17.256   3.3282   11.710   5.8202   19.950   4.0569   37.205   10.192   50.762   5.4453 -13.55724 11.55507 
1 1 1    0   13   20 o   14.909   6.6726  -0.9809   3.0498  -0.2058   4.9020  -1.4703   3.8956   19.780   8.6740   16.497   7.4488 3.282406 11.43336 
1 1 1    0   14    0 o  122.306   2.8442  111.709   5.1803  111.709   5.1803  111.709   5.1803  122.306   2.8442  122.306   2.8442 0.000000 0.000000 
1 1 1    0   14    1 o  545.401   2.9170  2218.08   23.720  2237.40   31.144  2191.40   36.605  547.723   3.8136  542.017   4.5296 5.705383 5.921231 
1 1 1    0   14    2 o  358.503   2.0969  958.256   11.209  950.492   15.586  966.574   16.131  357.027   2.9279  360.032   3.0050 -3.005402 4.195579 
1 1 1    0   14    3 o  133.917   2.1680  133.712   4.3288  135.142   5.3588  131.028   7.3435  134.626   2.6697  132.548   3.7158 2.077988 4.575475 
1 1 1    0   14    4 o  356.522   2.3225  947.725   12.346  954.165   15.876  937.873   19.636  357.712   2.9766  354.619   3.7139 3.093201 4.759536 
1 1 1    0   14    5 o  491.239   2.7630  1799.43   20.237  1817.24   26.668  1775.24   31.072  493.621   3.6235  487.842   4.2719 5.779175 5.601698 
1 1 1    0   14    6 o  381.557   2.4638  1085.56   14.016  1137.80   23.172  1055.42   17.601  390.561   3.9792  376.197   3.1381 14.36417 5.067727 
1 1 1    0   14    7 o  170.651   2.3280  217.151   5.9233  222.206   9.7488  214.193   7.4577  172.591   3.7885  169.472   2.9514 3.119217 4.802449 
1 1 1    0   14    8 o  433.820   2.4468  1403.49   15.826  1415.15   22.676  1392.41   22.098  435.540   3.4919  432.032   3.4306 3.508453 4.895163 
1 1 1    0   14    9 o  167.899   2.4024  210.248   6.0141  216.753   7.8685  201.109   9.3268  170.452   3.0961  164.154   3.8107 6.297470 4.909966 
1 1 1    0   14   10 o  206.252   2.1310  317.277   6.5531  305.959   9.3175  328.356   9.2184  202.488   3.0862  209.777   2.9473 -7.289642 4.267491 
1 1 1    0   14   11 o  145.633   2.2974  158.220   4.9885  172.195   9.4230  152.779   5.8800  151.808   4.1632  143.085   2.7562 8.723221 4.992861 
1 1 1    0   14   12 o  133.863   2.1225  133.683   4.2361  133.506   7.1321  133.779   5.2655  133.686   3.5782  133.885   2.6378 -0.1990356 4.445370 
1 1 1    0   14   13 o  115.402   2.3547   99.388   4.0515   94.068   6.3923  102.960   5.2380  112.173   3.8221  117.419   2.9920 -5.245872 4.853866 
1 1 1    0   14   14 o   55.755   4.1297   23.390   3.4086   31.261   5.8304   19.303   4.2013   64.191   6.1678   50.387   5.6922 13.80425 8.393074 
1 1 1    0   14   15 o  155.545   2.4545  180.644   5.6924  168.539   10.935  185.143   6.6669  149.900   4.8929  157.429   2.8403 -7.529282 5.657520 
1 1 1    0   14   16 o  152.764   2.4364  174.301   5.5492  175.547   9.2085  173.590   6.9536  153.058   4.0352  152.369   3.0609 0.6886292 5.064752 
1 1 1    0   14   17 o   34.197   7.3795   9.2590   3.6522   8.5957   5.9963   9.6502   4.6049   33.305   10.670   34.714   8.8656 -1.408752 13.87252 
1 1 1    0   14   18 o  102.992   2.9124   79.550   4.4723   78.283   7.5548   80.233   5.5491  101.587   4.9879  103.271   3.6039 -1.683594 6.153613 
1 1 1    0   14   19 o   29.577   7.2643   7.1467   3.1801  -0.2356   5.6457   10.578   3.8488   21.321   9.3304   36.045   7.4092 -14.72386 11.91436 
1 1 1    0   14   20 o   47.315   5.6725   17.713   3.9219   19.857   5.7146   15.805   5.3924   48.742   8.1513   43.058   8.6989 5.683781 11.92119 
1 1 1    0   15    0 o  249.892   2.7007  465.738   10.060  465.738   10.060  465.738   10.060  249.892   2.7007  249.892   2.7007 0.000000 0.000000 
1 1 1    0   15    1 o  332.762   2.0569  825.586   10.205  827.155   14.345  823.978   14.521  333.057   2.8889  332.415   2.9299 0.6415710 4.114554 
1 1 1    0   15    2 o   77.812   2.6683   45.147   3.0957   44.709   4.0955   45.730   4.7282   77.427   3.5477   78.196   4.0696 -0.7685471 5.398848 
1 1 1    0   15    3 o  352.289   2.5455  925.385   13.371  929.002   15.574  915.243   26.077  352.964   2.9593  350.255   4.9934 2.709045 5.804423 
1 1 1    0   15    4 o  390.617   2.2448  1137.67   13.074  1160.90   18.672  1115.34   18.311  394.550   3.1742  386.731   3.1756 7.819153 4.489938 
1 1 1    0   15    5 o  164.922   2.0388  202.799   5.0133  203.238   7.0932  202.361   7.0866  165.088   2.8818  164.731   2.8853 0.3564758 4.077940 
1 1 1    0   15    6 o  230.832   2.2036  397.306   7.5840  395.409   12.028  398.558   9.7712  230.242   3.5037  231.179   2.8349 -0.9364777 4.506948 
1 1 1    0   15    7 o  304.212   2.1102  690.082   9.5713  701.370   13.780  679.560   13.305  306.650   3.0139  301.847   2.9563 4.802582 4.221742 
1 1 1    0   15    8 o   64.334   3.5320   30.975   3.3749   35.508   4.9890   27.151   4.5826   68.782   4.8969   60.071   5.1668 8.711102 7.118638 
1 1 1    0   15    9 o  138.733   2.5087  143.568   5.1892  142.522   6.7126  145.122   8.1805  138.198   3.2578  139.421   3.9353 -1.223068 5.108778 
1 1 1    0   15   10 f  119.115   2.4259  105.849   4.3083  107.090   6.2247  104.708   5.9691  119.766   3.4859  118.432   3.3804 1.334129 4.855791 
1 1 1    0   15   11 o  156.072   2.0725  181.705   4.8226  191.621   7.7196  175.357   6.1762  160.200   3.2319  153.287   2.7024 6.913376 4.212852 
1 1 1    0   15   12 o  102.533   2.4504   78.458   3.7460   75.046   6.2984   80.325   4.6598  100.173   4.2171  103.717   3.0133 -3.544312 5.182998 
1 1 1    0   15   13 o  174.052   2.1971  226.073   5.7015  239.365   11.108  221.319   6.6434  178.856   4.1655  172.178   2.5879 6.677963 4.903944 
1 1 1    0   15   14 o   54.709   4.2485   22.546   3.4383   31.429   5.7572   17.621   4.2868   64.360   6.0713   48.018   6.1273 16.34141 8.625845 
1 1 1    0   15   15 o  168.686   2.4370  212.482   6.1293  204.000   9.5005  218.529   8.0220  165.077   3.8600  170.974   3.1469 -5.896896 4.980236 
1 1 1    0   15   16 o   68.455   3.8846   35.238   3.9485   41.112   6.6786   32.082   4.8957   73.509   6.1502   65.101   5.0842 8.407791 7.979574 
1 1 1    0   15   17 o   59.559   4.3453   26.848   3.8320   30.738   6.6326   24.899   4.6949   62.975   7.1930   57.060   5.5904 5.915253 9.109962 
1 1 1    0   15   18 o   64.104   3.8458   31.121   3.6588   35.572   5.9846   28.464   4.6235   67.830   5.9786   60.920   5.1382 6.910286 7.883227 
1 1 1    0   15   19 o   29.861   8.0927   7.4262   3.6929   16.163   6.8953   3.9123   4.3729   42.827   10.801   23.995   9.0144 18.83186 14.06804 
1 1 1    0   15   20 o   32.312   7.3332   8.7855   3.4519   6.6357   5.1429   10.548   4.6568   28.059   9.8876   34.659   8.9496 -6.600029 13.33637 
1 1 1    0   16    0 o  251.471   2.8078  471.665   10.524  471.665   10.524  471.665   10.524  251.471   2.8078  251.471   2.8078 0.000000 0.000000 
1 1 1    0   16    1 o  745.687   3.4627  4146.84   38.499  4105.41   53.781  4190.38   55.135  741.817   4.8625  749.446   4.9342 -7.629456 6.927515 
1 1 1    0   16    2 o   94.225   2.8825   66.207   4.0496   69.892   4.9077   58.344   7.1687   96.806   3.4002   88.250   5.4752 8.555946 6.445111 
1 1 1    0   16    3 o  183.480   2.2363  251.014   6.1177  253.691   7.5865  246.037   10.345  184.447   2.7587  181.620   3.8202 2.827271 4.712178 
1 1 1    0   16    4 o  325.480   2.1189  789.890   10.282  808.464   14.663  771.918   14.423  329.255   2.9869  321.726   3.0069 7.528625 4.238216 
1 1 1    0   16    5 o  440.815   2.4243  1449.01   15.934  1440.89   22.483  1457.21   22.584  439.517   3.4309  442.000   3.4270 -2.482605 4.849288 
1 1 1    0   16    6 o  334.872   2.1451  836.205   10.710  849.536   15.397  823.706   14.908  337.486   3.0598  332.318   3.0089 5.167084 4.291362 
1 1 1    0   16    7 o  222.216   2.1805  368.247   7.2243  379.986   11.350  360.252   9.3666  225.678   3.3732  219.764   2.8586 5.913269 4.421592 
1 1 1    0   16    8 o  169.856   2.3245  215.187   5.8867  214.201   7.5938  216.672   9.3187  169.439   3.0059  170.379   3.6683 -0.9401245 4.742587 
1 1 1    0   16    9 o  361.224   2.5374  973.459   13.666  962.605   17.522  990.313   21.835  359.116   3.2725  364.133   4.0218 -5.016693 5.184969 
1 1 1    0   16   10 o  202.901   2.3099  307.142   6.9879  306.227   9.3704  308.290   10.489  202.536   3.1030  203.183   3.4623 -0.6469879 4.649293 
1 1 1    0   16   11 o  169.714   2.2348  214.903   5.6550  221.601   8.2637  209.004   7.7553  172.259   3.2175  167.302   3.1091 4.957809 4.474221 
1 1 1    0   16   12 o  126.416   2.2158  119.254   4.1764  121.732   6.8737  117.804   5.2583  127.617   3.6125  125.607   2.8078 2.010002 4.575346 
1 1 1    0   16   13 o   78.546   3.0416   46.094   3.5621   48.010   5.9260   45.010   4.4572   79.859   5.0022   77.566   3.8541 2.293442 6.314763 
1 1 1    0   16   14 o  102.909   2.7211   79.105   4.1751   80.286   7.0480   78.467   5.1823  103.489   4.5677  102.437   3.3931 1.052055 5.690087 
1 1 1    0   16   15 o  141.848   2.4142  150.276   5.1058  148.016   8.4990  151.552   6.3868  140.542   4.0559  142.377   3.0087 -1.834702 5.050005 
1 1 1    0   16   16 o   69.131   3.8434   35.962   3.9458   30.263   6.8619   38.778   4.8229   62.545   7.5084   71.666   4.5370 -9.120861 8.772750 
1 1 1    0   16   17 o   95.486   3.1948   68.417   4.5483   91.667   9.0495   60.558   5.2611  109.674   5.5522   89.684   3.9345 19.99019 6.804952 
1 1 1    0   16   18 o  107.820   2.7445   87.311   4.4120   94.436   7.7330   83.873   5.3721  111.360   4.6575  105.461   3.4165 5.898949 5.776202 
1 1 1    0   16   19 o   59.290   4.2524   26.999   3.7342   25.465   7.0897   27.588   4.3929   54.944   8.9636   59.612   4.9883 -4.667686 10.25813 
1 1 1    0   17    0 o  443.758   3.4383  1468.60   22.746  1468.60   22.746  1468.60   22.746  443.758   3.4383  443.758   3.4383 0.000000 0.000000 
1 1 1    0   17    1 o  186.250   2.3248  258.660   6.4559  260.016   8.0005  256.128   10.931  186.727   2.8737  185.298   3.9564 1.429337 4.889929 
1 1 1    0   17    2 o   88.386   3.2081   58.264   4.2276   64.000   5.0588   44.982   7.6978   92.629   3.6630   77.311   6.7456 15.31741 7.676010 
1 1 1    0   17    3 o  232.556   2.0111  403.250   6.9734  406.437   9.5604  399.628   10.194  233.454   2.7466  231.484   2.9535 1.970169 4.033276 
1 1 1    0   17    4 o  277.869   2.0520  575.723   8.5014  588.121   12.049  563.435   11.996  280.815   2.8779  274.856   2.9274 5.958801 4.105086 
1 1 1    0   17    5 o  267.482   2.0507  533.505   8.1782  534.875   11.566  532.136   11.565  267.791   2.8969  267.104   2.9040 0.6868591 4.101840 
1 1 1    0   17    6 o  319.730   2.5750  762.463   12.275  774.510   24.359  758.362   14.212  322.022   5.0734  318.842   2.9895 3.179077 5.888700 
1 1 1    0   17    7 o  185.128   2.0735  255.597   5.7234  267.149   8.2596  244.926   7.9381  189.229   2.9275  181.187   2.9385 8.041901 4.147894 
1 1 1    0   17    8 o   99.373   2.8881   73.686   4.2791   76.192   5.5401   69.980   6.7371  101.018   3.6783   96.768   4.6695 4.250313 5.944271 
1 1 1    0   17    9 o  147.051   2.3920  161.331   5.2444  162.967   7.0777  159.340   7.8098  147.747   3.2129  146.068   3.5860 1.679138 4.814821 
1 1 1    0   17   10 o  198.545   2.1500  294.096   6.3647  298.405   9.2738  290.259   8.7510  199.911   3.1114  197.177   2.9767 2.734192 4.305954 
1 1 1    0   17   11 o  126.982   2.7158  120.379   5.1418  123.806   8.7092  118.545   6.3705  128.612   4.5418  125.961   3.3921 2.651176 5.668701 
1 1 1    0   17   12 o  132.508   2.3166  131.055   4.5767  135.938   8.6155  129.136   5.4020  134.753   4.2882  131.500   2.7552 3.252625 5.097033 
1 1 1    0   17   13 o   39.569   5.6670   12.003   3.2479   9.2957   5.3123   13.619   4.1044   34.446   9.8489   41.976   6.7900 -7.529251 11.96266 
1 1 1    0   17   14 o   64.674   3.8378   31.425   3.6842   31.508   6.1989   31.380   4.5810   64.287   6.5592   64.487   4.7988 -0.2000809 8.127189 
1 1 1    0   17   15 o   75.367   3.4779   42.533   3.9081   45.663   6.6363   40.870   4.8356   77.584   5.7784   73.649   4.4242 3.934593 7.277569 
1 1 1    0   17   16 o   53.258   4.7889   21.561   3.7620   21.011   6.4725   21.842   4.6232   51.449   8.7510   53.340   5.9126 -1.891109 10.56122 
1 1 1    0   17   17 o   78.284   3.8867   46.229   4.5366   56.080   6.7447   38.090   6.1306   85.637   5.3086   70.297   5.9039 15.33990 7.939606 
1 1 1    0   17   18 o   69.414   3.5483   36.540   3.6601   49.205   6.1166   29.476   4.5681   79.854   5.1651   61.798   5.0008 18.05683 7.189268 
1 1 1    0   17   19 o   13.079   6.2018  -3.4410   3.2465  -5.7957   5.4752  -2.1642   4.0317   16.605   7.9246   16.056   7.3748 0.5484314 10.82533 
1 1 1    0   18    0 o  723.712   4.8238  3907.17   52.045  3907.17   52.045  3907.17   52.045  723.712   4.8238  723.712   4.8238 0.000000 0.000000 
1 1 1    0   18    1 o  382.078   2.2810  1088.58   12.994  1091.11   18.203  1085.96   18.555  382.471   3.1920  381.563   3.2616 0.9085388 4.563650 
1 1 1    0   18    2 o  214.795   2.1598  344.031   6.9168  362.703   10.141  327.787   9.4585  220.517   3.0843  209.636   3.0261 10.88060 4.320903 
1 1 1    0   18    3 f  398.166   2.3132  1182.25   13.732  1173.67   19.062  1191.51   19.800  396.658   3.2232  399.654   3.3228 -2.996216 4.629252 
1 1 1    0   18    4 o  103.368   2.5740   79.691   3.9670   77.349   5.4042   82.429   5.8417  101.817   3.5599  105.103   3.7278 -3.285980 5.154555 
1 1 1    0   18    5 o  267.557   2.2747  533.887   9.0744  542.662   14.703  528.488   11.533  269.659   3.6569  266.166   2.9062 3.493164 4.671070 
1 1 1    0   18    6 o  257.689   2.2695  495.271   8.7196  498.501   14.060  493.252   11.115  258.428   3.6491  257.123   2.8994 1.304626 4.660714 
1 1 1    0   18    7 o   55.315   3.8363   22.958   3.1443   20.014   4.3498   26.180   4.5505   51.395   5.7765   58.938   5.2328 -7.542683 7.794292 
1 1 1    0   18    8 o  244.987   2.0862  447.701   7.6204  447.295   10.779  448.107   10.774  244.801   2.9533  245.024   2.9493 -0.2226257 4.173726 
1 1 1    0   18    9 o  133.028   2.2928  132.037   4.5476  133.128   6.5341  131.012   6.3332  133.516   3.2823  132.456   3.2069 1.059982 4.588852 
1 1 1    0   18   10 o  201.000   2.3694  301.506   7.1008  323.844   11.926  289.237   8.8383  208.131   3.8431  196.803   3.0121 11.32849 4.882813 
1 1 1    0   18   11 o   79.457   3.5026   47.194   4.1494   39.405   6.9341   51.539   5.1791   72.076   6.5232   82.879   4.2050 -10.80271 7.761047 
1 1 1    0   18   12 o  166.172   2.6042  206.210   6.4521  206.956   8.5474  205.221   9.8374  166.364   3.4459  165.580   3.9848 0.7835846 5.268066 
1 1 1    0   18   13 o  124.220   2.8377  115.298   5.2557  124.290   7.6000  107.056   7.2759  128.834   3.9565  119.551   4.0819 9.282372 5.684697 
1 1 1    0   18   14 o   92.542   2.9851   64.033   4.1188   65.830   6.5270   62.844   5.3094   93.631   4.6754   91.585   3.8882 2.046532 6.080956 
1 1 1    0   18   15 o  126.324   2.6080  119.318   4.9121  118.628   8.2969  119.690   6.0951  125.608   4.4303  126.420   3.2337 -0.8126755 5.484882 
1 1 1    0   18   16 f   64.082   5.0844   31.297   4.8180   33.890   7.5574   29.522   6.2536   65.741   7.8664   61.653   6.9228 4.088669 10.47878 
1 1 1    0   18   17 o   34.079   7.6741   9.4718   3.8054   11.554   5.6010   7.6865   5.1863   36.981   9.9430   30.742   9.9309 6.239508 14.05299 
1 1 1    0   18   18 o   26.816   8.2874   5.9473   3.6487   5.7860   6.2289   6.0316   4.5019   28.081   10.710   27.270   9.2676 0.8119812 14.16313 
1 1 1    0   18   19 o   21.582   8.0586   3.3615   3.4844   3.5153   6.6500   3.3033   4.0909   25.210   10.551   22.185   8.6220 3.024359 13.62548 
1 1 1    0   19    0 o  371.869   3.1995  1031.46   17.737  1031.46   17.737  1031.46   17.737  371.869   3.1995  371.869   3.1995 0.000000 0.000000 
1 1 1    0   19    1 o  293.601   2.1047  642.820   9.2133  662.942   13.093  623.084   12.967  298.117   2.9457  289.013   3.0092 9.104553 4.210974 
1 1 1    0   19    2 o  159.616   2.2628  190.002   5.3851  195.771   7.6229  184.255   7.6085  161.993   3.1561  157.153   3.2472 4.839920 4.528267 
1 1 1    0   19    3 o  360.322   2.4014  968.329   12.901  955.165   19.143  979.282   17.462  357.763   3.5888  362.287   3.2328 -4.523621 4.830185 
1 1 1    0   19    4 o  175.200   2.0739  228.916   5.4174  231.653   7.4390  225.825   7.9050  176.215   2.8314  173.974   3.0475 2.240906 4.159853 
1 1 1    0   19    5 o  274.652   2.0758  562.601   8.5004  561.951   11.928  563.272   12.116  274.434   2.9152  274.753   2.9578 -0.3188782 4.152949 
1 1 1    0   19    6 o  182.357   2.0592  248.033   5.5989  243.447   7.8116  252.878   8.0289  180.617   2.9007  184.081   2.9253 -3.463821 4.119696 
1 1 1    0   19    7 o   23.202   7.1947   4.0221   2.7473   4.7645   3.7554   3.1673   4.0296   25.716   8.4596   23.360   8.6773 2.355867 12.11859 
1 1 1    0   19    8 o   45.841   4.5959   15.877   3.0989   15.343   4.3240   16.440   4.4434   44.719   6.6907   46.335   6.6202 -1.615444 9.412308 
1 1 1    0   19    9 o  210.097   2.1412  329.353   6.7074  325.984   9.5641  332.614   9.4092  208.924   3.0703  211.047   2.9902 -2.123581 4.285828 
1 1 1    0   19   10 o  185.963   2.4108  258.136   6.6844  247.328   10.932  264.591   8.4477  181.819   4.0325  188.206   3.0105 -6.386978 5.032334 
1 1 1    0   19   11 o   84.835   3.6703   53.837   4.6424   64.073   10.105   51.098   5.2267   91.773   7.4491   82.491   4.2642 9.282219 8.583264 
1 1 1    0   19   12 o   98.043   3.2989   71.881   4.8223   68.867   6.3017   76.140   7.4909   95.849   4.4096  100.706   4.9890 -4.857208 6.658414 
1 1 1    0   19   13 o  204.751   2.6712  313.238   8.1546  302.497   10.494  329.608   12.955  201.048   3.5009  209.701   4.1435 -8.653534 5.424527 
1 1 1    0   19   14 o   92.697   3.0306   64.287   4.1886   65.163   6.8699   63.769   5.2844   92.916   4.9770   92.222   3.8431 0.6936646 6.288112 
1 1 1    0   19   15 o  140.214   2.5887  147.089   5.4117  135.800   10.337  151.351   6.3518  134.011   5.1733  142.145   2.9971 -8.133774 5.978783 
1 1 1    0   19   16 o   47.816   5.9428   17.763   4.1454   19.120   5.9552   16.487   5.7740   48.674   8.5160   44.961   8.9281 3.713028 12.33826 
1 1 1    0   19   17 o   43.118   5.9583   14.671   3.7281   16.575   5.5632   13.119   5.0229   44.623   8.6741   39.556   8.7489 5.066895 12.32004 
1 1 1    0   19   18 o   31.510   7.6200   8.3809   3.5406   4.9352   6.4367   9.8759   4.2397   26.887   10.703   33.887   8.4268 -7.000200 13.62224 
1 1 1    0   20    0 o  603.024   4.2434  2713.23   38.148  2713.23   38.148  2713.23   38.148  603.024   4.2434  603.024   4.2434 0.000000 0.000000 
1 1 1    0   20    1 o  138.803   2.2796  143.697   4.7177  141.331   6.3396  146.633   7.0625  137.627   3.0895  140.173   3.3793 -2.545410 4.578730 
1 1 1    0   20    2 o   80.142   3.1247   47.927   3.7338   49.109   4.6580   45.804   6.2450   81.104   3.8520   78.088   5.3970 3.016434 6.630640 
1 1 1    0   20    3 o   95.879   2.6361   68.582   3.7684   68.315   4.9419   68.952   5.8250   95.667   3.4647   96.089   4.0659 -0.4220734 5.341836 
1 1 1    0   20    4 o  259.884   2.0878  503.758   8.0900  501.823   11.136  505.920   11.772  259.324   2.8802  260.366   3.0325 -1.042603 4.182318 
1 1 1    0   20    5 o  116.018   2.6568  100.438   4.5957  103.725   7.2338   98.215   5.9509  117.823   4.1178  114.688   3.4801 3.135124 5.391453 
1 1 1    0   20    6 o   56.194   3.8232   23.702   3.1842   22.284   4.0905   25.883   5.0727   54.328   5.1099   58.476   5.8988 -4.148220 7.804282 
1 1 1    0   20    7 o  115.417   2.6565   99.428   4.5714  102.345   5.8197   94.730   7.3867  117.056   3.3346  112.537   4.4024 4.519051 5.522678 
1 1 1    0   20    8 o  107.631   2.7751   86.491   4.4533   93.104   5.7608   76.672   7.0200  111.623   3.4615  101.200   4.6525 10.42323 5.798921 
1 1 1    0   20    9 o   79.789   3.0357   47.557   3.6113   40.048   4.9490   56.110   5.2817   72.983   4.5711   86.595   4.0908 -13.61128 6.134274 
1 1 1    0   20   10 o  188.148   2.3806  264.282   6.6780  270.464   10.767  260.417   8.5133  190.124   3.7983  186.680   3.0587 3.444611 4.876736 
1 1 1    0   20   11 o   65.891   3.6792   32.592   3.6000   32.847   5.3223   32.376   4.8878   65.876   5.4682   65.473   5.0460 0.4038239 7.440624 
1 1 1    0   20   12 o  138.816   2.5774  143.952   5.3344  152.037   7.7993  136.846   7.3121  142.508   3.6707  135.208   3.6272 7.300049 5.160459 
1 1 1    0   20   13 o  106.231   3.1925   84.442   5.0566   85.109   7.0806   83.747   7.2237  106.462   4.4607  105.584   4.5887 0.8777390 6.399569 
1 1 1    0   20   14 o   49.932   5.3185   19.041   3.8986   23.598   7.4661   17.332   4.5713   54.392   9.5550   47.285   6.6692 7.106544 11.65228 
1 1 1    0   20   15 f   63.998   4.5729   31.110   4.3347   43.506   10.418   28.515   4.7669   73.587   9.7340   61.063   5.2881 12.52414 11.07768 
1 1 1    0   20   16 o   59.935   4.1078   27.351   3.6486   35.395   6.2425   23.178   4.4966   67.328   6.2915   54.652   5.5973 12.67614 8.420957 
1 1 1    0   20   17 o   75.492   3.4690   43.208   3.9046   46.825   6.0145   40.574   5.1333   77.612   5.2280   72.471   4.7776 5.140739 7.082161 
1 1 1    0   20   18 o   43.714   5.2005   15.160   3.3230   19.669   5.6364   12.758   4.1140   47.945   8.1780   38.917   7.3597 9.028301 11.00202 
1 1 1    0   21    0 o   81.086   4.3702   49.490   5.2484   49.490   5.2484   49.490   5.2484   81.086   4.3702   81.086   4.3702 0.000000 0.000000 
1 1 1    0   21    1 o  235.742   2.0875  414.523   7.3372  394.798   9.8624  438.972   10.980  230.008   2.8759  242.520   3.0366 -12.51210 4.182266 
1 1 1    0   21    2 o  135.132   2.2809  136.224   4.5955  145.348   6.2068  125.153   6.8368  139.551   2.9831  129.463   3.5419 10.08829 4.630744 
1 1 1    0   21    3 o  276.794   2.1022  571.505   8.6756  572.986   11.918  569.836   12.654  277.077   2.8848  276.293   3.0717 0.7841797 4.213976 
1 1 1    0   21    4 o  317.946   2.4247  754.282   11.494  772.301   18.104  742.114   14.877  321.516   3.7766  315.272   3.1650 6.244690 4.927451 
1 1 1    0   21    5 o   75.912   3.6504   43.056   4.1316   44.366   6.0822   41.933   5.6300   76.777   5.3466   74.667   5.0876 2.110344 7.380335 
1 1 1    0   21    6 o   69.406   3.2309   35.981   3.3434   33.607   4.4884   38.939   5.0113   66.864   4.5290   71.975   4.6956 -5.111366 6.523813 
1 1 1    0   21    7 o   99.264   2.9003   73.583   4.2924   74.728   5.2952   71.388   7.3304   99.991   3.5518   97.471   5.0615 2.519257 6.183339 
1 1 1    0   21    8 o  223.842   2.3516  374.004   7.8484  378.798   10.020  366.394   12.625  225.184   2.9844  221.321   3.8259 3.863480 4.852224 
1 1 1    0   21    9 o   31.841   7.0828   7.9516   3.2757   13.268   4.9598   3.8387   4.3624   41.098   8.3784   24.807   9.0603 16.29131 12.34042 
1 1 1    0   21   10 o  117.216   2.5694  102.623   4.4903   97.229   6.3523  108.010   6.3483  113.972   3.7382  120.149   3.5438 -6.176971 5.150974 
1 1 1    0   21   11 o   75.651   3.5586   42.837   4.0139   41.897   5.7144   43.752   5.6394   74.475   5.1784   76.147   4.9949 -1.672173 7.194748 
1 1 1    0   21   12 o  259.049   2.5265  501.409   9.7581  501.437   13.001  501.374   14.768  258.827   3.3689  258.659   3.8293 0.1685486 5.100271 
1 1 1    0   21   13 o   41.166   5.6324   13.036   3.3663   13.070   5.4617   13.016   4.2748   40.355   9.2721   40.730   7.3079 -0.3751678 11.80583 
1 1 1    0   21   14 o   54.181   4.9187   22.374   3.9302   29.516   8.0231   20.119   4.5081   60.865   9.1222   51.067   6.0378 9.797867 10.93929 
1 1 1    0   21   15 o   91.342   3.0441   62.693   4.1457   75.381   7.1877   56.368   5.0749   99.561   4.8420   86.383   3.9403 13.17861 6.242697 
1 1 1    0   21   16 f   71.550   3.4522   38.732   3.6827   44.947   6.4030   35.660   4.5019   75.938   5.6968   68.190   4.4525 7.747993 7.230343 
1 1 1    0   21   17 o   24.384   7.7122   4.9142   3.1404   6.6630   5.1555   3.8825   3.9598   28.142   9.9015   23.085   8.5965 5.057093 13.11260 
1 1 1    0   21   18 o   21.376   7.7582   3.5606   3.1915   3.7451   5.2514   3.4526   4.0187   23.598   9.5719   22.001   8.5470 1.597517 12.83243 
1 1 1    0   22    0 o   44.953   7.5065   16.318   4.6094   16.318   4.6094   16.318   4.6094   44.953   7.5065   44.953   7.5065 0.000000 0.000000 
1 1 1    0   22    1 o  227.279   2.1167  385.368   7.1727  381.666   9.7716  389.694   10.562  226.113   2.8985  228.457   3.1008 -2.343323 4.244495 
1 1 1    0   22    2 o  112.425   2.4810   94.322   4.1588   97.334   5.5222   90.375   6.3213  114.164   3.2442  109.968   3.8554 4.196648 5.038751 
1 1 1    0   22    3 o   44.111   4.9678   14.751   3.2103   10.125   3.8601   25.127   5.7815   36.031   7.4323   57.415   6.8914 -21.38433 10.13556 
1 1 1    0   22    4 o   54.525   3.9999   22.348   3.2290   22.213   4.1323   22.559   5.1745   54.207   5.1758   54.416   6.5070 -0.2081451 8.314377 
1 1 1    0   22    5 o  116.569   2.4149  101.419   4.1971   97.511   5.4947  106.894   6.5031  114.248   3.2257  119.584   3.6473 -5.335899 4.869120 
1 1 1    0   22    6 o  173.815   2.1490  225.453   5.5692  222.967   7.6049  228.327   8.1784  172.776   2.9522  174.818   3.1377 -2.042496 4.308173 
1 1 1    0   22    7 o   20.933   7.4573   2.8489   2.9332   3.6860   3.9285   1.7944   4.4093   23.954   8.6200   21.985   8.8221 1.968870 12.33429 
1 1 1    0   22    8 o   58.003   4.0527   25.314   3.4828   25.673   5.0705   24.993   4.7920   58.113   5.9354   57.378   5.6759 0.7352219 8.212454 
1 1 1    0   22    9 o  121.064   2.4986  109.467   4.5101  112.951   6.5413  106.310   6.2268  122.855   3.5711  119.198   3.5037 3.657585 5.002854 
1 1 1    0   22   10 o   87.565   3.1196   57.343   4.0729   54.141   6.0079   60.067   5.5404   84.773   4.7727   89.511   4.1514 -4.737694 6.325565 
1 1 1    0   22   11 o  116.173   2.9833  100.933   5.1674  104.683   7.1810   96.905   7.4415  118.148   4.0765  113.620   4.3927 4.528404 5.992810 
1 1 1    0   22   12 o   31.811   8.2236   8.0477   3.9290   6.8426   5.7654   9.0927   5.3686   30.627   10.487   33.872   9.9647 -3.245169 14.46649 
1 1 1    0   22   13 o  101.910   2.9724   77.801   4.5164   86.541   7.1117   71.894   5.8468  107.159   4.4511   97.770   4.0109 9.389114 5.991662 
1 1 1    0   22   14 f   26.158   8.2391   5.3523   3.5871  -2.0563   6.7210   8.3031   4.2417   22.041   9.8820   31.924   8.6821 -9.882904 13.15414 
1 1 1    0   22   15 o   70.487   3.6374   37.678   3.8096   42.007   6.2005   35.052   4.8285   73.556   5.6982   67.545   4.8264 6.011398 7.467511 
1 1 1    0   22   16 o  117.487   2.7685  104.112   4.8496   97.887   7.4066  108.783   6.4162  112.924   4.3991  119.616   3.5976 -6.691566 5.682847 
1 1 1    0   22   17 o   61.072   3.9018   28.778   3.5343   34.221   6.0432   25.949   4.3571   64.909   6.3248   57.261   5.1589 7.647465 8.161909 
1 1 1    0   23    0 o   33.728   10.016   10.497   4.3825   10.497   4.3825   10.497   4.3825   33.728   10.016   33.728   10.016 0.000000 0.000000 
1 1 1    0   23    1 f  130.171   2.3620  126.461   4.5842  124.307   6.2023  129.055   6.8057  128.995   3.2248  131.414   3.4735 -2.418579 4.739672 
1 1 1    0   23    2 o   50.822   4.4055   19.475   3.3052   23.402   4.2809   13.681   5.2008   55.631   5.2224   41.775   8.6352 13.85541 10.09159 
1 1 1    0   23    3 o   68.234   3.9589   34.942   4.0103   31.397   5.6222   38.615   5.7221   64.389   5.9227   71.547   5.4039 -7.158051 8.017497 
1 1 1    0   23    4 o  169.360   2.4900  214.128   6.2875  211.895   9.2959  216.010   8.5363  168.332   3.7039  170.004   3.3678 -1.672455 5.006059 
1 1 1    0   23    5 o  203.369   2.1633  308.676   6.5596  297.200   8.6327  324.354   10.090  199.462   2.9028  208.321   3.2485 -8.859070 4.356532 
1 1 1    0   23    6 o  236.035   2.4106  415.968   8.4833  400.324   10.165  451.863   15.398  231.467   2.9455  245.625   4.2045 -14.15822 5.133605 
1 1 1    0   23    7 o  173.404   2.3774  224.526   6.1465  220.029   8.9016  228.623   8.4974  171.499   3.4813  174.853   3.2594 -3.354706 4.768982 
1 1 1    0   23    8 o  127.542   2.4811  121.504   4.7181  115.906   6.4772  127.830   6.8864  124.451   3.4908  130.690   3.5341 -6.238808 4.967415 
1 1 1    0   23    9 o  107.540   3.0283   86.484   4.8555   86.585   7.7126   86.417   6.2494  107.347   4.8188  107.388   3.9031 -0.4074097E-01 6.201249 
1 1 1    0   23   10 o  109.187   3.1295   89.195   5.0946   85.128   8.4043   91.558   6.4058  106.312   5.3021  110.516   3.8876 -4.203766 6.574614 
1 1 1    0   23   11 o   59.283   4.8811   26.638   4.2760   30.623   5.7274   21.620   6.4272   63.303   6.1457   52.443   8.5118 10.86061 10.49857 
1 1 1    0   23   12 o  185.241   2.4833  256.647   6.8585  258.413   9.8912  255.011   9.5183  185.553   3.5753  184.366   3.4627 1.186951 4.977224 
1 1 1    0   23   13 o   55.808   4.5834   23.715   3.7801   18.557   5.8043   27.515   4.9813   48.104   8.3983   59.831   5.6509 -11.72685 10.12253 
1 1 1    0   23   14 o   53.365   4.5312   21.813   3.5712   17.985   5.9032   24.022   4.4849   46.723   8.7967   55.691   5.4720 -8.967621 10.35971 
1 1 1    0   23   15 o   25.573   7.8175   5.3785   3.2567   0.4460   5.1022   8.7700   4.2307   20.717   8.9698   32.070   8.6495 -11.35328 12.46079 
1 1 1    0   23   16 o   40.338   5.7244   13.077   3.3462   7.5575   5.3918   16.535   4.2675   29.284   10.136   44.963   6.5588 -15.67940 12.07292 
1 1 1    0   23   17 o   20.641   7.7739   3.1794   3.2562   6.5285   6.2547   1.9342   3.8138   27.231   10.639   19.496   8.0601 7.734371 13.34767 
1 1 1    0   24    0 o   78.124   4.4719   46.035   5.1699   46.035   5.1699   46.035   5.1699   78.124   4.4719   78.124   4.4719 0.000000 0.000000 
1 1 1    0   24    1 o   42.707   5.2607   13.891   3.2789   17.454   4.2801   8.8283   5.1014   47.785   6.1503   33.631   9.6623 14.15370 11.45368 
1 1 1    0   24    2 o   90.585   3.7699   61.389   5.0916   61.721   6.5904   60.899   8.0193   90.589   4.8975   89.780   6.0258 0.8094940 7.765075 
1 1 1    0   24    3 o  149.473   3.2404  167.011   7.2215  163.169   8.7522  175.206   12.782  147.642   3.9759  152.681   5.6150 -5.038773 6.880151 
1 1 1    0   24    4 o   88.466   2.9177   58.480   3.8484   53.332   4.7647   68.141   6.5272   84.416   3.7857   95.331   4.5922 -10.91544 5.951447 
1 1 1    0   24    5 o   61.728   3.7946   28.632   3.4754   27.666   4.3274   30.387   5.8330   60.523   4.8359   63.182   6.2749 -2.659283 7.922181 
1 1 1    0   24    6 o  181.980   2.7265  247.457   7.3978  237.807   9.0546  266.829   12.830  178.280   3.4064  188.574   4.5631 -10.29410 5.694379 
1 1 1    0   24    7 o   71.161   3.9152   38.058   4.1380   32.033   4.9361   52.306   7.5901   65.067   5.1297   83.012   6.1767 -17.94569 8.029066 
1 1 1    0   24    8 o   72.219   3.6364   39.164   3.9030   39.253   5.2864   39.058   5.7869   72.081   4.9489   71.801   5.4462 0.2804413 7.358866 
1 1 1    0   24    9 o  156.232   2.4427  182.380   5.6899  169.821   7.7988  196.673   8.3200  150.581   3.4737  162.056   3.4434 -11.47478 4.891136 
1 1 1    0   24   10 o  105.136   3.3892   82.815   5.3127   92.085   9.0466   77.935   6.5638  110.417   5.4951  101.832   4.3232 8.585075 6.991869 
1 1 1    0   24   11 o   51.663   6.0718   20.546   4.5878   18.451   6.0126   23.466   7.0980   48.137   8.6976   54.290   9.0903 -6.152843 12.58103 
1 1 1    0   24   12 o   81.563   4.1194   50.294   4.9933   47.841   6.3954   54.124   7.9915   79.130   5.4540   83.795   6.4459 -4.665024 8.443698 
1 1 1    0   24   13 o   71.705   3.7897   38.949   4.0372   39.050   6.4670   38.885   5.1679   70.878   6.1814   71.270   4.8930 -0.3923569 7.883618 
1 1 1    0   24   14 o   57.008   4.5609   25.035   3.8441   24.679   7.2804   25.173   4.5266   53.961   9.3901   56.798   5.4106 -2.837025 10.83740 
1 1 1    0   24   15 o   53.771   5.5455   22.916   4.3821   28.132   5.5623   14.382   7.1149   59.057   6.4204   38.841   11.484 20.21597 13.15704 
1 1 1    0   24   16 o   27.828   7.4514   6.7407   3.1533   5.5581   4.8452   7.6097   4.1532   25.653   9.5178   28.980   8.8215 -3.326868 12.97717 
1 1 1    0   25    0 o  119.113   4.7162  106.543   8.3460  106.543   8.3460  106.543   8.3460  119.113   4.7162  119.113   4.7162 0.000000 0.000000 
1 1 1    0   25    1 o  131.183   4.1034  128.930   8.0259  143.158   17.538  125.161   9.0266  136.818   8.6419  129.154   4.6875 7.664047 9.831337 
1 1 1    0   25    2 o  106.663   3.6236   85.150   5.7626   82.532   7.3390   89.361   9.3060  104.869   4.6938  108.793   5.7576 -3.923355 7.428395 
1 1 1    0   25    3 o  161.859   2.8729  195.810   6.9331  195.903   8.0858  195.551   13.473  161.822   3.3513  161.170   5.6068 0.6524963 6.532024 
1 1 1    0   25    4 o  138.220   2.5326  142.723   5.2192  143.886   6.9602  141.228   7.8890  138.671   3.3664  137.305   3.8536 1.365738 5.116915 
1 1 1    0   25    5 o  163.167   2.3629  198.855   5.7484  190.472   7.3589  211.980   9.2072  159.581   3.0929  168.237   3.6706 -8.655975 4.799900 
1 1 1    0   25    6 o  111.739   2.7242   93.330   4.5385   85.547   5.8401  105.196   7.2115  106.862   3.6654  118.431   4.0840 -11.56902 5.487693 
1 1 1    0   25    7 o   58.075   4.6551   25.510   3.9969   29.434   4.8395   17.093   7.0885   62.291   5.2600   46.050   10.550 16.24002 11.78898 
1 1 1    0   25    8 o   46.649   5.3100   16.613   3.6274   13.998   4.7832   20.154   5.5650   42.160   7.8996   50.889   7.5646 -8.729290 10.93740 
1 1 1    0   25    9 o  132.135   2.6412  130.574   5.2035  117.149   7.0546  146.593   7.7061  124.948   3.7868  139.792   3.6973 -14.84412 5.292435 
1 1 1    0   25   10 o   65.734   4.5026   32.716   4.3864   37.757   7.2549   29.811   5.5069   69.899   7.0580   62.358   5.9971 7.541142 9.261729 
1 1 1    0   25   11 o   61.847   4.5371   29.066   4.1545   21.180   6.0454   36.124   5.7189   51.605   8.1258   68.650   5.6371 -17.04460 9.889683 
1 1 1    0   25   12 f   35.061   9.1814   10.222   4.8564   17.084   6.6790   2.5243   7.0739   45.022   10.188   26.236   10.922 18.78597 14.93611 
1 1 1    0   25   13 o   82.531   3.6414   51.626   4.4808   61.714   8.2038   47.337   5.3492   88.644   6.2471   78.527   4.5888 10.11693 7.751373 
1 1 1    0   25   14 o   34.034   6.8647   9.5876   3.3632   13.943   5.5412   7.0471   4.2318   39.671   9.4949   28.606   8.9391 11.06482 13.04070 
1 1 1    0   25   15 o   51.199   5.4578   20.997   4.1021   18.524   5.5784   23.909   6.0532   45.955   8.4530   52.769   7.9396 -6.814800 11.59702 
1 1 1    0   25   16 o   46.002   5.7914   17.474   3.8842   21.184   5.5109   13.811   5.4755   48.896   7.8231   37.596   9.7027 11.29970 12.46366 
1 1 1    0   26    0 o   28.191   17.725   3.8805   15.622   3.8805   15.622   3.8805   15.622   28.191   17.725   28.191   17.725 0.000000 0.000000 
1 1 1    0   26    1 o  135.862   3.3897  138.167   6.8664  134.679   8.9236  143.228   10.751  133.936   4.4686  137.942   5.2273 -4.006500 6.876990 
1 1 1    0   26    2 o  121.905   2.9645  111.137   5.3883  115.333   6.3810  100.710   10.059  124.116   3.4482  115.372   5.8669 8.743645 6.805159 
1 1 1    0   26    3 o   53.301   4.4872   21.484   3.5328   16.693   4.2703   31.876   6.2887   46.573   6.3123   64.545   6.6289 -17.97165 9.153532 
1 1 1    0   26    4 o  164.204   2.7293  201.577   6.6820  198.703   9.7529  204.120   9.1733  162.759   4.0190  165.033   3.7281 -2.274155 5.481860 
1 1 1    0   26    5 o   61.491   5.6980   28.786   5.1646   27.795   6.2193   30.987   9.2700   60.076   7.0794   62.441   10.318 -2.365662 12.51280 
1 1 1    0   26    6 o  148.220   2.5057  164.203   5.5375  161.271   7.2426  168.329   8.5914  146.749   3.3102  149.807   3.8465 -3.058533 5.074684 
1 1 1    0   26    7 o   97.709   3.2163   71.498   4.6855   70.563   5.8390   73.188   7.8522   96.941   4.0399   98.315   5.3771 -1.374252 6.725627 
1 1 1    0   26    8 o   84.126   4.4173   53.409   5.5212   54.508   7.4377   52.061   8.2400   84.580   5.9355   82.382   6.7683 2.197411 9.002239 
1 1 1    0   26    9 o   59.650   4.4871   26.981   3.9615   25.028   5.5358   29.029   5.6714   56.861   6.6557   61.406   6.2830 -4.545071 9.152793 
1 1 1    0   26   10 o   50.460   5.2501   19.550   3.8921   24.414   5.6633   15.197   5.3578   55.890   6.9460   43.357   8.5919 12.53245 11.04840 
1 1 1    0   26   11 o   48.599   5.8554   18.397   4.1574   17.059   6.5406   19.304   5.3854   45.062   9.9966   49.115   7.5995 -4.053154 12.55722 
1 1 1    0   26   12 o   32.572   8.3938   8.9096   4.1018   7.2463   5.1926   11.670   6.6894   29.659   9.9537   36.346   11.219 -6.687063 14.99843 
1 1 1    0   26   13 o   72.612   5.0153   41.110   5.3963   39.847   7.8589   42.236   7.4229   69.466   7.7183   72.155   6.9873 -2.688988 10.41129 
1 1 1    0   26   14 o   29.611   8.6569   7.8221   4.0631   6.8157   6.5835   8.4413   5.1639   28.293   10.954   30.288   9.9178 -1.995262 14.77675 
1 1 1    0   26   15 o   51.053   4.5928   20.685   3.4585   16.755   5.4579   23.323   4.4708   42.577   8.8848   53.386   5.7051 -10.80831 10.55877 
1 1 1    0   27    1 o   85.557   3.6317   54.868   4.6328   58.067   5.3898   45.821   9.0647   87.949   4.1103   77.001   8.0130 10.94807 9.005738 
1 1 1    0   27    2 o  121.658   2.9383  110.738   5.3297  115.627   6.2331   97.441   10.279  124.246   3.3647  113.287   6.1079 10.95863 6.973361 
1 1 1    0   27    3 o   80.947   3.6280   49.123   4.3786   49.904   4.9646   46.386   9.2903   81.425   4.1026   77.391   8.1751 4.033714 9.146803 
1 1 1    0   27    4 o   25.718   8.1696   5.0106   3.5210   9.2320   4.3074  -3.4907   6.1127   34.004   8.5148   20.184   9.1988 13.82061 12.53475 
1 1 1    0   27    5 o   41.972   6.1988   13.635   3.7624   12.724   4.4968   15.760   6.8695   40.120   7.7985   44.028   10.593 -3.908134 13.15436 
1 1 1    0   27    6 o   45.673   6.3475   16.142   4.2056   17.409   4.7860   11.849   8.8111   47.285   7.0000   38.848   12.966 8.437138 14.73532 
1 1 1    0   27    7 o  123.992   2.7838  115.096   5.1464  114.297   6.7078  116.239   8.0239  123.374   3.6466  124.234   4.3319 -0.8599396 5.662407 
1 1 1    0   27    8 o   53.548   5.6819   22.042   4.4671   22.228   6.6111   21.886   6.0597   52.752   8.7094   52.612   7.9748 0.1397934 11.80898 
1 1 1    0   27    9 o   43.355   7.2534   14.920   4.5230   13.302   7.5805   15.814   5.6362   39.658   11.884   44.062   8.8859 -4.404240 14.83857 
1 1 1    0   27   10 o   93.875   4.8804   67.377   6.8073   71.600   11.116   64.842   8.6108   94.889   7.9296   91.295   6.3658 3.593803 10.16870 
1 1 1    0   27   11 o   38.888   7.5777   12.431   4.2356   21.716   7.1089   7.3205   5.2740   50.351   9.8220   29.759   10.031 20.59238 14.03915 
1 1 1    0   27   12 o   91.073   3.3031   62.958   4.4851   63.208   6.4341   62.723   6.2556   90.249   4.7989   89.989   4.6785 0.2600250 6.702051 
1 1 1    0   27   13 f   45.491   5.5359   16.616   3.6773   11.865   5.2282   21.267   5.1732   35.873   9.5902   50.479   7.0673 -14.60619 11.91293 
1 1 1    0   27   14 o   42.761   5.6276   14.970   3.5008   9.3640   6.5826   17.181   4.1339   30.377   11.124   45.378   6.2782 -15.00116 12.77354 
1 1 1    0   28    0 o   14.652   9.4477   0.0612   4.7835   0.0612   4.7835   0.0612   4.7835   14.652   9.4477   14.652   9.4477 0.000000 0.000000 
1 1 1    0   28    1 o   78.603   3.4165   46.316   4.0040   47.098   5.3012   45.276   6.1094   78.975   4.5209   77.231   5.3384 1.743500 6.995502 
1 1 1    0   28    2 o   82.968   3.3351   51.594   4.1256   51.699   5.2532   51.425   6.6644   82.803   4.2696   82.287   5.4631 0.5154800 6.933569 
1 1 1    0   28    3 o   61.408   4.1712   28.484   3.7964   28.593   4.5748   28.242   6.8039   61.342   5.0468   60.199   7.7613 1.142555 9.257827 
1 1 1    0   28    4 o   51.837   5.4976   20.566   4.1842   21.486   4.5856   15.992   10.226   52.891   5.9162   43.973   13.918 8.917660 15.12334 
1 1 1    0   28    5 o  116.511   2.8467  101.662   4.9452  108.570   6.3322   90.862   7.9175  120.257   3.5316  109.677   4.8417 10.57959 5.992913 
1 1 1    0   28    6 o  157.412   2.5554  185.475   5.9973  185.585   7.8162  185.318   9.3520  157.234   3.3341  156.884   3.9981 0.3505096 5.205881 
1 1 1    0   28    7 o   77.946   3.6572   45.729   4.2502   51.435   5.5629   37.727   6.5878   82.333   4.5493   69.852   6.3965 12.48103 7.849324 
1 1 1    0   28    8 o   37.207   7.0507   11.071   3.7681   5.9119   4.8967   18.561   5.9005   27.940   9.6600   47.810   8.5934 -19.86972 12.92915 
1 1 1    0   28    9 o   52.640   6.1889   21.745   4.7647   28.273   8.8931   19.117   5.6429   57.528   10.764   48.474   8.0930 9.054325 13.46685 
1 1 1    0   28   10 o   54.758   5.4920   23.467   4.4235   25.904   5.5621   19.272   7.2968   56.936   6.6789   46.619   10.721 10.31713 12.63158 
1 1 1    0   28   11 o   35.568   6.9534   10.494   3.5553   5.8439   4.9124   15.609   5.1521   26.770   9.6387   42.696   8.3926 -15.92569 12.78045 
1 1 1    0   28   12 o   25.699   8.2651   5.7192   3.5953   8.6745   4.8871   2.2331   5.3079   30.691   9.6088   22.132   9.3530 8.558689 13.40926 
1 1 1    0   28   13 o   33.420   7.1162   9.7162   3.4372   6.7319   4.7108   13.114   5.0266   26.926   9.4654   37.364   9.1061 -10.43792 13.13455 
1 1 1    0   29    0 o   18.634   10.663   3.4464   4.6790   3.4464   4.6790   3.4464   4.6790   18.634   10.663   18.634   10.663 0.000000 0.000000 
1 1 1    0   29    1 o   47.803   5.0000   17.465   3.5109   18.272   4.7059   16.452   5.2726   48.454   6.6927   45.510   8.0658 2.943428 10.48090 
1 1 1    0   29    2 o   75.445   3.4854   42.744   3.9206   42.473   4.9707   43.191   6.3778   74.901   4.4714   75.167   5.7341 -0.2661667 7.271381 
1 1 1    0   29    3 o   16.855   7.2480  -0.0895   3.2860   0.0837   3.9636  -0.4703   5.8766   18.668   7.9920   21.961   9.5671 -3.293304 12.46603 
1 1 1    0   29    4 o   90.271   3.2268   61.178   4.3431   64.415   5.3809   55.127   7.3563   92.479   3.9025   84.827   5.8522 7.652618 7.034084 
1 1 1    0   29    5 o   50.564   5.0849   19.611   3.7815   17.311   4.6463   24.124   6.5083   46.938   6.8401   55.021   8.1827 -8.083397 10.66506 
1 1 1    0   29    6 o   71.690   3.8847   38.911   4.1368   39.428   5.2646   38.076   6.6883   71.827   4.9461   69.970   6.4848 1.857765 8.155775 
1 1 1    0   29    7 o   59.573   5.2366   27.362   4.6040   29.386   6.7313   25.582   6.3112   60.689   7.6061   56.534   7.6867 4.155155 10.81378 
1 1 1    0   29    8 o   71.895   3.9391   39.358   4.2064   34.921   5.4942   45.644   6.5387   67.016   5.5485   76.548   5.7715 -9.531792 8.006014 
1 1 1    0   29    9 o   34.473   7.1911   9.8320   3.5765   16.766   5.1268   3.2586   4.9919   44.859   7.9567   23.590   9.4146 21.26852 12.32652 
1 1 1    0   29   10 o   30.465   7.8992   7.9936   3.6180   2.0129   4.8908   15.222   5.3768   21.629   9.0497   41.631   8.9300 -20.00217 12.71388 
1 1 1    0   29   11 o   86.768   4.0588   58.233   5.2508   56.188   6.1306   63.863   10.173   84.426   4.8913   86.263   8.0006 -1.837395 9.377292 
1 1 1    0   29   12 o   50.158   5.7470   20.668   4.2203   11.468   6.6168   26.978   5.4795   32.893   11.235   56.550   6.6243 -23.65705 13.04266 
1 1 1    0   29   13 o   16.404   7.2082   0.3881   3.4002  -0.5321   4.6843   1.4129   4.9435   17.678   8.0551   19.743   8.6828 -2.064846 11.84379 
1 1 1    0   30    0 o   39.422   9.4064   13.602   4.7973   13.602   4.7973   13.602   4.7973   39.422   9.4064   39.422   9.4064 0.000000 0.000000 
1 1 1    0   30    1 o   84.763   3.2032   53.992   4.0482   60.656   5.5217   46.247   5.9525   89.605   4.1330   77.795   5.1612 11.81000 6.612105 
1 1 1    0   30    2 o   35.683   6.7597   10.134   3.4647   13.255   4.4128   5.1187   5.5945   40.664   7.5564   27.498   10.222 13.16608 12.71204 
1 1 1    0   30    3 o   19.289   7.6843   1.6873   3.3202   4.6215   4.0814  -4.0545   5.7093   25.152   8.8122   18.643   8.6388 6.508568 12.34033 
1 1 1    0   30    4 o   51.780   4.8740   20.595   3.7186   23.598   4.5832   14.809   6.3612   55.191   5.6494   41.809   10.277 13.38187 11.72769 
1 1 1    0   30    5 o   28.597   7.7598   6.6944   3.3929   5.6913   4.1589   8.6906   5.8669   26.870   8.9055   32.378   10.570 -5.508232 13.82137 
1 1 1    0   30    6 o  142.569   2.8119  152.947   5.9772  162.986   8.4457  142.872   8.4605  146.570   3.8647  137.052   4.1404 9.517960 5.663826 
1 1 1    0   30    7 o   14.901   6.9703  -3.1975   3.8575   1.3450   5.8136  -6.7706   5.1561   22.720   9.7017   15.544   7.4893 7.176160 12.25613 
1 1 1    0   30    8 o   60.274   4.3344   28.078   3.8692   30.494   5.4733   25.664   5.4703   61.845   6.0117   56.297   6.6453 5.548576 8.961037 
1 1 1    0   30    9 f   29.872   7.9842   7.7878   3.6243   4.9446   4.9178   11.168   5.3618   25.117   9.5314   34.692   9.8863 -9.575417 13.73267 
1 1 1    0   30   10 o   14.220   6.6806  -2.8183   3.6093  -1.0741   4.6932  -5.3432   5.6466   17.858   8.1083   16.692   7.9887 1.165274 11.38262 
1 1 1    0   30   11 o   26.696   8.4204   6.6205   3.7456   10.599   4.6557  -0.6804   6.3066   33.158   9.1284   20.179   9.2520 12.97924 12.99722 
1 1 1    0   30   12 o   36.021   7.9099   12.125   4.1318   17.351   6.3669   8.3232   5.4307   40.113   10.517   27.918   10.122 12.19456 14.59673 
1 1 1    0   31    0 o   12.385   8.3424  -1.7413   4.4297  -1.7413   4.4297  -1.7413   4.4297   12.385   8.3424   12.385   8.3424 0.000000 0.000000 
1 1 1    0   31    1 o   59.615   4.0462   27.086   3.5752   31.641   4.8772   21.795   5.2562   64.037   5.1519   52.344   6.9033 11.69236 8.613802 
1 1 1    0   31    2 o   28.701   7.5967   6.7745   3.3017   8.1379   4.3203   4.8602   5.1191   31.189   8.8696   26.243   9.7739 4.945555 13.19844 
1 1 1    0   31    3 f   14.688   6.7582  -2.1819   3.4054  -1.6365   4.2016  -3.2261   5.8139   17.110   7.7297   19.144   8.8164 -2.033669 11.72503 
1 1 1    0   31    4 o   16.519   7.3256  -0.7476   3.5898  -2.7674   4.3028   3.8772   6.5110   16.319   7.5398   26.266   10.657 -9.947124 13.05429 
1 1 1    0   31    5 o   72.635   3.8277   40.293   4.1307   42.916   5.2024   35.820   6.7948   74.519   4.7066   66.686   6.9354 7.832932 8.381598 
1 1 1    0   31    6 o   27.865   8.4467   6.6486   3.8136   4.4642   4.5992   11.456   6.8226   24.547   9.2402   34.992   11.397 -10.44530 14.67220 
1 1 1    0   31    7 o   23.180   8.0259   4.3539   3.3807   10.354   4.5395  -3.1184   5.0659   34.065   8.8557   17.271   8.0484 16.79414 11.96659 
1 1 1    0   31    8 o   28.795   8.4695   7.4541   3.8787   3.2138   6.0014   10.496   5.0829   23.711   9.9786   33.378   9.6608 -9.666885 13.88900 
1 1 1    0   31    9 o   17.735   7.6014   0.9240   3.5931   1.8721   4.3450  -1.1270   6.3904   20.015   8.4604   20.195   9.2793 -0.1801968 12.55723 
1 1 1    0   31   10 o   19.657   7.9607   2.5721   3.6260  -4.4282   4.8675   11.300   5.4352   15.431   7.3936   32.981   10.102 -17.54974 12.51859 
1 1 1    0   31   11 o   27.033   8.0782   7.0967   3.5064   10.549   4.8197   3.2145   5.1108   31.647   9.4741   21.345   9.1050 10.30127 13.13997 
1 1 1    0   32    0 o   33.704   10.435   10.972   4.5911   10.972   4.5911   10.972   4.5911   33.704   10.435   33.704   10.435 0.000000 0.000000 
1 1 1    0   32    1 o   14.046   6.4996  -2.1969   3.2158   1.2677   4.3294  -6.4609   4.8030   20.119   8.4715   14.880   7.1841 5.238723 11.10758 
1 1 1    0   32    2 o   29.140   7.2150   7.1240   3.1181   1.9677   3.8997   16.263   5.1919   20.228   8.2323   43.779   8.2570 -23.55061 11.65967 
1 1 1    0   32    3 o   92.795   2.9496   65.184   4.0810   71.266   5.6000   58.295   5.9594   96.487   3.8927   86.690   4.6274 9.796341 6.046964 
1 1 1    0   32    4 o   35.378   6.4707   10.326   3.2874   12.103   4.3336   7.9170   5.0453   37.499   7.9952   29.738   9.8065 7.761501 12.65267 
1 1 1    0   32    5 o   21.840   7.8538   3.7276   3.2606   9.7520   4.3207  -4.2411   4.9693   32.996   8.6697   16.263   7.7006 16.73297 11.59584 
1 1 1    0   32    6 f   14.514   6.7823  -2.5508   3.6368   0.7183   5.5737  -4.9743   4.7991   20.807   9.1824   15.356   7.3534 5.450981 11.76389 
1 1 1    0   32    7 o   53.313   4.9483   22.752   3.8885   30.925   5.1115   11.527   5.9908   61.615   5.6261   33.596   10.655 28.01915 12.04894 
1 1 1    0   32    8 o   19.272   7.6673   2.5246   3.3014  -2.9121   4.4124   9.4394   4.9762   15.596   7.3454   30.629   9.7103 -15.03294 12.17559 
1 1 1    0   32    9 o   49.199   5.1151   19.895   3.6973   22.345   4.9722   16.863   5.5298   50.501   6.7743   41.208   9.2297 9.293243 11.44894 
1 1 1    0   32   10 f   40.320   6.2906   14.319   3.6582   15.624   4.9396   12.734   5.4442   39.593   8.6128   33.630   10.069 5.962315 13.25047 
1 1 1    0   33    0 o   50.887   6.5305   20.831   4.7310   20.831   4.7310   20.831   4.7310   50.887   6.5305   50.887   6.5305 0.000000 0.000000 
1 1 1    0   33    1 o   13.402   6.2361  -2.1105   3.0233  -6.2976   4.0483   3.1695   4.5460   13.055   6.3697   22.165   8.9354 -9.109895 10.97341 
1 1 1    0   33    2 o   18.404   7.3888   1.9094   3.0945  -0.0143   4.0044   4.7616   4.8759   17.618   7.7787   24.463   9.4392 -6.844389 12.23140 
1 1 1    0   33    3 o   23.594   7.6832   4.8047   3.1007   3.5095   4.0397   6.6619   4.8373   21.926   8.5549   27.028   9.5823 -5.101624 12.84553 
1 1 1    0   33    4 o   25.608   7.7429   5.8475   3.2075   6.7343   4.1458   4.5251   5.0627   26.999   8.8887   23.952   9.5055 3.046921 13.01399 
1 1 1    0   33    5 o   41.769   5.4560   14.313   3.3166   19.546   4.4164   7.5440   5.0225   48.211   6.2943   27.835   9.7743 20.37619 11.62559 
1 1 1    0   33    6 o   32.239   8.0676   9.6802   3.8685   13.241   5.8203   6.8618   5.1778   35.498   10.356   26.449   9.8338 9.049210 14.28125 
1 1 1    0   33    7 o   28.343   7.9474   7.6391   3.4941   5.3368   4.7968   10.242   5.1000   23.903   9.3233   31.078   9.8280 -7.175072 13.54672 
1 1 1    0   33    8 o   22.193   8.1195   4.6319   3.5057   6.6100   4.8160   2.4022   5.1130   25.105   9.4544   20.314   8.8847 4.790735 12.97394 
1 1 1    0   34    0 o   48.289   6.9663   19.232   4.7122   19.232   4.7122   19.232   4.7122   48.289   6.9663   48.289   6.9663 0.000000 0.000000 
1 1 1    0   34    1 o   49.476   4.6832   19.665   3.4136   22.148   4.8134   17.152   4.8417   50.939   6.4847   43.655   7.7211 7.284458 10.08303 
1 1 1    0   34    2 o   17.287   7.2195   1.4331   3.1044   5.6818   4.2149  -3.6046   4.5897   24.655   8.9208   15.389   7.3196 9.265787 11.53939 
1 1 1    0   34    3 o   27.890   7.5186   7.1729   3.1976   15.304   4.3473  -2.4115   4.7198   41.342   7.3206   16.338   7.6637 25.00486 10.59827 
1 1 1    0   34    4 o   13.640   6.3649  -1.8588   3.1849   3.0040   4.1505  -8.8223   4.9668   20.481   8.4318   13.350   6.6170 7.130611 10.71818 
1 1 1    0   34    5 o   32.007   8.2200   9.9922   3.9432   11.728   4.7315   6.0454   7.1344   33.729   9.1683   24.817   10.676 8.911734 14.07245 
1 1 1    0   34    6 f   20.302   8.0522   3.5145   3.6309   1.0028   4.7515   7.0396   5.6290   18.509   8.3029   25.216   10.018 -6.706970 13.01157 
1 1 1    0   34    7 o   48.788   10.321   27.073   7.2731   27.073   7.2731   0.0000   0.0000   48.788   10.321  ?   ?  0.000000 10.32076 
1 1 1    0   35    0 o   14.514   9.2940   1.1512   4.5294   1.1512   4.5294   1.1512   4.5294   14.514   9.2940   14.514   9.2940 0.000000 0.000000 
1 1 1    0   35    1 f   13.634   6.3620  -1.6231   3.1820   1.0975   4.5192  -4.2981   4.4811   18.327   8.1679   14.347   6.9296 3.979970 10.71142 
1 1 1    0   35    2 o   31.657   7.1686   9.4070   3.3049   12.202   4.4771   6.0598   4.8991   34.464   8.7093   23.994   9.4046 10.46979 12.81783 
1 1 1    0   35    3 o   22.326   7.9059   4.8960   3.2918   3.6510   4.3728   6.5242   5.0009   20.684   8.5972   24.367   9.5153 -3.683586 12.82398 
1 1 1    0   35    4 o   12.503   6.0060  -3.0889   3.2581  -1.4884   4.3455  -5.1438   4.9238   15.646   7.3440   14.415   7.0313 1.231730 10.16728 
1 1 1    1    1    0 o  1606.46   16.846 19281.04  403.397 19281.04  403.397 19281.04  403.397  1606.46   16.846  1606.46   16.846 0.000000 0.000000 
1 1 1    1    1    1 o  140.376   1.1376  146.904   2.3810  147.797   2.9161  145.118   4.1243  140.801   1.3891  139.518   1.9827 1.283707 2.420856 
1 1 1    1    1    2 o  506.146   2.0572  1909.94   15.525  1910.89   21.972  1908.98   21.939  506.257   2.9108  506.005   2.9080 0.2524414 4.114541 
1 1 1    1    1    3 o  538.797   2.1956  2164.34   17.638  2174.48   25.061  2154.40   24.829  540.036   3.1124  537.537   3.0980 2.498840 4.391428 
1 1 1    1    1    4 o  293.960   1.4273  644.223   6.2554  652.048   10.951  640.433   7.6213  295.725   2.4836  293.090   1.7441 2.634979 3.034777 
1 1 1    1    1    5 o  295.834   1.4104  652.489   6.2212  650.448   9.8172  653.858   8.0421  295.353   2.2293  296.136   1.8214 -0.7832947 2.878795 
1 1 1    1    1    6 o   97.444   1.4757   70.795   2.1440   72.472   3.3829   69.670   2.7717   98.583   2.3015   96.663   1.9232 1.920242 2.999279 
1 1 1    1    1    7 o  530.229   2.3000  2096.26   18.182  2121.48   26.040  2072.27   25.400  533.358   3.2746  527.139   3.2317 6.219421 4.600735 
1 1 1    1    1    8 o  509.742   2.4259  1937.34   18.437  1880.67   47.565  1947.36   20.001  502.014   6.3548  511.052   2.6249 -9.038330 6.875622 
1 1 1    1    1    9 f  557.353   2.3104  2316.09   19.200  2304.09   28.602  2325.93   25.903  555.863   3.4511  558.507   3.1106 -2.643677 4.646088 
1 1 1    1    1   10 o  118.200   3.0614  104.180   5.3952  104.180   5.3952   0.0000   0.0000  118.200   3.0614  ?   ?  0.000000 3.061373 
1 1 1    1    1   11 o  405.145   1.9083  1223.81   11.527  1228.65   18.206  1220.58   14.893  405.906   3.0083  404.592   2.4688 1.314178 3.891674 
1 1 1    1    1   12 o  238.036   2.2263  422.510   7.9013   0.0000   0.0000  422.510   7.9013  ?   ?   238.036   2.2263 0.000000 2.226309 
1 1 1    1    1   13 o  312.004   1.8121  725.893   8.4298  743.936   13.611  714.665   10.737  315.796   2.8907  309.556   2.3263 6.239532 3.710518 
1 1 1    1    1   14 o   93.769   4.1114   65.667   5.7480   65.667   5.7480   0.0000   0.0000   93.769   4.1114  ?   ?  0.000000 4.111408 
1 1 1    1    1   15 o  115.878   2.4427  100.184   4.2203  108.555   8.7400   97.639   4.8194  120.475   4.8657  114.381   2.8260 6.094574 5.626801 
1 1 1    1    1   16 o   98.342   3.2232   72.226   4.7260   0.0000   0.0000   72.226   4.7260  ?   ?    98.342   3.2232 0.000000 3.223190 
1 1 1    1    1   17 o   55.241   4.4251   22.984   3.6140   20.433   7.4431   23.771   4.1341   50.970   10.151   56.108   4.9940 -5.137867 11.31274 
1 1 1    1    1   18 o   75.114   4.5122   42.422   5.0299   0.0000   0.0000   42.422   5.0299  ?   ?    75.114   4.5122 0.000000 4.512197 
1 1 1    1    1   19 o   54.663   5.5318   22.742   4.4464   0.0000   0.0000   22.742   4.4464  ?   ?    54.663   5.5318 0.000000 5.531787 
1 1 1    1    1   20 o   36.130   7.5047   10.397   3.9106   0.0000   0.0000   10.397   3.9106  ?   ?    36.130   7.5047 0.000000 7.504733 
1 1 1    1    1   22 o   15.134   6.9271  -1.9455   3.5150   0.0000   0.0000  -1.9455   3.5150  ?   ?    15.134   6.9271 0.000000 6.927098 
1 1 1    1    2    0 o  320.864   4.1134  767.974   19.671  767.974   19.671  767.974   19.671  320.864   4.1134  320.864   4.1134 0.000000 0.000000 
1 1 1    1    2    1 o  349.491   1.9399  910.616   10.109  919.223   13.133  898.104   15.834  351.133   2.5086  347.068   3.0600 4.064545 3.956815 
1 1 1    1    2    2 o  257.113   1.4015  492.835   5.3727  492.571   8.2085  493.032   7.1065  257.039   2.1419  257.162   1.8534 -0.1224365 2.832457 
1 1 1    1    2    3 o  421.502   1.9485  1324.55   12.245  1334.81   18.857  1317.08   16.102  423.112   2.9891  420.301   2.5696 2.811218 3.941776 
1 1 1    1    2    4 o  565.527   2.3175  2384.55   19.541  2373.88   27.517  2395.42   27.754  564.221   3.2710  566.775   3.2843 -2.553650 4.635340 
1 1 1    1    2    5 o  411.080   1.8731  1259.98   11.480  1268.03   18.863  1255.24   14.469  412.338   3.0682  410.287   2.3652 2.050598 3.873998 
1 1 1    1    2    6 o  188.279   1.3208  264.291   3.7079  269.862   5.9126  260.680   4.7602  190.240   2.0845  186.982   1.7075 3.257874 2.694565 
1 1 1    1    2    7 o  343.327   1.5978  878.801   8.1791  897.758   13.164  866.882   10.438  346.988   2.5446  340.981   2.0532 6.006836 3.269633 
1 1 1    1    2    8 o  466.993   2.1505  1625.97   14.973  1622.91   30.031  1626.98   17.274  466.473   4.3179  467.130   2.4801 -0.6566772 4.979524 
1 1 1    1    2    9 o  217.586   1.5497  352.961   5.0274  349.600   7.9308  355.220   6.5003  216.538   2.4565  218.277   1.9974 -1.738647 3.166035 
1 1 1    1    2   10 o  489.296   2.6460  1785.11   19.303  1781.52   23.546  1792.47   33.709  488.781   3.2310  490.208   4.6121 -1.427704 5.631266 
1 1 1    1    2   11 o  456.665   2.0175  1554.89   13.737  1536.00   21.364  1568.21   17.936  453.835   3.1573  458.594   2.6232 -4.758942 4.104835 
1 1 1    1    2   12 o  527.302   2.8279  2073.70   22.233   0.0000   0.0000  2073.70   22.233  ?   ?   527.302   2.8279 0.000000 2.827882 
1 1 1    1    2   13 o  172.590   1.9445  222.129   5.0038  226.363   8.8554  220.143   6.0648  174.173   3.4100  171.805   2.3676 2.368088 4.151385 
1 1 1    1    2   14 o  117.082   3.7213  102.350   6.4961  102.350   6.4961   0.0000   0.0000  117.082   3.7213  ?   ?  0.000000 3.721253 
1 1 1    1    2   15 o  150.533   2.0766  169.030   4.6608  178.747   8.2060  164.402   5.6629  154.709   3.5575  148.434   2.5588 6.274261 4.382131 
1 1 1    1    2   16 o   87.636   3.3978   57.369   4.4397   0.0000   0.0000   57.369   4.4397  ?   ?    87.636   3.3978 0.000000 3.397831 
1 1 1    1    2   17 o  133.164   2.5613  132.371   5.0854  141.746   10.339  129.379   5.8408  137.536   5.0419  131.620   2.9763 5.915817 5.854818 
1 1 1    1    2   18 o   89.890   3.2121   60.393   4.3050   61.564   8.6690   60.009   4.9597   90.174   6.4913   89.566   3.7140 0.6087646 7.478706 
1 1 1    1    2   19 o  148.545   2.6837  164.932   5.9437  182.479   17.009  162.491   6.3437  154.920   7.3639  147.411   2.8863 7.508636 7.909293 
1 1 1    1    2   20 o   74.216   4.2015   41.626   4.6300   0.0000   0.0000   41.626   4.6300  ?   ?    74.216   4.2015 0.000000 4.201491 
1 1 1    1    2   21 o   68.825   11.643   40.491   11.522   0.0000   0.0000   40.491   11.522  ?   ?    68.825   11.643 0.000000 11.64329 
1 1 1    1    2   22 o   52.565   5.3220   21.590   4.1135   0.0000   0.0000   21.590   4.1135  ?   ?    52.565   5.3220 0.000000 5.321986 
1 1 1    1    3    0 o  747.061   8.1567  4164.03   90.829  4164.03   90.829  4164.03   90.829  747.061   8.1567  747.061   8.1567 0.000000 0.000000 
1 1 1    1    3    1 f  267.917   1.6697  535.129   6.6697  540.427   8.6255  527.252   10.518  269.236   2.1487  265.930   2.6528 3.306610 3.413855 
1 1 1    1    3    2 o   96.704   1.2707   69.717   1.8322   67.704   2.5669   71.808   2.6160   95.296   1.8066   98.142   1.7878 -2.845535 2.541631 
1 1 1    1    3    3 o  250.003   1.5676  465.962   5.8432  455.620   10.055  471.236   7.1801  247.200   2.7281  251.411   1.9155 -4.210190 3.333361 
1 1 1    1    3    4 o  182.260   1.4088  247.656   3.8282  246.085   5.8474  248.834   5.0645  181.673   2.1587  182.689   1.8593 -1.015594 2.849065 
1 1 1    1    3    5 o  157.320   1.5990  184.529   3.7506  183.042   5.2896  186.033   5.3187  156.675   2.2644  157.950   2.2585 -1.275345 3.198159 
1 1 1    1    3    6 o  419.968   1.9418  1315.07   12.159  1350.29   20.342  1295.50   15.166  425.487   3.2065  416.809   2.4404 8.678497 4.029552 
1 1 1    1    3    7 o  255.732   1.6162  487.580   6.1626  496.852   10.219  482.280   7.7257  258.135   2.6550  254.333   2.0373 3.802399 3.346632 
1 1 1    1    3    8 o  645.179   2.5396  3103.62   24.429  3117.90   42.583  3096.62   29.825  646.558   4.4174  644.425   3.1041 2.132996 5.398946 
1 1 1    1    3    9 o  310.815   1.7331  720.238   8.0315  722.877   13.929  718.923   9.8300  311.362   3.0005  310.526   2.1232 0.8359375 3.675718 
1 1 1    1    3   10 o  105.565   2.5915   83.093   4.0789   83.662   6.0956   82.632   5.4887  105.914   3.8601  105.264   3.4972 0.6499329 5.208696 
1 1 1    1    3   11 o  360.306   1.9225  967.932   10.328  969.020   17.784  967.378   12.686  360.460   3.3091  360.190   2.3622 0.2689514 4.065698 
1 1 1    1    3   12 f  273.499   2.2403  557.794   9.1355   0.0000   0.0000  557.794   9.1355  ?   ?   273.499   2.2403 0.000000 2.240295 
1 1 1    1    3   13 o  274.617   1.8713  562.371   7.6621  556.454   13.232  565.356   9.3982  273.089   3.2496  275.325   2.2894 -2.236420 3.975126 
1 1 1    1    3   14 o  275.818   2.5402  567.548   10.446  572.227   13.576  560.756   16.355  276.884   3.2886  274.014   4.0033 2.870056 5.180853 
1 1 1    1    3   15 o   19.042   7.2355   1.9109   2.8363   6.2520   4.7305  -0.5256   3.5439   29.237   9.4885   17.218   7.4652 12.01893 12.07317 
1 1 1    1    3   16 o  186.253   2.3077  258.857   6.4084  340.396   20.007  249.534   6.7648  212.932   6.3017  182.855   2.4813 30.07747 6.772650 
1 1 1    1    3   17 o   64.556   3.9950   31.289   3.8264   31.234   7.7406   31.307   4.4018   63.752   8.3436   64.500   4.6075 -0.7475662 9.531281 
1 1 1    1    3   18 o   97.714   3.0418   71.348   4.4315   84.402   9.6099   67.823   4.9942  105.724   6.1227   95.231   3.5174 10.49261 7.061104 
1 1 1    1    3   19 o  130.442   2.6339  127.180   5.1225  137.556   10.293  123.764   5.9058  135.169   5.1076  128.616   3.0797 6.552719 5.964208 
1 1 1    1    3   20 o   75.843   3.9578   43.415   4.4600   30.656   12.561   45.255   4.7709   59.388   14.346   77.391   4.1497 -18.00319 14.93454 
1 1 1    1    3   21 o  100.850   6.0989   78.805   9.1275   78.463   13.004   79.138   12.815   98.530   8.9494   99.111   8.7622 -0.5816879 12.52473 
1 1 1    1    3   22 o   49.398   5.4767   19.160   3.9658   0.0000   0.0000   19.160   3.9658  ?   ?    49.398   5.4767 0.000000 5.476692 
1 1 1    1    4    0 o  156.591   2.1805  182.912   5.0887  182.912   5.0887  182.912   5.0887  156.591   2.1805  156.591   2.1805 0.000000 0.000000 
1 1 1    1    4    1 f  773.258   3.4301  4458.33   39.546  4493.66   56.432  4424.24   55.435  776.240   4.8759  770.223   4.8272 6.016907 6.861246 
1 1 1    1    4    2 o  430.699   2.3127  1383.03   14.852  1376.75   23.302  1387.32   19.273  429.689   3.6372  431.353   2.9968 -1.663300 4.712753 
1 1 1    1    4    3 o  318.490   2.1800  756.275   10.352  772.190   21.313  751.362   11.843  321.767   4.4426  317.448   2.5021 4.319092 5.098729 
1 1 1    1    4    4 o  220.527   1.4668  362.575   4.8228  366.029   7.4574  360.092   6.3230  221.562   2.2575  219.764   1.9297 1.798462 2.969867 
1 1 1    1    4    5 o   43.440   2.7082   14.128   1.7453   12.755   2.4439   15.557   2.4934   41.149   4.0353   45.514   3.7065 -4.364777 5.479209 
1 1 1    1    4    6 o  402.841   2.0277  1210.00   12.179  1213.06   18.671  1207.73   16.068  403.301   3.1050  402.436   2.6779 0.8641357 4.100264 
1 1 1    1    4    7 o  285.445   1.6636  607.463   7.0800  617.278   11.722  601.826   8.8837  287.723   2.7324  284.111   2.0972 3.611511 3.444427 
1 1 1    1    4    8 o  186.541   1.6707  259.429   4.6467  255.811   7.6172  261.573   5.8642  185.225   2.7582  187.307   2.0998 -2.081497 3.466555 
1 1 1    1    4    9 f  562.602   2.4678  2359.98   20.700  2388.82   34.194  2343.29   26.007  565.956   4.0523  560.585   3.1116 5.371765 5.109123 
1 1 1    1    4   10 o  313.575   2.0588  733.124   9.6256  745.805   14.693  723.590   12.740  316.250   3.1160  311.515   2.7430 4.735687 4.151381 
1 1 1    1    4   11 o  424.246   2.0501  1341.99   12.968  1336.32   22.295  1344.89   15.942  423.279   3.5327  424.686   2.5177 -1.406769 4.338039 
1 1 1    1    4   12 o  209.659   2.2370  327.791   6.9929  339.553   17.445  325.539   7.6329  213.227   5.4874  208.931   2.4503 4.296097 6.009612 
1 1 1    1    4   13 o  212.548   1.8589  336.889   5.8908  335.646   10.179  337.514   7.2231  212.092   3.2191  212.729   2.2773 -0.6378021 3.943183 
1 1 1    1    4   14 o  183.189   2.2109  250.316   6.0386  251.975   9.3294  249.120   7.9220  183.723   3.4058  182.713   2.9080 1.009979 4.478410 
1 1 1    1    4   15 o  143.429   2.1402  153.464   4.5768  170.051   8.3138  146.252   5.4823  150.880   3.6957  139.994   2.6266 10.88594 4.533988 
1 1 1    1    4   16 o   98.587   3.0277   72.578   4.4505   59.393   11.874   74.733   4.8005   88.131   9.1707  100.029   3.2187 -11.89806 9.719156 
1 1 1    1    4   17 o   64.894   3.7949   31.597   3.6558   40.092   6.8767   28.250   4.3163   72.747   6.4054   61.229   4.7656 11.51772 7.983756 
1 1 1    1    4   18 o  121.479   2.6994  110.226   4.8892  114.473   10.307  108.992   5.5539  123.403   5.6017  120.761   3.0846 2.641571 6.394842 
1 1 1    1    4   19 o  156.929   2.4817  184.039   5.8067  187.364   12.132  183.051   6.6134  157.701   5.1599  156.449   2.8352 1.252441 5.887506 
1 1 1    1    4   20 o   70.525   3.7607   37.526   3.9402   47.896   7.8383   34.019   4.5579   78.729   6.7425   66.940   4.5946 11.78918 8.159140 
1 1 1    1    4   21 o   31.985   11.448   8.0353   6.9195   16.762   11.222   2.6829   8.7890   42.861   14.632   28.298   12.001 14.56374 18.92394 
1 1 1    1    4   22 o   29.119   8.0240   7.1471   3.5953   7.0978   8.9152   7.1566   3.9290   31.164   12.531   29.065   8.5172 2.099520 15.15137 
1 1 1    1    5    0 o  134.363   2.1156  134.691   4.2359  134.691   4.2359  134.691   4.2359  134.363   2.1156  134.363   2.1156 0.000000 0.000000 
1 1 1    1    5    1 o  446.322   2.3639  1485.20   15.731  1484.59   24.672  1485.61   20.420  446.196   3.7085  446.368   3.0683 -0.1725769 4.813285 
1 1 1    1    5    2 o  611.358   2.8082  2786.81   25.597  2798.49   36.361  2775.34   36.041  612.584   3.9811  610.046   3.9624 2.538391 5.616886 
1 1 1    1    5    3 o  312.725   2.1786  729.172   10.158  702.720   20.116  738.226   11.769  306.930   4.3957  314.653   2.5086 -7.723053 5.061165 
1 1 1    1    5    4 o   38.255   3.1522   10.989   1.7819   13.242   2.8719   9.5786   2.2721   41.864   4.6812   35.562   4.3777 6.302448 6.409203 
1 1 1    1    5    5 o  274.929   1.6467  563.567   6.7499  560.166   10.270  566.153   8.9555  274.072   2.5134  275.544   2.1799 -1.472107 3.326982 
1 1 1    1    5    6 o  185.315   1.5942  256.037   4.4048  259.244   6.7992  253.718   5.7822  186.460   2.4457  184.467   2.1023 1.992599 3.225106 
1 1 1    1    5    7 f  589.055   2.8658  2587.30   25.169  2679.62   45.323  2546.14   30.265  599.332   5.0720  584.320   3.4739 15.01215 6.147591 
1 1 1    1    5    8 o   79.785   2.3240   47.461   2.7646   46.861   4.6399   47.792   3.4424   79.269   3.9258   80.059   2.8839 -0.7899399 4.871210 
1 1 1    1    5    9 o  230.236   1.7559  395.204   6.0276  391.811   9.8925  397.208   7.6017  229.230   2.8944  230.814   2.2089 -1.583511 3.641033 
1 1 1    1    5   10 o  477.854   2.4302  1702.59   17.315  1753.73   27.095  1667.29   22.511  484.917   3.7476  472.844   3.1930 12.07339 4.923387 
1 1 1    1    5   11 o   77.905   2.8260   45.260   3.2824   44.734   5.5675   45.540   4.0639   77.272   4.8572   78.138   3.4882 -0.8658752 5.979967 
1 1 1    1    5   12 o  249.143   2.0663  462.866   7.6757  498.524   21.628  457.727   8.2101  258.335   5.6150  247.750   2.2226 10.58463 6.038937 
1 1 1    1    5   13 o  393.999   2.0428  1157.71   12.000  1176.88   21.073  1148.50   14.599  397.091   3.5592  392.392   2.4953 4.699493 4.346824 
1 1 1    1    5   14 o  105.561   2.6717   83.144   4.2050   81.454   6.3513   84.463   5.6109  104.423   4.0794  106.360   3.5382 -1.937851 5.400063 
1 1 1    1    5   15 o   77.111   2.9133   44.385   3.3494   49.486   6.1311   42.216   3.9989   81.155   5.0929   75.178   3.5676 5.976624 6.218129 
1 1 1    1    5   16 o  166.646   2.2072  207.219   5.4841  212.075   11.092  205.648   6.3091  168.356   4.4191  165.988   2.5493 2.367599 5.101670 
1 1 1    1    5   17 o  164.585   2.3600  202.182   5.7911  200.429   9.7056  203.150   7.2166  163.689   3.9768  164.924   2.9348 -1.235413 4.942451 
1 1 1    1    5   18 o  130.011   2.4704  126.223   4.7887  131.698   8.8940  123.988   5.6827  132.540   4.5007  128.807   2.9590 3.732513 5.386278 
1 1 1    1    5   19 o   97.566   3.1599   71.262   4.5966   78.354   9.5634   69.131   5.2418  101.474   6.3530   96.027   3.6611 5.446472 7.332479 
1 1 1    1    5   20 o   78.956   3.4300   46.854   4.0379   54.193   8.4864   44.706   4.5908   83.652   6.8647   76.909   4.0175 6.743408 7.953892 
1 1 1    1    5   21 o   50.857   5.5292   20.109   4.1251   32.803   7.7135   15.024   4.8818   63.640   8.3292   42.941   7.9166 20.69867 11.49118 
1 1 1    1    5   22 o   57.599   4.4553   25.620   3.7964   45.520   11.386   23.130   4.0269   71.377   11.056   54.462   5.0155 16.91549 12.14060 
1 1 1    1    6    0 o  799.406   5.0261  4765.99   59.901  4765.99   59.901  4765.99   59.901  799.406   5.0261  799.406   5.0261 0.000000 0.000000 
1 1 1    1    6    1 o  325.324   1.7721  789.055   8.5956  794.260   12.177  783.885   12.135  326.383   2.5023  324.244   2.5102 2.138977 3.544352 
1 1 1    1    6    2 o  330.347   1.8040  813.625   8.8852  815.238   12.577  812.018   12.554  330.658   2.5511  330.004   2.5515 0.6535645 3.608088 
1 1 1    1    6    3 f  121.038   2.0695  109.234   3.7348   0.0000   0.0000  109.234   3.7348  ?   ?   121.038   2.0695 0.000000 2.069548 
1 1 1    1    6    4 o  170.709   1.6761  217.279   4.2662  215.885   5.5373  219.315   6.6918  170.151   2.1827  171.488   2.6172 -1.336639 3.407936 
1 1 1    1    6    5 o  204.225   2.0539  310.990   6.2542  308.824   7.1755  317.837   12.758  203.506   2.3649  206.397   4.1457 -2.890869 4.772796 
1 1 1    1    6    6 o  571.457   2.5712  2435.00   21.907  2446.85   33.721  2426.34   28.816  572.764   3.9487  570.396   3.3884 2.367920 5.203222 
1 1 1    1    6    7 o  346.375   1.9294  894.492   9.9642  910.715   15.536  883.155   12.987  349.479   2.9816  344.161   2.5309 5.317474 3.910963 
1 1 1    1    6    8 o  249.872   1.7085  465.485   6.3652  466.704   10.528  464.783   7.9914  250.183   2.8223  249.678   2.1467 0.5052490 3.545929 
1 1 1    1    6    9 o  555.248   2.6241  2298.82   21.724  2261.38   32.696  2328.42   29.068  550.631   3.9825  558.765   3.4891 -8.133972 5.294744 
1 1 1    1    6   10 o   86.867   2.9424   56.269   3.8109   55.628   5.8214   56.750   5.0413   86.233   4.5438   87.228   3.8763 -0.9944916 5.972577 
1 1 1    1    6   11 f  232.332   1.8975  402.469   6.5728  402.370   10.753  402.528   8.3048  232.270   3.1051  232.337   2.3974 -0.6721497E-01 3.922931 
1 1 1    1    6   12 o  198.224   1.9530  293.002   5.7720  306.985   12.015  288.807   6.5811  202.814   3.9735  196.792   2.2430 6.021957 4.562807 
1 1 1    1    6   13 o   95.747   2.4447   68.384   3.4900   71.577   6.1386   66.858   4.2424   97.901   4.2054   94.659   3.0060 3.241776 5.169274 
1 1 1    1    6   14 o  147.966   2.5084  163.350   5.5340  156.325   7.6589  171.024   8.0051  144.691   3.5502  151.341   3.5476 -6.649979 5.018924 
1 1 1    1    6   15 o   96.781   2.5384   69.899   3.6628   70.517   6.5300   69.615   4.4244   97.099   4.5105   96.561   3.0732 0.5383377 5.457947 
1 1 1    1    6   16 o  173.431   2.2196  224.446   5.7395  247.560   12.102  217.738   6.5192  181.877   4.4628  170.793   2.5601 11.08435 5.144982 
1 1 1    1    6   17 f   99.582   2.8478   74.062   4.2283   81.715   7.7271   70.790   5.0518  104.408   4.9637   97.315   3.4818 7.093422 6.063117 
1 1 1    1    6   18 f  149.693   2.3085  167.312   5.1522  190.297   9.6966  158.270   6.0818  159.379   4.0806  145.538   2.8028 13.84105 4.950399 
1 1 1    1    6   19 o   73.325   3.6418   40.321   3.9814   50.602   8.9382   37.776   4.4469   81.053   7.4806   70.776   4.2335 10.27740 8.595480 
1 1 1    1    6   20 o   43.759   5.9799   14.900   3.7994   14.443   7.4817   15.059   4.4104   41.308   11.646   43.669   7.0112 -2.360394 13.59336 
1 1 1    1    6   21 o   62.369   4.2688   29.712   3.9457   36.100   7.5618   27.322   4.6253   67.071   7.7015   59.419   5.2758 7.651920 9.335229 
1 1 1    1    7    0 o   48.280   2.9746   17.577   2.1226   17.577   2.1226   17.577   2.1226   48.280   2.9746   48.280   2.9746 0.000000 0.000000 
1 1 1    1    7    1 o  328.078   1.8038  802.502   8.8232  804.205   12.454  800.785   12.502  328.408   2.5434  327.708   2.5587 0.6994019 3.607798 
1 1 1    1    7    2 o  321.839   1.9733  772.307   9.4692  784.480   15.189  764.568   12.111  324.323   3.1410  320.204   2.5368 4.118744 4.037456 
1 1 1    1    7    3 o  327.780   2.0052  801.120   9.7996  792.319   12.623  814.470   15.546  325.950   2.5974  330.447   3.1554 -4.496613 4.086973 
1 1 1    1    7    4 f  274.165   1.7418  560.449   7.1198  552.893   9.9926  568.240   10.147  272.288   2.4614  276.041   2.4655 -3.753143 3.483804 
1 1 1    1    7    5 o  270.382   2.2003  545.102   8.8702  545.538   10.197  543.749   17.984  270.481   2.5285  269.965   4.4680 0.5164795 5.133805 
1 1 1    1    7    6 o  212.838   1.7550  337.735   5.5692  344.246   7.9832  331.562   7.7732  214.870   2.4919  210.874   2.4723 3.995453 3.510270 
1 1 1    1    7    7 o  490.524   2.3453  1794.00   17.152  1760.40   25.818  1820.54   22.948  485.864   3.5641  494.113   3.1150 -8.249268 4.733469 
1 1 1    1    7    8 o  267.039   1.8431  531.650   7.3381  529.573   11.279  533.174   9.6627  266.501   2.8386  267.413   2.4235 -0.9118958 3.732409 
1 1 1    1    7    9 f  568.460   2.4963  2409.45   21.158  2471.19   35.470  2375.35   26.361  575.608   4.1330  564.395   3.1326 11.21301 5.186049 
1 1 1    1    7   10 o  286.264   2.0171  610.995   8.6094  623.196   13.342  602.291   11.269  289.078   3.0956  284.202   2.6595 4.876862 4.081190 
1 1 1    1    7   11 o  406.054   2.4443  1229.55   14.798  1223.13   25.487  1232.81   18.176  404.866   4.2222  406.559   2.9985 -1.693756 5.178604 
1 1 1    1    7   12 o  285.780   2.0829  609.047   8.8749  625.407   17.113  603.028   10.380  289.466   3.9652  284.346   2.4484 5.119019 4.660141 
1 1 1    1    7   13 o  275.679   2.1369  566.840   8.7834  566.014   13.405  567.462   11.627  275.388   3.2647  275.779   2.8278 -0.3913574 4.319082 
1 1 1    1    7   14 o  108.116   2.6650   87.225   4.2960   80.093   6.4303   92.976   5.7736  103.529   4.1658  111.585   3.4703 -8.056519 5.421872 
1 1 1    1    7   15 o  227.667   2.2288  386.730   7.5656  385.742   11.806  387.418   9.8553  227.238   3.4845  227.803   2.9016 -0.5651398 4.534439 
1 1 1    1    7   16 f  326.185   2.1734  793.935   10.570  834.545   21.992  781.736   12.054  333.923   4.4172  323.620   2.4981 10.30334 5.074712 
1 1 1    1    7   17 o   50.212   5.7439   19.182   4.2228   36.398   8.5579   13.641   4.8551   68.793   8.5263   41.774   8.0873 27.01906 11.75169 
1 1 1    1    7   18 f   44.858   5.9758   15.429   3.8973   25.762   8.9442   13.007   4.3300   56.845   10.950   40.819   7.3865 16.02551 13.20861 
1 1 1    1    7   19 o   74.861   3.5865   42.042   4.0031   50.784   8.9683   39.867   4.4735   81.109   7.5009   72.708   4.1438 8.401306 8.569435 
1 1 1    1    7   20 o   53.115   4.6148   21.542   3.6183   23.963   6.2023   20.292   4.4549   54.916   7.7937   51.139   5.9542 3.777245 9.807845 
1 1 1    1    7   21 o   53.995   5.0323   22.557   4.0046   34.185   7.9782   18.640   4.6302   64.625   8.4852   48.410   6.5858 16.21469 10.74115 
1 1 1    1    8    0 o   21.651   7.1037   4.4641   2.0337   4.4641   2.0337   4.4641   2.0337   21.651   7.1037   21.651   7.1037 0.000000 0.000000 
1 1 1    1    8    1 o  420.203   2.3146  1316.67   14.501  1326.38   18.972  1303.03   22.489  421.709   3.0174  417.938   3.6091 3.771149 4.704273 
1 1 1    1    8    2 o  179.005   1.7869  238.917   4.7692  238.655   6.9460  239.150   6.5598  178.889   2.6042  179.078   2.4569 -0.1891022 3.580238 
1 1 1    1    8    3 o  279.833   1.7317  583.863   7.2250  578.993   10.129  588.908   10.309  278.641   2.4380  281.016   2.4605 -2.374878 3.463781 
1 1 1    1    8    4 o  189.805   1.6149  268.600   4.5700  256.060   6.3330  282.225   6.6012  185.310   2.2921  194.548   2.2757 -9.237839 3.229995 
1 1 1    1    8    5 o  271.274   2.2303  548.692   9.0207  551.106   10.394  541.324   18.159  271.863   2.5642  269.379   4.5212 2.484680 5.197714 
1 1 1    1    8    6 o  261.225   2.0167  508.767   7.8546  502.788   12.296  512.889   10.209  259.664   3.1760  262.272   2.6108 -2.607086 4.111301 
1 1 1    1    8    7 o  280.318   1.8215  585.841   7.6129  586.246   11.693  585.543   10.030  280.399   2.7970  280.238   2.4004 0.1607971 3.685831 
1 1 1    1    8    8 o  173.131   2.0165  223.478   5.2053  216.107   7.3373  230.947   7.3858  170.242   2.8907  175.991   2.8147 -5.749374 4.034687 
1 1 1    1    8    9 o  258.975   2.0960  500.052   8.0932  490.176   11.416  510.030   11.475  256.387   2.9863  261.529   2.9429 -5.141876 4.192733 
1 1 1    1    8   10 o  288.188   2.0248  619.251   8.7001  646.120   13.553  600.416   11.347  294.341   3.0882  283.753   2.6820 10.58755 4.090218 
1 1 1    1    8   11 o  128.715   2.4851  123.555   4.7691  108.581   11.539  126.640   5.2374  120.364   6.4532  130.308   2.6957 -9.944275 6.993628 
1 1 1    1    8   12 o  299.741   2.0959  670.035   9.3667  696.046   18.102  660.524   10.946  305.353   3.9761  297.585   2.4670 7.768890 4.679257 
1 1 1    1    8   13 o  340.822   2.2082  866.447   11.221  871.695   17.295  862.632   14.746  341.720   3.3946  340.000   2.9090 1.720673 4.470505 
1 1 1    1    8   14 o   61.761   3.5284   28.580   3.2356   34.299   5.3160   25.214   4.0779   67.483   5.3268   57.867   4.7690 9.615952 7.149640 
1 1 1    1    8   15 o   69.707   3.6308   36.408   3.7605   40.558   7.0696   34.770   4.4409   73.192   6.5474   68.035   4.4015 5.157043 7.889349 
1 1 1    1    8   16 o  145.417   2.2347  157.808   4.8450  158.182   8.6236  157.635   5.8568  145.423   3.9773  145.301   2.7035 0.1215057 4.809089 
1 1 1    1    8   17 o  127.403   2.8627  121.250   5.4377  136.974   8.9407  112.018   6.8504  135.220   4.4347  122.367   3.7548 12.85271 5.810725 
1 1 1    1    8   18 o  138.529   2.3753  143.340   4.9060  158.410   9.2439  137.431   5.7886  145.315   4.2665  135.584   2.8635 9.730804 5.138365 
1 1 1    1    8   19 o   52.220   4.5250   20.703   3.4883   14.894   6.3122   23.256   4.1854   42.744   10.070   55.232   5.1416 -12.48821 11.30690 
1 1 1    1    8   20 o   62.156   3.9492   29.304   3.6408   26.099   6.3961   30.840   4.4283   57.291   7.6814   63.545   4.7074 -6.254440 9.009044 
1 1 1    1    8   21 f   23.214   8.4653   3.8444   3.8062   9.6973   6.7332   1.0960   4.6141   33.554   11.334   20.672   8.7272 12.88167 14.30485 
1 1 1    1    9    0 o  171.534   4.4026  219.903   11.243  219.903   11.243  219.903   11.243  171.534   4.4026  171.534   4.4026 0.000000 0.000000 
1 1 1    1    9    1 o  292.459   2.1982  637.812   9.5853  634.198   20.010  638.888   10.920  291.491   4.6041  292.694   2.5022 -1.202362 5.240129 
1 1 1    1    9    2 o  332.595   2.0783  824.851   10.306  837.861   16.589  816.675   13.152  335.145   3.3199  330.917   2.6656 4.228546 4.257607 
1 1 1    1    9    3 o  494.765   2.6759  1825.51   19.739  1805.56   30.931  1839.21   25.639  491.933   4.2172  496.563   3.4630 -4.629822 5.456828 
1 1 1    1    9    4 o   61.376   2.4716   28.089   2.2618   24.566   3.5015   30.611   2.9628   57.239   4.1306   64.068   3.1016 -6.829533 5.165482 
1 1 1    1    9    5 o  183.035   2.0734  249.784   5.6583  252.477   11.251  248.872   6.5465  183.986   4.1013  182.697   2.4033 1.289261 4.753540 
1 1 1    1    9    6 f  275.563   1.9029  566.140   7.8183  551.202   10.894  582.004   11.227  271.891   2.6874  279.384   2.6951 -7.493408 3.806041 
1 1 1    1    9    7 o  453.680   2.6716  1534.69   18.071  1511.27   28.323  1550.76   23.469  450.142   4.2200  456.022   3.4518 -5.879059 5.451897 
1 1 1    1    9    8 o  323.978   2.6227  782.644   12.669  786.939   14.724  770.398   24.862  324.854   3.0399  321.333   5.1893 3.520844 6.014170 
1 1 1    1    9    9 o  250.014   2.3329  466.070   8.6963  460.071   11.196  475.194   13.807  248.384   3.0233  252.414   3.6686 -4.030441 4.753851 
1 1 1    1    9   10 o  182.958   2.1139  249.596   5.7663  241.026   8.5425  256.768   7.8155  179.765   3.1872  185.553   2.8250 -5.787384 4.258989 
1 1 1    1    9   11 o  245.937   2.0306  451.035   7.4460  457.820   11.446  446.058   9.8040  247.733   3.0989  244.550   2.6888 3.183182 4.102811 
1 1 1    1    9   12 f  131.457   2.2965  128.893   4.5010  122.452   6.8378  133.818   5.9791  128.084   3.5806  133.921   2.9945 -5.837097 4.667688 
1 1 1    1    9   13 o  151.162   2.2292  170.450   5.0242  173.218   7.9270  168.591   6.4955  152.315   3.4906  150.303   2.8985 2.012115 4.537102 
1 1 1    1    9   14 o  253.668   2.3247  480.108   8.7922  489.817   12.655  471.049   12.224  256.108   3.3141  251.160   3.2644 4.948090 4.651839 
1 1 1    1    9   15 o  156.261   2.5845  182.263   6.0214  170.615   10.158  188.575   7.4768  150.987   4.5121  158.894   3.1560 -7.906113 5.506313 
1 1 1    1    9   16 o   40.907   5.8881   12.823   3.4877   17.661   5.9543   10.295   4.3033   47.562   8.7178   36.195   8.1680 11.36656 11.94640 
1 1 1    1    9   17 o  124.309   2.9017  115.457   5.3781  141.927   8.8255   99.822   6.7829  137.639   4.3006  115.476   3.9396 22.16253 5.832289 
1 1 1    1    9   18 o   57.125   4.6552   24.686   3.9304   39.071   7.1171   18.374   4.7145   71.475   6.7587   48.811   6.6513 22.66420 9.482601 
1 1 1    1    9   19 o  115.904   2.9607  100.675   5.1163  103.547   10.118   99.689   5.9303  116.672   5.8167  115.226   3.4519 1.446037 6.763862 
1 1 1    1    9   20 o   57.576   4.4784   25.326   3.8142   24.495   6.0439   25.876   4.9170   55.440   7.5046   57.743   5.7892 -2.303097 9.478115 
1 1 1    1    9   21 o   33.473   7.4944   9.2958   3.6471   20.123   5.5830   1.2364   4.8169   49.468   7.8304   21.088   8.9107 28.37981 11.86236 
1 1 1    1   10    0 o   26.482   7.0120   6.2141   2.3920   6.2141   2.3920   6.2141   2.3920   26.482   7.0120   26.482   7.0120 0.000000 0.000000 
1 1 1    1   10    1 o  248.357   1.8554  459.901   6.8704  460.893   8.7990  458.351   10.997  248.611   2.3738  247.905   2.9752 0.7059326 3.806138 
1 1 1    1   10    2 o  440.883   2.4851  1449.44   16.336  1428.39   25.572  1463.95   21.233  437.585   3.9195  443.046   3.2144 -5.461273 5.069030 
1 1 1    1   10    3 o  301.706   1.8382  678.672   8.2690  678.073   11.666  679.276   11.723  301.555   2.5946  301.822   2.6050 -0.2671509 3.676694 
1 1 1    1   10    4 o  138.285   1.6867  142.570   3.4777  144.460   4.9385  140.710   4.8981  139.193   2.3796  137.374   2.3914 1.818741 3.373637 
1 1 1    1   10    5 o  795.383   3.6259  4717.88   43.000  4727.30   60.955  4708.56   60.668  796.034   5.1358  794.456   5.1217 1.577820 7.253186 
1 1 1    1   10    6 o  539.683   2.6976  2171.71   21.706  2160.78   30.626  2182.73   30.770  538.272   3.8160  540.999   3.8146 -2.726990 5.395713 
1 1 1    1   10    7 o  403.626   2.8055  1214.77   16.883  1240.78   35.112  1206.94   19.256  407.780   5.7751  402.311   3.2101 5.469788 6.607358 
1 1 1    1   10    8 o  298.688   2.1053  665.174   9.3758  651.417   13.196  679.198   13.324  295.562   2.9945  301.799   2.9609 -6.237457 4.211210 
1 1 1    1   10    9 o  379.183   2.3286  1072.09   13.165  1056.45   18.475  1088.23   18.764  376.366   3.2923  381.984   3.2947 -5.618073 4.657706 
1 1 1    1   10   10 o  256.370   2.1345  490.102   8.1589  473.259   13.832  499.089   10.104  251.863   3.6833  258.694   2.6196 -6.830444 4.519863 
1 1 1    1   10   11 o  334.371   2.2778  833.827   11.356  840.038   16.292  827.959   15.836  335.542   3.2565  333.127   3.1884 2.415222 4.557485 
1 1 1    1   10   12 o   78.582   3.0293   46.081   3.5492   46.678   5.5457   45.667   4.6191   78.892   4.7366   78.099   3.9800 0.7929764 6.186770 
1 1 1    1   10   13 o   66.696   3.4922   33.308   3.4607   32.097   5.3265   34.193   4.5524   65.248   5.5272   67.477   4.5515 -2.228752 7.160040 
1 1 1    1   10   14 o  263.923   2.3228  519.748   9.1405  520.504   13.048  519.019   12.809  263.990   3.3150  263.622   3.2588 0.3684387 4.648492 
1 1 1    1   10   15 o  225.524   2.2281  379.547   7.4921  383.878   11.757  376.585   9.7219  226.641   3.4791  224.563   2.9036 2.078918 4.531623 
1 1 1    1   10   16 o   79.602   3.2054   47.351   3.8043   49.175   6.3742   46.342   4.7413   80.780   5.3222   78.589   4.0603 2.190994 6.694139 
1 1 1    1   10   17 o   71.665   4.2303   38.619   4.5001   39.498   6.8396   37.948   5.9757   72.080   6.4318   70.788   5.7105 1.291832 8.601031 
1 1 1    1   10   18 o   30.493   7.8505   7.3782   3.5904  -2.6288   6.2422   12.326   4.3892   21.086   9.4833   39.524   7.7250 -18.43826 12.23147 
1 1 1    1   10   19 o   38.114   7.0374   11.515   3.8518   16.714   7.5817   9.7063   4.4719   44.601   11.368   34.553   8.6891 10.04773 14.30828 
1 1 1    1   10   20 o   63.160   4.3823   30.470   4.1013   33.925   6.3429   27.989   5.3764   65.718   6.5611   59.845   6.1113 5.873280 8.966348 
1 1 1    1   10   21 o   46.371   5.5497   16.969   3.7608   20.265   5.9664   14.796   4.8443   49.093   8.4564   42.043   8.0207 7.050385 11.65509 
1 1 1    1   11    0 o  197.394   2.3297  290.623   6.8543  290.623   6.8543  290.623   6.8543  197.394   2.3297  197.394   2.3297 0.000000 0.000000 
1 1 1    1   11    1 o  345.972   2.1768  892.474   11.229  901.824   18.110  886.634   14.312  347.734   3.4929  344.820   2.7839 2.913940 4.466613 
1 1 1    1   11    2 o   62.730   2.2784   29.341   2.1310   32.351   2.8884   25.745   3.1569   65.866   2.9412   58.641   3.6285 7.225758 4.670848 
1 1 1    1   11    3 o  366.574   2.2126  1001.91   12.093  1021.98   19.120  988.526   15.613  370.188   3.4641  364.099   2.8760 6.088806 4.502359 
1 1 1    1   11    4 o   60.499   2.7696   27.291   2.4982   25.328   3.0761   31.095   4.2817   58.168   3.5641   64.410   4.4865 -6.242149 5.729863 
1 1 1    1   11    5 o  135.708   1.9018  137.307   3.8480  131.770   5.3089  143.437   5.5855  132.937   2.6785  138.697   2.7010 -5.759979 3.803882 
1 1 1    1   11    6 o  231.475   1.8853  399.474   6.5066  397.232   9.2842  401.639   9.1215  230.812   2.6978  232.090   2.6360 -1.277908 3.771827 
1 1 1    1   11    7 o  380.553   3.1330  1079.95   17.777  1059.46   31.568  1089.47   21.511  376.795   5.6192  382.200   3.7749 -5.405029 6.769433 
1 1 1    1   11    8 f  336.035   2.1900  841.947   10.972  862.397   15.936  823.516   15.130  340.061   3.1431  332.310   3.0536 7.751007 4.382198 
1 1 1    1   11    9 o  209.813   2.1225  328.247   6.6398  324.629   9.3690  331.897   9.4115  208.631   3.0119  210.954   2.9923 -2.323181 4.245616 
1 1 1    1   11   10 o  303.904   2.0247  688.700   9.1742  688.579   14.208  688.787   12.014  303.819   3.1366  303.893   2.6516 -0.7409668E-01 4.107201 
1 1 1    1   11   11 o   83.712   2.7517   52.278   3.4345   46.063   5.6882   55.844   4.3086   78.368   4.8927   86.506   3.3405 -8.138184 5.924315 
1 1 1    1   11   12 o   98.737   2.5442   72.734   3.7454   71.858   5.8099   73.357   4.8994   98.085   3.9728   99.132   3.3148 -1.046791 5.174084 
1 1 1    1   11   13 o  171.346   2.1753  219.026   5.5572  224.688   8.6836  215.098   7.2322  173.461   3.3576  169.758   2.8574 3.702591 4.408855 
1 1 1    1   11   14 o  176.331   2.2258  232.002   5.8516  242.324   9.1763  224.928   7.5967  180.099   3.4173  173.563   2.9356 6.536087 4.505072 
1 1 1    1   11   15 f  253.752   2.0916  480.477   7.9134  502.371   13.441  468.861   9.7901  259.251   3.4773  250.598   2.6202 8.653091 4.353975 
1 1 1    1   11   16 o  214.676   2.1941  343.975   7.0227  358.192   11.615  335.784   8.8166  218.854   3.5596  212.026   2.7890 6.827576 4.522084 
1 1 1    1   11   17 o  147.107   2.7362  161.718   6.0015  165.131   9.3782  159.351   7.8100  148.400   4.2385  145.899   3.5903 2.501007 5.554760 
1 1 1    1   11   18 o   85.638   3.1960   54.942   4.0808   56.058   7.8382   54.528   4.7797   85.723   6.1740   85.234   3.7611 0.4884262 7.229415 
1 1 1    1   11   19 o  112.167   2.7444   94.340   4.5897  112.693   9.4526   88.679   5.2501  121.677   5.2104  108.625   3.2417 13.05225 6.136541 
1 1 1    1   11   20 o   20.223   7.7687   2.4159   3.2921   10.372   5.5759  -1.8422   4.0790   34.771   10.134   16.675   7.5666 18.09588 12.64735 
1 1 1    1   11   21 o   26.081   7.8724   5.7070   3.3178   3.6228   5.1691   7.1672   4.3266   24.084   9.5901   28.862   9.0419 -4.778265 13.18048 
1 1 1    1   12    0 f   20.258   11.125   4.2473   4.8414   4.2473   4.8414   4.2473   4.8414   20.258   11.125   20.258   11.125 0.000000 0.000000 
1 1 1    1   12    1 o  477.258   2.9296  1698.47   20.846  1699.28   29.017  1697.61   29.968  477.314   4.0774  477.070   4.2131 0.2434387 5.863044 
1 1 1    1   12    2 o   94.699   2.0680   66.864   2.9198   65.856   4.0763   67.925   4.1844   93.977   2.9092   95.442   2.9405 -1.464493 4.136418 
1 1 1    1   12    3 o  416.529   2.2305  1293.57   13.852  1310.55   19.649  1276.80   19.532  419.224   3.1435  413.790   3.1659 5.433838 4.461448 
1 1 1    1   12    4 o  241.014   2.3330  433.103   8.3835  432.688   9.1883  435.168   20.484  240.895   2.5582  241.498   5.6890 -0.6033020 6.237745 
1 1 1    1   12    5 o  517.140   2.6073  1994.07   20.104  1995.08   28.515  1993.07   28.348  517.222   3.6976  516.962   3.6778 0.2595825 5.215218 
1 1 1    1   12    6 o  493.362   2.7851  1814.99   20.487  1835.62   26.989  1786.94   31.470  496.116   3.6486  489.455   4.3124 6.661743 5.648817 
1 1 1    1   12    7 o  274.076   2.2399  560.088   9.1530  559.724   14.892  560.310   11.603  273.948   3.6459  274.116   2.8391 -0.1677856 4.620968 
1 1 1    1   12    8 o  485.268   2.5989  1756.02   18.804  1736.09   26.414  1776.49   26.775  482.437   3.6721  488.017   3.6797 -5.580170 5.198551 
1 1 1    1   12    9 o  413.133   3.3887  1273.23   20.873  1285.35   25.604  1249.21   36.043  415.028   4.1377  408.942   5.9114 6.085419 7.215657 
1 1 1    1   12   10 o  364.240   2.1439  989.402   11.643  1005.03   18.201  978.573   15.148  367.012   3.3262  362.194   2.8050 4.818024 4.351036 
1 1 1    1   12   11 o  303.435   1.9249  686.661   8.7085  688.782   14.394  685.437   10.937  303.799   3.1778  303.129   2.4200 0.6698914 3.994355 
1 1 1    1   12   12 o  100.251   2.4082   74.982   3.5995   87.124   6.2199   68.869   4.4137  107.996   3.8628   96.053   3.0819 11.94347 4.941640 
1 1 1    1   12   13 o  120.202   2.6476  107.838   4.7451  102.632   6.8089  112.752   6.6163  117.186   3.8970  122.849   3.6122 -5.663368 5.313627 
1 1 1    1   12   14 o   76.200   3.3480   43.384   3.8038   40.863   6.8945   44.487   4.5607   73.471   6.3565   77.025   3.9849 -3.553909 7.502344 
1 1 1    1   12   15 o   52.368   4.6313   20.705   3.5788   25.896   6.0600   17.925   4.4348   58.175   7.1362   48.418   6.2919 9.757374 9.513902 
1 1 1    1   12   16 o  128.126   2.7700  122.635   5.2916  124.619   8.1825  121.209   6.9375  128.977   4.2551  127.281   3.6557 1.695778 5.609785 
1 1 1    1   12   17 o  104.101   3.2142   81.093   4.9888   85.662   7.9405   78.114   6.4124  106.709   4.9909  102.032   4.2152 4.677330 6.532712 
1 1 1    1   12   18 o   30.173   7.9880   7.2767   3.6500   12.127   7.8499   5.9389   4.1228   38.679   12.189   27.773   8.8422 10.90559 15.05840 
1 1 1    1   12   19 o   19.289   7.6748   1.7129   3.3081   4.6034   7.0067   0.8838   3.7527   28.295   11.197   19.033   7.9423 9.261703 13.72808 
1 1 1    1   12   20 o   14.226   6.4656  -1.4970   2.9939   3.9534   5.1244  -4.3215   3.6890   24.862   9.6534   13.700   6.5292 11.16192 11.65410 
1 1 1    1   13    0 o  779.716   5.0318  4534.37   58.492  4534.37   58.492  4534.37   58.492  779.716   5.0318  779.716   5.0318 0.000000 0.000000 
1 1 1    1   13    1 o  270.654   1.8532  546.152   7.4785  557.715   10.653  534.916   10.501  273.491   2.6125  267.843   2.6295 5.648743 3.706698 
1 1 1    1   13    2 f  467.246   2.4150  1627.81   16.824  1627.33   23.628  1628.30   23.961  467.139   3.3924  467.276   3.4392 -0.1371765 4.830780 
1 1 1    1   13    3 o   37.900   4.1220   10.840   2.2917   13.461   3.0881   7.6274   3.4191   42.182   5.0079   31.335   7.4309 10.84663 8.960876 
1 1 1    1   13    4 o  120.630   2.3275  108.497   4.1862  113.896   5.3094   99.626   6.8059  123.590   2.8813  115.576   3.9495 8.013229 4.888849 
1 1 1    1   13    5 o  160.720   2.0611  192.590   4.9390  195.673   6.7131  188.953   7.2924  161.992   2.7794  159.182   3.0726 2.810043 4.143201 
1 1 1    1   13    6 o  159.577   2.2998  189.871   5.4717  185.623   7.0418  196.344   8.6928  157.772   2.9935  162.253   3.5933 -4.481293 4.676873 
1 1 1    1   13    7 o  401.944   2.3262  1204.66   13.941  1248.55   20.353  1165.88   19.133  409.153   3.3364  395.380   3.2456 13.77264 4.654644 
1 1 1    1   13    8 o  372.160   2.2717  1032.80   12.605  1041.04   18.007  1024.89   17.652  373.589   3.2327  370.683   3.1939 2.905548 4.544394 
1 1 1    1   13    9 o  331.818   2.4398  821.149   12.070  812.672   15.508  834.179   19.226  330.055   3.1513  334.336   3.8568 -4.280823 4.980561 
1 1 1    1   13   10 o  111.078   2.3896   92.030   3.9576   89.184   6.3310   93.856   5.0704  109.298   3.8850  112.156   3.0321 -2.857590 4.928185 
1 1 1    1   13   11 o  188.107   2.3596  263.966   6.6177  271.887   10.850  259.273   8.3508  190.803   3.8140  186.388   3.0050 4.415054 4.855556 
1 1 1    1   13   12 o   60.369   3.3825   27.301   3.0323   29.826   5.1069   25.926   3.7685   62.871   5.5034   58.730   4.3342 4.140690 7.005198 
1 1 1    1   13   13 o  183.710   2.1855  251.819   5.9864  247.365   9.0746  255.251   7.9654  181.971   3.3447  184.898   2.8894 -2.926300 4.419890 
1 1 1    1   13   14 o   72.536   3.3507   39.320   3.6237   55.305   6.2315   31.153   4.4543   85.770   4.8932   64.323   4.6766 21.44700 6.768610 
1 1 1    1   13   15 o  190.417   2.3121  270.661   6.5643  276.926   12.902  268.473   7.6249  192.253   4.5011  189.600   2.6973 2.653030 5.247441 
1 1 1    1   13   16 o   16.637   7.2850  -0.7445   3.4465  -1.6800   5.8941  -0.2584   4.2486   21.283   9.4151   19.134   8.2349 2.149227 12.50828 
1 1 1    1   13   17 o   77.178   3.6314   44.650   4.1787   40.060   6.9673   47.229   5.2221   72.382   6.5262   79.145   4.4434 -6.763390 7.895207 
1 1 1    1   13   18 o   67.755   3.9549   34.686   3.9780   41.474   7.1226   31.609   4.7956   73.290   6.5886   64.400   5.0345 8.889969 8.291878 
1 1 1    1   13   19 o   27.591   7.7672   6.2005   3.3306   17.132   7.3048   3.3313   3.7422   44.470   11.063   22.493   8.3608 21.97717 13.86659 
1 1 1    1   13   20 o   33.310   7.1224   9.1563   3.4302   8.0771   5.4116   9.8811   4.4349   30.716   10.158   33.977   8.7128 -3.261353 13.38240 
1 1 1    1   14    0 o  703.821   4.6384  3694.45   48.669  3694.45   48.669  3694.45   48.669  703.821   4.6384  703.821   4.6384 0.000000 0.000000 
1 1 1    1   14    1 o  116.479   2.0205  101.156   3.5089  101.984   4.8556  100.250   5.0763  116.949   2.7847  115.949   2.9364 0.9997406 4.046829 
1 1 1    1   14    2 o  107.222   2.1263   85.717   3.3992   82.513   4.4817   90.056   5.2159  105.193   2.8575  109.893   3.1834 -4.700279 4.277757 
1 1 1    1   14    3 o  255.059   2.0786  485.043   7.9047  490.253   10.056  476.618   12.788  256.415   2.6303  252.807   3.3927 3.608337 4.292865 
1 1 1    1   14    4 o  253.638   2.0403  479.651   7.7157  481.525   10.220  477.167   11.766  254.121   2.6974  252.959   3.1196 1.161942 4.124037 
1 1 1    1   14    5 o  237.863   1.9825  421.846   7.0310  424.265   9.9269  419.412   9.9598  238.528   2.7913  237.160   2.8167 1.368652 3.965471 
1 1 1    1   14    6 o  170.489   2.0499  216.723   5.2106  210.274   7.3549  223.222   7.3831  167.918   2.9377  173.012   2.8621 -5.094269 4.101464 
1 1 1    1   14    7 o  333.388   2.1659  828.787   10.766  831.211   15.379  826.458   15.077  333.835   3.0898  332.882   3.0378 0.9531555 4.333014 
1 1 1    1   14    8 o  140.278   2.3823  146.751   4.9827  148.492   7.7416  145.520   6.5104  141.072   3.6806  139.670   3.1263 1.402039 4.829185 
1 1 1    1   14    9 o  352.084   2.5031  924.627   13.140  914.519   16.906  940.051   20.883  350.091   3.2388  354.867   3.9469 -4.776001 5.105707 
1 1 1    1   14   10 f   75.638   2.8749   42.690   3.2422   46.707   5.2126   40.156   4.1407   78.941   4.4468   73.234   3.8052 5.706772 5.852702 
1 1 1    1   14   11 o  165.227   2.2167  203.658   5.4607  205.099   9.7412  202.997   6.5943  165.686   3.9433  164.932   2.6816 0.7542725 4.768668 
1 1 1    1   14   12 o   26.786   6.8449   5.5967   2.7438   1.4896   4.4983   8.0303   3.4626   21.828   8.8572   32.041   7.3978 -10.21280 11.54026 
1 1 1    1   14   13 o  165.192   2.2695  203.646   5.5897  203.390   8.7338  203.823   7.2749  164.963   3.5509  165.204   2.9535 -0.2409973 4.618687 
1 1 1    1   14   14 o  203.125   2.1020  307.908   6.3658  313.916   10.527  304.445   7.9929  204.916   3.4455  201.916   2.6550 2.999542 4.349777 
1 1 1    1   14   15 o  120.464   2.7610  108.402   4.9590  110.041   9.6323  107.811   5.7845  121.033   5.3378  120.089   3.2306 0.9434891 6.239276 
1 1 1    1   14   16 o  119.350   2.6972  106.455   4.7996  116.084   7.9989  101.037   5.9996  124.392   4.3129  116.181   3.4635 8.211540 5.531470 
1 1 1    1   14   17 o   56.674   4.6152   24.351   3.8660   17.477   6.4449   28.214   4.8318   46.605   9.5946   60.860   5.3803 -14.25525 11.00020 
1 1 1    1   14   18 o   81.778   3.3989   50.299   4.1442   39.697   6.9021   56.276   5.1824   71.533   6.5440   86.347   4.0254 -14.81437 7.682996 
1 1 1    1   14   19 o   20.869   8.1506   2.4331   3.6697  -5.3905   6.1921   6.6685   4.5560   18.512   8.7136   28.606   9.3133 -10.09444 12.75399 
1 1 1    1   14   20 o   56.256   4.7343   24.603   3.9341   30.716   5.7395   19.186   5.4029   61.967   6.2998   47.963   7.8251 14.00324 10.04591 
1 1 1    1   15    0 o  596.215   4.0953  2651.03   36.401  2651.03   36.401  2651.03   36.401  596.215   4.0953  596.215   4.0953 0.000000 0.000000 
1 1 1    1   15    1 o  492.250   2.5291  1806.73   18.562  1838.43   26.661  1776.91   25.859  496.501   3.6015  488.125   3.5532 8.375946 5.059237 
1 1 1    1   15    2 o  171.441   2.2823  219.148   5.8339  215.792   6.8380  228.126   11.183  170.117   2.6960  174.882   4.2889 -4.764465 5.065874 
1 1 1    1   15    3 o  269.648   2.2415  542.137   9.0118  545.715   11.119  535.287   15.384  270.524   2.7568  267.894   3.8516 2.630646 4.736528 
1 1 1    1   15    4 o  436.067   2.3964  1417.88   15.580  1439.22   22.157  1397.00   21.913  439.291   3.3829  432.799   3.3958 6.492462 4.793286 
1 1 1    1   15    5 o  578.890   2.8753  2499.09   24.817  2525.65   35.403  2473.43   34.799  581.857   4.0809  575.812   4.0533 6.044067 5.751813 
1 1 1    1   15    6 o  228.413   2.4990  389.063   8.5106  417.141   19.216  382.212   9.4922  236.372   5.4526  226.384   2.8122 9.988480 6.135127 
1 1 1    1   15    7 o  339.617   2.3661  860.150   11.981  873.270   19.021  851.521   15.426  342.108   3.7291  337.869   3.0622 4.238403 4.825246 
1 1 1    1   15    8 o  182.249   2.0976  247.702   5.6999  240.643   8.0737  254.716   8.0482  179.600   3.0151  184.781   2.9213 -5.180817 4.198145 
1 1 1    1   15    9 o   98.201   2.6494   71.944   3.8791   72.857   5.6194   71.114   5.3613   98.783   3.8154   97.599   3.6843 1.183800 5.303916 
1 1 1    1   15   10 f   99.215   2.8860   73.464   4.2691   71.749   5.7173   75.625   6.4183   98.005   3.9127  100.597   4.2792 -2.592178 5.798328 
1 1 1    1   15   11 o   72.148   3.2948   38.873   3.5443   36.169   6.5573   39.989   4.2126   69.132   6.4357   73.050   3.8817 -3.917557 7.515710 
1 1 1    1   15   12 o  138.096   2.0909  142.288   4.3051  148.204   7.2074  139.006   5.3679  140.838   3.4323  136.461   2.6383 4.377655 4.329147 
1 1 1    1   15   13 o  269.028   2.0265  540.055   8.1286  538.787   13.405  540.793   10.222  268.496   3.3486  269.139   2.5475 -0.6430054 4.207446 
1 1 1    1   15   14 o   80.823   3.1946   48.825   3.8497   42.798   6.2776   52.458   4.8737   75.257   5.6356   83.722   3.9044 -8.464859 6.855955 
1 1 1    1   15   15 o  163.004   2.6623  198.497   6.4703  194.557   11.386  200.376   7.8634  161.010   4.7429  163.694   3.2219 -2.683441 5.733718 
1 1 1    1   15   16 o   61.495   4.3643   28.544   3.9756   31.168   6.5415   27.008   5.0062   63.681   7.0055   59.543   5.7090 4.137981 9.037129 
1 1 1    1   15   17 o   49.206   5.8589   18.656   4.2139   31.112   7.8604   13.632   4.9918   62.739   8.6317   41.238   8.4039 21.50090 12.04707 
1 1 1    1   15   18 o   32.946   7.0279   8.7464   3.3469   5.5043   5.5703   10.578   4.1870   27.843   10.228   35.992   8.0089 -8.148365 12.99019 
1 1 1    1   15   19 o   23.124   8.1380   4.0115   3.4828   5.4369   6.7052   3.4849   4.0757   28.159   11.012   22.918   8.6819 5.240650 14.02283 
1 1 1    1   15   20 o   80.982   3.3237   49.890   4.0132   56.608   6.4473   45.641   5.1276   84.976   5.1125   76.700   4.5036 8.275864 6.813249 
1 1 1    1   16    0 o  564.491   3.9795  2376.47   33.489  2376.47   33.489  2376.47   33.489  564.491   3.9795  564.491   3.9795 0.000000 0.000000 
1 1 1    1   16    1 o  423.938   2.3525  1340.09   14.869  1357.34   21.183  1323.33   20.877  426.615   3.3303  421.236   3.3241 5.379120 4.705402 
1 1 1    1   16    2 f  225.978   2.0024  380.748   6.7466  395.638   9.3950  364.894   9.6944  230.339   2.7356  221.203   2.9394 9.135635 4.015458 
1 1 1    1   16    3 o  452.069   2.4633  1523.90   16.603  1498.94   22.808  1552.05   24.217  448.300   3.4122  456.163   3.5606 -7.862854 4.931682 
1 1 1    1   16    4 o  150.656   2.1501  169.240   4.8296  181.677   6.7598  156.272   6.9028  156.080   2.9048  144.750   3.1984 11.32953 4.320613 
1 1 1    1   16    5 o  317.706   2.1156  752.651   10.021  771.334   14.411  735.157   13.945  321.585   3.0056  313.955   2.9791 7.630798 4.231853 
1 1 1    1   16    6 o  311.580   2.9754  724.151   13.822   0.0000   0.0000  724.151   13.822  ?   ?   311.580   2.9754 0.000000 2.975398 
1 1 1    1   16    7 o  244.755   2.0389  446.734   7.4403  451.205   10.617  442.418   10.430  245.935   2.8954  243.530   2.8725 2.405045 4.078563 
1 1 1    1   16    8 o  217.026   2.0600  351.279   6.6657  359.712   9.6059  343.448   9.2573  219.567   2.9343  214.548   2.8939 5.018692 4.121265 
1 1 1    1   16    9 o  159.297   2.1562  189.283   5.1212  189.284   7.4420  189.282   7.0580  159.244   3.1344  159.254   2.9725 -0.9475708E-02 4.319767 
1 1 1    1   16   10 o  130.666   2.3493  127.390   4.5770  131.268   6.7499  124.090   6.2273  132.577   3.4148  128.913   3.2399 3.664063 4.707179 
1 1 1    1   16   11 o   93.593   2.8956   65.402   4.0407   65.765   7.3862   65.248   4.8271   93.534   5.3184   93.452   3.4644 0.8206940E-01 6.347227 
1 1 1    1   16   12 o  187.691   2.1234  262.876   5.9423  259.100   9.2956  265.486   7.7274  186.204   3.3482  188.559   2.7486 -2.354996 4.331951 
1 1 1    1   16   13 o   78.307   3.3694   45.843   3.9338   49.923   6.1758   43.056   5.1031   81.411   5.1139   75.668   4.5443 5.742508 6.841231 
1 1 1    1   16   14 o   86.292   2.9961   55.649   3.8548   55.322   6.2032   55.855   4.9201   85.726   4.8734   86.384   3.8201 -0.6580124 6.192163 
1 1 1    1   16   15 o  146.425   2.4033  160.149   5.2468  169.075   9.1210  155.735   6.4144  150.175   4.0736  144.317   2.9810 5.857956 5.047833 
1 1 1    1   16   16 o   21.031   7.9871   2.4779   3.4551  -4.3811   5.4571   7.0667   4.4636   18.169   8.4285   30.058   9.1443 -11.88918 12.43614 
1 1 1    1   16   17 o   54.527   4.7928   22.692   3.8570   24.261   5.8551   21.489   5.1263   55.609   7.2332   52.473   6.7059 3.136181 9.863425 
1 1 1    1   16   18 f   33.102   6.8427   8.8596   3.2656   5.8825   5.6370   10.363   4.0063   28.176   10.298   35.530   7.7784 -7.353916 12.90543 
1 1 1    1   16   19 o   23.093   7.9932   4.1352   3.3531   1.3133   6.2169   5.2928   3.9819   23.137   9.9595   25.606   8.7158 -2.468834 13.23468 
1 1 1    1   17    0 o  404.298   3.2920  1219.06   19.841  1219.06   19.841  1219.06   19.841  404.298   3.2920  404.298   3.2920 0.000000 0.000000 
1 1 1    1   17    1 o  273.151   2.0648  556.328   8.4091  566.547   11.831  545.894   11.955  275.623   2.8789  270.550   2.9636 5.073486 4.131697 
1 1 1    1   17    2 o  103.855   3.2522   80.447   5.0359   84.559   5.3220   45.256   15.570  106.474   3.3524   76.351   14.200 30.12267 14.58998 
1 1 1    1   17    3 o  483.909   2.5724  1746.30   18.560  1743.30   25.962  1749.43   26.542  483.412   3.6021  484.256   3.6762 -0.8434448 5.146770 
1 1 1    1   17    4 o   65.885   3.4548   32.472   3.3819   28.492   4.5832   37.231   5.0109   61.570   5.0367   70.458   4.7985 -8.888355 6.956570 
1 1 1    1   17    5 o  308.596   2.2749  710.196   10.467  695.019   15.819  722.015   13.960  305.208   3.4763  311.112   3.0095 -5.903717 4.598045 
1 1 1    1   17    6 o  415.500   2.3759  1287.62   14.719  1299.24   20.982  1276.35   20.654  417.271   3.3725  413.582   3.3494 3.688873 4.753111 
1 1 1    1   17    7 o  276.055   2.0754  568.361   8.5420  572.742   12.138  564.063   12.023  277.056   2.9385  274.949   2.9328 2.106689 4.151651 
1 1 1    1   17    8 f   81.394   3.1839   49.452   3.8638   47.301   4.8117   53.356   6.4833   79.468   4.0747   84.300   5.1834 -4.831390 6.593221 
1 1 1    1   17    9 o   79.066   3.0260   46.668   3.5672   46.150   5.2040   47.127   4.8992   78.435   4.4685   79.297   4.1583 -0.8620148 6.103987 
1 1 1    1   17   10 o   86.584   2.9111   55.972   3.7580   54.414   5.4117   57.423   5.2227   85.298   4.2552   87.641   3.9968 -2.342949 5.837957 
1 1 1    1   17   11 o  154.017   2.1669  177.012   4.9759  189.409   8.0735  169.419   6.3187  159.205   3.4012  150.627   2.8135 8.578049 4.414090 
1 1 1    1   17   12 o  136.827   2.3194  139.750   4.7316  140.901   7.4628  138.977   6.1187  137.257   3.6467  136.387   3.0089 0.8703308 4.727770 
1 1 1    1   17   13 o  209.062   2.2245  326.271   6.9339  338.263   10.876  318.059   9.0002  212.671   3.4300  206.312   2.9259 6.358597 4.508399 
1 1 1    1   17   14 o  151.092   2.7272  170.580   6.1437  166.055   8.5959  175.305   8.7842  148.900   3.8719  152.995   3.8508 -4.094925 5.460831 
1 1 1    1   17   15 o  158.410   2.5004  187.541   5.9056  190.678   11.586  186.440   6.8642  159.171   4.8821  157.874   2.9162 1.297195 5.686742 
1 1 1    1   17   16 o   11.328   5.6294  -8.9132   3.6851  -9.8858   5.8024  -8.2558   4.7708   15.774   7.6807   14.287   6.9583 1.487285 10.36395 
1 1 1    1   17   17 o   23.914   8.1806   4.2487   3.5080   12.304   5.6972  -0.6705   4.4521   38.309   9.9023   18.772   8.2483 19.53679 12.88762 
1 1 1    1   17   18 o   47.696   5.1061   17.699   3.5747   22.437   5.7651   14.740   4.5563   52.556   7.5762   42.484   7.4657 10.07193 10.63647 
1 1 1    1   17   19 o   27.534   7.5836   6.4339   3.2124   13.808   5.5054   2.6273   3.9556   39.360   9.4915   21.151   8.3996 18.20947 12.67446 
1 1 1    1   18    0 o  669.570   5.6089  3345.70   55.985  3345.70   55.985  3345.70   55.985  669.570   5.6089  669.570   5.6089 0.000000 0.000000 
1 1 1    1   18    1 o  277.782   2.0806  575.390   8.6170  563.060   11.817  589.392   12.592  274.756   2.8847  281.101   3.0045 -6.345154 4.165137 
1 1 1    1   18    2 o  164.608   2.1376  202.054   5.2462  211.805   7.1898  190.952   7.6720  168.513   2.8616  159.992   3.2162 8.521332 4.304984 
1 1 1    1   18    3 o   68.066   3.5422   34.662   3.5824   32.006   4.7670   38.108   5.4301   65.283   4.9339   71.247   5.1464 -5.963753 7.129478 
1 1 1    1   18    4 o  116.463   2.5219  101.166   4.3790  104.770   6.2945   97.786   6.0961  118.490   3.5629  114.472   3.5718 4.018021 5.044985 
1 1 1    1   18    5 o  131.724   2.5247  129.426   4.9585  131.964   7.9967  127.841   6.3202  132.949   4.0342  130.890   3.2385 2.059036 5.173288 
1 1 1    1   18    6 o  197.353   2.0416  290.485   6.0073  291.080   8.4344  289.873   8.5581  197.512   2.8641  197.099   2.9122 0.4130249 4.084617 
1 1 1    1   18    7 o  163.691   2.1001  199.865   5.1256  200.128   7.1501  199.587   7.3515  163.754   2.9285  163.527   3.0152 0.2270660 4.203271 
1 1 1    1   18    8 o   71.645   3.8073   38.458   4.0524   35.732   4.7788   45.435   7.6457   68.960   4.6755   77.523   6.6800 -8.563095 8.153676 
1 1 1    1   18    9 o  242.615   2.1331  439.164   7.7163  439.256   11.010  439.076   10.817  242.540   3.0448  242.497   2.9918 0.4289246E-01 4.268649 
1 1 1    1   18   10 o   38.246   5.6013   11.203   3.0994   9.1419   4.6504   12.850   4.1573   34.126   9.0079   40.734   7.1035 -6.608253 11.47178 
1 1 1    1   18   11 o  127.530   2.7178  121.459   5.1677  115.657   8.1798  125.312   6.6667  124.268   4.4148  129.467   3.4537 -5.199249 5.605216 
1 1 1    1   18   12 f  244.361   2.1051  445.681   7.6697  433.868   11.771  454.397   10.110  240.895   3.2774  246.634   2.7494 -5.739120 4.277904 
1 1 1    1   18   13 o   65.036   3.6596   31.757   3.5342   28.155   6.0207   33.651   4.3654   60.679   6.7702   66.849   4.4045 -6.170200 8.076825 
1 1 1    1   18   14 o   73.271   3.5143   40.200   3.8392   45.715   6.3022   36.947   4.8412   77.704   5.4747   69.973   4.6671 7.730644 7.194027 
1 1 1    1   18   15 o  115.366   2.8545   99.610   4.9100  100.225   9.6132   99.393   5.7111  115.077   5.6028  115.159   3.3263 -0.8174133E-01 6.515813 
1 1 1    1   18   16 o  100.230   3.4652   75.530   5.1784   87.502   7.6093   65.203   7.0674  107.484   4.7482   92.523   5.1435 14.96101 7.000053 
1 1 1    1   18   17 o   59.864   4.2711   27.366   3.7872   34.197   6.0693   23.011   4.8464   66.116   6.2304   54.189   6.1048 11.92658 8.722781 
1 1 1    1   18   18 o   52.687   4.7628   21.551   3.7010   14.163   6.8433   24.605   4.4000   39.326   11.156   56.052   5.3290 -16.72633 12.36311 
1 1 1    1   18   19 o   23.529   7.7940   4.6091   3.1857   12.362   5.5078   0.7116   3.9052   36.503   9.8791   18.414   7.9094 18.08882 12.65524 
1 1 1    1   19    0 o  157.430   3.3800  185.092   7.9255  185.092   7.9255  185.092   7.9255  157.430   3.3800  157.430   3.3800 0.000000 0.000000 
1 1 1    1   19    1 o  226.241   2.2916  381.740   7.7300  370.644   10.492  394.914   11.432  222.886   3.1572  230.057   3.3329 -7.170776 4.590893 
1 1 1    1   19    2 o   76.213   3.1036   43.337   3.5267   37.802   4.5782   51.414   5.5307   71.020   4.3445   82.854   4.4939 -11.83366 6.250590 
1 1 1    1   19    3 f  271.581   2.0832  550.063   8.4353  557.449   11.729  542.151   12.140  273.348   2.8780  269.560   3.0205 3.787537 4.172108 
1 1 1    1   19    4 o  241.558   2.0534  435.183   7.3954  440.800   10.304  429.215   10.621  243.063   2.8432  239.839   2.9700 3.224335 4.111572 
1 1 1    1   19    5 o   89.783   3.6358   60.188   4.8671   54.670   11.041   61.519   5.4223   84.792   8.8645   90.755   4.0072 -5.963043 9.728203 
1 1 1    1   19    6 o   71.535   3.1413   38.200   3.3504   46.939   4.6940   29.125   4.7836   79.163   3.9898   62.173   5.2084 16.98985 6.560908 
1 1 1    1   19    7 o   50.066   4.2386   18.873   3.1343   17.014   4.0643   21.601   4.9234   47.283   5.8930   53.294   6.3191 -6.010643 8.640559 
1 1 1    1   19    8 o  239.854   2.3278  429.299   8.3245  432.071   10.725  425.097   13.203  240.551   2.9903  238.497   3.7130 2.053574 4.767409 
1 1 1    1   19    9 o  118.621   2.4361  105.025   4.3085  111.740   6.1438   98.527   6.0437  122.286   3.3697  114.815   3.5305 7.470566 4.880502 
1 1 1    1   19   10 o   75.139   3.5040   42.213   3.9256   56.629   6.8617   35.199   4.7862   86.702   5.3339   68.372   4.7241 18.33051 7.125112 
1 1 1    1   19   11 o  181.670   2.2972  246.391   6.2223  237.074   8.8740  255.402   8.7271  178.060   3.3426  184.843   3.1666 -6.783188 4.604377 
1 1 1    1   19   12 o  187.331   2.3989  262.062   6.7002  268.097   9.5706  256.262   9.3833  189.313   3.3907  185.086   3.4003 4.227753 4.801938 
1 1 1    1   19   13 o  137.612   2.6951  141.521   5.5297  141.372   8.0073  141.658   7.6455  137.353   3.9100  137.524   3.7287 -0.1712036 5.402915 
1 1 1    1   19   14 o  121.577   2.5839  110.508   4.6838  111.007   7.9003  110.238   5.8162  121.530   4.3600  121.333   3.2151 0.1969070 5.417244 
1 1 1    1   19   15 o   70.523   3.7103   37.483   3.8876   34.320   6.6535   39.122   4.7903   66.620   6.7935   71.873   4.4927 -5.253586 8.144716 
1 1 1    1   19   16 o  110.758   2.9849   92.180   4.9291   91.050   7.6278   92.989   6.4588  109.450   4.6742  110.931   3.9051 -1.480949 6.090833 
1 1 1    1   19   17 o   45.582   5.1258   16.194   3.4231   19.927   5.4971   13.829   4.3749   49.381   7.7191   41.127   7.4069 8.253174 10.69797 
1 1 1    1   19   18 o   49.018   5.2955   18.982   3.8087   17.058   6.6878   19.906   4.6335   43.100   10.503   49.579   6.4187 -6.479870 12.30940 
1 1 1    1   20    0 o  456.631   3.5568  1555.62   24.212  1555.62   24.212  1555.62   24.212  456.631   3.5568  456.631   3.5568 0.000000 0.000000 
1 1 1    1   20    1 f  135.152   2.2791  136.247   4.5926  140.040   6.2463  131.784   6.7758  136.989   3.0582  132.872   3.4202 4.116745 4.588087 
1 1 1    1   20    2 o  202.098   2.0567  304.630   6.1973  307.296   8.5768  301.717   8.9647  202.936   2.8346  201.075   2.9902 1.860840 4.120273 
1 1 1    1   20    3 o   64.079   3.4953   30.747   3.3268   36.416   4.3571   22.822   5.1516   69.689   4.2132   54.822   6.4243 14.86723 7.682611 
1 1 1    1   20    4 o  139.073   2.5528  144.313   5.2933  136.601   8.0482  150.192   7.0269  135.220   3.9920  141.834   3.3229 -6.613937 5.193976 
1 1 1    1   20    5 o   13.958   6.3566  -1.8563   2.9122  -2.1117   3.7787  -1.4827   4.5701   16.160   7.3127   18.727   8.2870 -2.566996 11.05211 
1 1 1    1   20    6 o  189.835   2.2168  268.879   6.2744  267.944   8.1930  270.204   9.7571  189.449   2.9006  190.192   3.4408 -0.7424011 4.500245 
1 1 1    1   20    7 o  178.919   2.1178  238.847   5.6495  248.761   7.9631  228.800   8.0164  182.524   2.9261  175.033   3.0718 7.490555 4.242393 
1 1 1    1   20    8 f   84.339   2.8432   53.119   3.5753   55.827   5.1473   50.595   4.9698   86.390   3.9962   82.238   4.0532 4.151810 5.691929 
1 1 1    1   20    9 o  130.168   2.5182  126.507   4.8872  127.743   7.4023  125.551   6.5070  130.675   3.7993  129.598   3.3676 1.077332 5.076911 
1 1 1    1   20   10 o  147.080   2.6042  161.567   5.7108  175.266   9.7245  154.356   7.0557  152.951   4.2643  143.681   3.2936 9.269897 5.388130 
1 1 1    1   20   11 o  116.118   2.6819  100.737   4.6432  105.564   6.8273   96.582   6.3334  118.730   3.8567  113.583   3.7398 5.147896 5.372201 
1 1 1    1   20   12 o   90.025   3.3215   60.640   4.4583   58.746   6.2139   62.649   6.4001   88.317   4.7362   91.214   4.7223 -2.896912 6.688181 
1 1 1    1   20   13 o   42.027   6.5908   13.701   3.9941   13.923   5.9679   13.521   5.3754   41.632   9.7805   41.170   9.0074 0.4619141 13.29633 
1 1 1    1   20   14 o   77.996   3.6479   45.671   4.2421   57.480   8.1215   41.241   4.9746   86.675   6.3283   73.839   4.5406 12.83556 7.788712 
1 1 1    1   20   15 o   73.670   3.7197   40.986   4.0725   48.967   7.7578   37.950   4.7848   79.492   6.6054   70.650   4.5668 8.841446 8.030368 
1 1 1    1   20   16 o   37.446   6.9325   11.312   3.7279   17.973   5.9012   6.8884   4.8090   46.507   8.8336   29.106   9.5729 17.40034 13.02582 
1 1 1    1   20   17 o   24.646   7.9682   4.9594   3.3383   6.6169   5.1672   3.7721   4.3735   28.271   9.9148   23.485   8.9702 4.785419 13.37043 
1 1 1    1   20   18 o   32.649   7.1977   9.0827   3.4095   2.9046   6.2173   11.740   4.0772   23.908   10.114   36.961   7.6507 -13.05246 12.68175 
1 1 1    1   21    0 o  223.984   2.9414  374.391   9.8191  374.391   9.8191  374.391   9.8191  223.984   2.9414  223.984   2.9414 0.000000 0.000000 
1 1 1    1   21    1 o   26.594   7.4267   5.4650   3.0578   3.6711   4.0683   7.7940   4.6356   24.223   8.7643   31.816   9.2309 -7.593466 12.72887 
1 1 1    1   21    2 o  148.908   2.2215  165.424   4.9322  167.292   6.6925  163.203   7.2971  149.702   2.9984  147.839   3.3105 1.862610 4.466515 
1 1 1    1   21    3 o  191.994   2.0974  274.990   6.0039  281.636   8.2009  267.314   8.8138  194.245   2.8317  189.215   3.1242 5.029373 4.216515 
1 1 1    1   21    4 o   34.459   7.3199   9.2672   3.6447   14.455   5.4624   5.1043   4.8933   42.987   8.8184   27.539   9.6490 15.44827 13.07162 
1 1 1    1   21    5 o  171.553   2.1310  219.584   5.4508  214.954   7.3516  225.237   8.1232  169.673   2.9060  173.662   3.1373 -3.988312 4.276381 
1 1 1    1   21    6 o  151.721   2.2071  171.775   4.9928  171.227   6.8339  172.403   7.3123  151.413   3.0271  151.913   3.2284 -0.4996643 4.425626 
1 1 1    1   21    7 o  140.522   2.5592  147.424   5.3618  145.632   6.5367  151.110   9.3739  139.613   3.1402  142.060   4.4257 -2.446945 5.426563 
1 1 1    1   21    8 o  131.262   2.3687  128.627   4.6358  129.184   6.5037  128.052   6.6097  131.457   3.3182  130.872   3.3874 0.5848541 4.741817 
1 1 1    1   21    9 o  134.087   2.5573  134.281   5.1126  136.796   7.8214  132.405   6.7557  135.175   3.8808  133.053   3.4055 2.122284 5.163098 
1 1 1    1   21   10 o   89.324   3.4107   59.695   4.5423   56.421   7.2800   61.781   5.8125   86.384   5.6841   90.776   4.2946 -4.392525 7.124094 
1 1 1    1   21   11 o   89.903   3.2352   60.467   4.3366   66.739   6.3249   54.903   5.9574   94.297   4.4987   85.375   4.6982 8.921646 6.504727 
1 1 1    1   21   12 o   77.823   3.4447   45.358   3.9969   39.173   6.2381   49.665   5.2059   71.778   5.8806   81.216   4.3146 -9.438339 7.293651 
1 1 1    1   21   13 o   52.627   5.3376   21.142   4.1303   24.658   6.1926   18.325   5.5433   56.260   7.5750   48.247   7.9853 8.012280 11.00663 
1 1 1    1   21   14 o   35.669   7.0943   10.121   3.6401   1.5584   6.9141   13.404   4.2815   25.478   10.716   41.137   7.2452 -15.65911 12.93519 
1 1 1    1   21   15 o   57.473   4.1042   25.152   3.4937   24.597   5.8676   25.456   4.3487   55.633   7.2458   57.488   5.1273 -1.854885 8.876397 
1 1 1    1   21   16 o   65.062   3.7689   32.281   3.6403   47.716   6.1871   24.108   4.5021   78.312   5.3306   55.466   5.5172 22.84555 7.671731 
1 1 1    1   21   17 o   72.426   3.4845   39.992   3.7627   50.767   6.2297   33.804   4.7212   80.348   5.2287   65.752   4.8500 14.59605 7.131731 
1 1 1    1   22    0 o   39.029   8.5785   12.919   4.3688   12.919   4.3688   12.919   4.3688   39.029   8.5785   39.029   8.5785 0.000000 0.000000 
1 1 1    1   22    1 o   92.666   2.8097   64.107   3.8819   64.090   5.1590   64.130   5.8939   92.603   3.7365   92.596   4.2692 0.7537842E-02 5.673393 
1 1 1    1   22    2 o  204.336   2.1048  311.524   6.4124  309.346   8.6742  314.149   9.5219  203.550   2.8582  205.094   3.1139 -1.544632 4.226731 
1 1 1    1   22    3 o  202.775   2.3644  306.863   7.1482  307.870   10.990  306.125   9.4106  202.957   3.6320  202.450   3.1177 0.5074463 4.786551 
1 1 1    1   22    4 o   22.793   8.2121   3.3026   3.5665   1.6052   5.1628   4.8519   4.9325   23.203   9.4608   27.160   9.6711 -3.957766 13.52910 
1 1 1    1   22    5 o  115.948   2.4425  100.356   4.2226  101.131   5.6046   99.340   6.4217  116.337   3.2311  115.257   3.7369 1.079819 4.940131 
1 1 1    1   22    6 o  125.930   2.3810  118.384   4.4704  113.825   5.9729  124.191   6.7409  123.408   3.2461  128.878   3.5081 -5.469467 4.779533 
1 1 1    1   22    7 o  116.423   2.8118  101.259   4.8809  102.737   5.9079   98.083   8.6631  117.215   3.3805  114.311   5.0830 2.903831 6.104449 
1 1 1    1   22    8 o  145.535   2.4964  158.187   5.4168  165.788   8.2172  152.345   7.2036  148.827   3.7032  142.712   3.3854 6.114243 5.017430 
1 1 1    1   22    9 o  102.680   2.7648   78.791   4.2327   77.053   6.0414   80.466   5.9321  101.406   3.9958  103.648   3.8386 -2.242088 5.540860 
1 1 1    1   22   10 o   25.772   8.3937   4.9191   3.7006   6.9534   6.1717   3.7772   4.6240   31.265   10.843   25.000   9.2935 6.265181 14.28073 
1 1 1    1   22   11 o  176.363   2.8189  232.593   7.4124  243.183   11.033  223.881   10.007  180.022   4.1106  172.790   3.8844 7.231827 5.655550 
1 1 1    1   22   12 o  159.354   2.8599  190.040   6.7950  193.941   8.8530  184.447   10.600  160.774   3.6932  156.531   4.5421 4.242462 5.854097 
1 1 1    1   22   13 o   56.451   4.5518   24.214   3.7986   28.592   6.0861   21.420   4.8617   60.697   6.8447   52.600   6.3260 8.097130 9.320323 
1 1 1    1   22   14 o   32.280   7.3864   8.4362   3.4780   8.7463   5.8566   8.2673   4.3228   32.728   10.551   31.722   8.8203 1.005245 13.75235 
1 1 1    1   22   15 o   34.641   6.8706   9.7566   3.4233   10.533   5.2653   9.1879   4.5055   34.950   9.7403   32.904   8.9477 2.046150 13.22629 
1 1 1    1   22   16 o   52.143   4.5293   21.116   3.4863   24.259   5.4115   18.885   4.5583   54.625   6.7910   48.293   6.4954 6.332531 9.397207 
1 1 1    1   22   17 o   33.347   6.7035   9.3769   3.2173   5.4388   5.3138   11.656   4.0425   25.776   9.8776   36.689   7.6382 -10.91278 12.48635 
1 1 1    1   23    0 o   14.328   9.5005  -1.3830   5.3586  -1.3830   5.3586  -1.3830   5.3586   14.328   9.5005   14.328   9.5005 0.000000 0.000000 
1 1 1    1   23    1 o  115.382   3.1637   99.467   5.4426   98.530   7.2288  100.693   8.2699  114.737   4.2256  115.925   4.7846 -1.188248 6.383478 
1 1 1    1   23    2 o   69.178   3.8979   35.912   4.0040   39.863   5.8705   32.475   5.4753   72.678   5.4574   65.525   5.6600 7.153114 7.862465 
1 1 1    1   23    3 o   50.705   4.2735   19.384   3.2006   20.112   4.0150   18.115   5.3014   51.503   5.3044   48.407   7.5952 3.095821 9.264144 
1 1 1    1   23    4 o   24.565   7.5819   4.5570   3.0550   6.3577   3.7437   0.9674   5.2856   28.650   8.2906   22.671   9.4401 5.978617 12.56383 
1 1 1    1   23    5 o  202.525   2.1668  306.154   6.5430  300.435   8.6771  313.691   9.9616  200.524   2.9023  204.840   3.2617 -4.315704 4.365993 
1 1 1    1   23    6 o  111.662   2.6038   93.133   4.3349   87.665   5.7204  100.509   6.6436  108.244   3.5444  115.866   3.8457 -7.621330 5.229972 
1 1 1    1   23    7 o   37.015   6.1349   10.600   3.2672   11.707   4.2924   9.0740   5.0376   38.614   7.7254   33.928   9.5529 4.686104 12.28577 
1 1 1    1   23    8 o   59.460   3.9176   26.607   3.4536   23.612   4.6465   30.303   5.1624   55.698   5.6745   63.196   5.5347 -7.497971 7.926698 
1 1 1    1   23    9 o   77.661   3.3836   45.148   3.9179   43.388   5.5135   46.943   5.5683   75.806   4.9044   78.891   4.7562 -3.085678 6.831894 
1 1 1    1   23   10 o   57.819   4.5414   25.278   3.8835   22.168   5.3195   28.826   5.6826   53.634   6.8052   61.394   6.2971 -7.759102 9.271684 
1 1 1    1   23   11 o   76.887   3.6985   44.355   4.2398   43.780   6.0447   44.911   5.9485   75.935   5.3737   76.954   5.2153 -1.019157 7.488424 
1 1 1    1   23   12 o   35.883   8.1794   10.355   4.2787   11.270   5.4235   8.8466   6.9628   37.161   9.6889   33.889   11.525 3.271587 15.05689 
1 1 1    1   23   13 o   15.286   7.0330  -2.5009   3.6883  -2.4867   6.2913  -2.5084   4.5528   20.902   9.4490   17.363   7.9232 3.538122 12.33133 
1 1 1    1   23   14 o   39.714   5.7946   12.437   3.3301   9.6134   5.4798   14.090   4.1932   33.558   10.115   41.849   6.9652 -8.290802 12.28096 
1 1 1    1   23   15 o   14.547   6.7777  -2.7338   3.5896  -4.9523   5.2247  -0.7504   4.9402   16.629   7.8803   19.172   8.5426 -2.542635 11.62214 
1 1 1    1   23   16 o   60.984   4.7526   29.179   4.2872   30.007   6.1481   28.395   5.9814   60.181   6.9815   58.518   6.9942 1.663548 9.882312 
1 1 1    1   24    0 o   15.738   9.6834   1.4755   4.4145   1.4755   4.4145   1.4755   4.4145   15.738   9.6834   15.738   9.6834 0.000000 0.000000 
1 1 1    1   24    1 o  136.368   2.3403  138.838   4.7582  138.989   6.4173  138.652   7.0914  136.360   3.1564  136.154   3.4933 0.2063446 4.708075 
1 1 1    1   24    2 o  153.895   2.3087  176.818   5.2973  180.894   7.0523  171.540   8.0247  155.575   3.0403  151.429   3.5543 4.146133 4.677218 
1 1 1    1   24    3 o  132.319   2.7969  130.814   5.5178  126.362   8.1521  134.577   7.4959  129.865   4.2103  134.089   3.7494 -4.224808 5.637746 
1 1 1    1   24    4 o  121.538   2.4843  110.325   4.5018  103.548   5.7170  121.384   7.3036  117.668   3.2587  127.320   3.8474 -9.652023 5.041966 
1 1 1    1   24    5 o  146.265   2.5044  159.805   5.4615  149.430   7.2846  173.124   8.2534  141.310   3.4575  152.069   3.6402 -10.75967 5.020467 
1 1 1    1   24    6 o   75.266   4.2686   42.627   4.7705   42.132   4.9526   48.988   17.755   74.794   4.4615   76.604   16.058 -1.809235 16.66656 
1 1 1    1   24    7 o  135.309   2.4819  136.791   5.0071  130.962   6.6537  144.402   7.6033  132.270   3.3739  138.839   3.6730 -6.568817 4.987353 
1 1 1    1   24    8 o  113.768   2.7483   96.767   4.6617   89.630   6.2817  105.516   6.9549  109.340   3.8533  118.621   3.9324 -9.280464 5.505579 
1 1 1    1   24    9 o  123.522   3.1950  114.230   5.8842  114.010   8.9555  114.397   7.8056  123.055   4.8811  123.413   4.2420 -0.3578110 6.466857 
1 1 1    1   24   10 o   25.880   8.2855   5.0761   3.6162  -1.6561   5.0272   12.295   5.2056   19.353   8.6208   39.092   9.1013 -19.73947 12.53603 
1 1 1    1   24   11 o   40.669   7.4556   13.105   4.3542   8.1462   5.5336   21.167   7.0558   32.145   10.245   51.168   9.6013 -19.02273 14.04080 
1 1 1    1   24   12 o   48.587   5.8169   18.304   4.1301   24.202   6.3606   14.004   5.4308   55.131   7.9694   41.309   9.0663 13.82147 12.07099 
1 1 1    1   24   13 o   24.434   8.1845   4.6163   3.5107   1.8788   5.3462   6.6917   4.6549   22.898   9.5108   28.756   9.4164 -5.857960 13.38374 
1 1 1    1   24   14 o   80.151   3.4732   48.759   4.1506   51.800   7.9469   47.618   4.8672   80.482   6.6831   78.805   4.1571 1.676788 7.870522 
1 1 1    1   24   15 o   16.016   7.3152  -1.6747   3.8926  -2.1064   5.2455  -1.1457   5.8071   18.353   8.4233   20.025   9.0631 -1.671705 12.37302 
1 1 1    1   24   16 o   50.540   4.9470   20.394   3.6800   19.730   5.5406   20.919   4.9226   47.187   8.1711   49.790   6.8095 -2.603073 10.63655 
1 1 1    1   25    0 o   56.556   6.2581   24.822   5.1119   24.822   5.1119   24.822   5.1119   56.556   6.2581   56.556   6.2581 0.000000 0.000000 
1 1 1    1   25    1 o   63.541   3.9746   30.371   3.7466   32.305   4.8831   27.603   5.8416   65.367   5.0496   60.071   6.6330 5.296101 8.336307 
1 1 1    1   25    2 o   54.687   5.8945   22.804   4.7302   25.132   7.1414   20.984   6.3138   56.743   8.7203   51.818   8.4645 4.924690 12.15283 
1 1 1    1   25    3 o   64.176   3.9217   30.979   3.7345   32.037   4.6251   28.997   6.3299   65.125   4.7970   61.468   7.0335 3.657436 8.513600 
1 1 1    1   25    4 o   52.718   5.5412   21.168   4.2903   21.168   4.2903   0.0000   0.0000   52.718   5.5412  ?   ?  0.000000 5.541159 
1 1 1    1   25    5 o   76.868   3.4386   44.242   3.9409   42.899   4.9013   46.699   6.6284   75.466   4.3748   78.474   5.7042 -3.007843 7.188680 
1 1 1    1   25    6 o   87.958   3.8510   58.009   5.0503   58.749   5.2377   48.229   19.049   88.501   3.9694   74.877   17.395 13.62414 17.84213 
1 1 1    1   25    7 o   95.393   3.0731   68.100   4.3709   76.533   5.7786   56.825   6.6820  101.018   3.8367   86.679   5.1943 14.33929 6.457612 
1 1 1    1   25    8 o   43.366   5.9805   14.497   3.7639   14.326   4.8205   14.764   6.0246   42.625   7.8752   42.827   9.6645 -0.2017975 12.46684 
1 1 1    1   25    9 o   81.077   3.9629   49.400   4.7905   45.068   7.5986   52.257   6.1715   76.597   6.7215   83.046   5.0077 -6.449181 8.381829 
1 1 1    1   25   10 o   74.507   4.2376   41.977   4.6880   38.087   7.6863   44.282   5.9157   69.908   7.4909   76.252   5.2351 -6.344315 9.138928 
1 1 1    1   25   11 o   20.009   8.3689   0.9224   4.1804   5.3584   5.3094  -6.3134   6.7809   27.558   10.006   19.364   9.1158 8.194399 13.53577 
1 1 1    1   25   12 f   55.563   5.3982   23.931   4.4156   33.639   5.9448   11.984   6.5949   65.610   6.1489   37.193   11.070 28.41660 12.66349 
1 1 1    1   25   13 o   14.921   6.7989  -1.6539   3.3369  -1.1148   5.1199  -2.0521   4.3998   19.284   8.6368   17.049   7.7833 2.234449 11.62644 
1 1 1    1   25   14 o   37.619   7.7222   12.056   4.1862   23.942   6.9763   5.3679   5.2330   52.087   9.3255   26.091   9.8486 25.99660 13.56321 
1 1 1    1   25   15 o   50.678   4.9511   20.450   3.6932   25.426   5.6091   16.642   4.9071   54.906   7.0119   43.690   7.8203 11.21672 10.50348 
1 1 1    1   26    0 o  216.457   3.1850  350.047   10.274  350.047   10.274  350.047   10.274  216.457   3.1850  216.457   3.1850 0.000000 0.000000 
1 1 1    1   26    1 o   49.147   7.2890   18.747   5.1793   13.982   6.6402   26.150   8.2764   41.626   10.654   57.377   10.040 -15.75070 14.63967 
1 1 1    1   26    2 o  117.550   3.7604  103.582   6.5906  106.305   8.3960   99.209   10.638  118.894   4.7364  114.321   6.2651 4.572311 7.853922 
1 1 1    1   26    3 o  171.326   2.6072  219.414   6.6600  215.408   7.8997  229.257   12.384  169.655   3.1230  174.577   4.7576 -4.921799 5.691052 
1 1 1    1   26    4 o   41.901   6.7604   13.651   4.0796   13.064   5.4492   14.401   6.1538   40.395   9.2472   42.300   9.9278 -1.905487 13.56732 
1 1 1    1   26    5 o  131.265   3.0568  128.960   5.9825  129.456   8.4893  128.471   8.4322  131.254   4.3380  130.757   4.3252 0.4971466 6.125814 
1 1 1    1   26    6 o  110.223   3.0282   90.943   4.9766   88.684   6.1585   95.194   8.4484  108.718   3.7993  112.363   5.0430 -3.644455 6.313944 
1 1 1    1   26    7 o  129.640   2.8864  125.802   5.5792  129.118   6.9081  119.582   9.4610  131.206   3.5313  125.872   5.0413 5.333641 6.155050 
1 1 1    1   26    8 o   94.750   3.5162   67.387   4.9674   64.538   6.1148   72.915   8.5179   92.539   4.4319   97.799   5.8686 -5.260124 7.354077 
1 1 1    1   26    9 o   94.148   3.7061   66.683   5.2024   70.933   8.4249   64.064   6.6140   96.267   5.8981   91.863   4.8461 4.404099 7.633618 
1 1 1    1   26   10 o   81.044   3.6758   49.514   4.4416   51.432   6.4963   47.829   6.0864   81.932   5.3473   79.060   5.1922 2.871803 7.453362 
1 1 1    1   26   11 o   27.508   8.9125   6.0821   4.1748   27.909   7.3102  -4.4819   5.0857   58.376   8.6617   16.921   7.9431 41.45501 11.75234 
1 1 1    1   26   12 o   30.157   8.2667   7.7038   3.8277   7.1573   6.0940   8.0599   4.9192   29.608   10.725   30.623   9.6488 -1.014870 14.42620 
1 1 1    1   26   13 o   39.437   7.0088   12.939   3.9702   20.370   6.8491   9.1790   4.8722   47.428   10.001   31.929   9.5181 15.49907 13.80598 
1 1 1    1   26   14 o   31.820   6.8074   8.6259   3.1320   7.7394   4.9241   9.2282   4.0588   28.864   9.6930   31.991   8.4015 -3.126738 12.82726 
1 1 1    1   26   15 o   49.677   4.5253   19.684   3.3150   21.901   5.4201   18.359   4.1900   49.747   7.5443   46.708   6.1675 3.039330 9.744436 
1 1 1    1   27    0 o   33.853   14.737   12.570   7.7122   12.570   7.7122   12.570   7.7122   33.853   14.737   33.853   14.737 0.000000 0.000000 
1 1 1    1   27    1 o   84.437   4.8873   53.887   6.1264   53.286   7.9201   54.783   9.6667   83.554   6.4064   84.269   7.7817 -0.7146301 10.07952 
1 1 1    1   27    2 o  133.430   2.9212  133.231   5.8114  133.014   6.7223  133.871   11.562  133.234   3.3840  132.995   5.8307 0.2395477 6.741533 
1 1 1    1   27    3 o  130.060   2.6632  126.514   5.1645  128.714   6.5419  122.875   8.4136  131.063   3.3478  127.814   4.4150 3.248741 5.540755 
1 1 1    1   27    4 o  140.965   2.6962  148.649   5.6666  149.082   7.0225  147.842   9.5939  141.040   3.3395  140.123   4.5921 0.9169312 5.678013 
1 1 1    1   27    5 o  123.402   3.5046  114.228   6.4481  114.228   6.4481   0.0000   0.0000  123.402   3.5046  ?   ?  0.000000 3.504610 
1 1 1    1   27    6 o   92.097   3.2845   63.608   4.5101   67.819   5.8091   57.216   7.1560   94.940   4.1038   86.700   5.5652 8.239670 6.914682 
1 1 1    1   27    7 o  100.471   3.1104   75.708   4.6594   78.469   6.0874   71.802   7.2404  102.086   3.9994   97.257   5.0101 4.828957 6.410643 
1 1 1    1   27    8 o   75.466   4.2525   43.152   4.7653   39.531   7.1812   46.001   6.3699   71.310   6.8381   77.495   5.5498 -6.184547 8.806806 
1 1 1    1   27    9 o   83.708   3.5964   52.843   4.4885   55.592   6.2363   49.889   6.4653   85.297   4.9247   80.584   5.4125 4.712708 7.317584 
1 1 1    1   27   10 o   18.108   7.6900   0.5026   3.6165   4.6117   5.1134  -3.6102   5.1157   25.878   9.7426   17.542   8.1456 8.336079 12.69920 
1 1 1    1   27   11 o   17.589   7.6407   0.0230   3.7266  -1.4577   4.7136   2.4916   6.0861   18.178   8.2020   24.111   10.092 -5.932241 13.00484 
1 1 1    1   27   12 o   36.274   6.6597   10.894   3.4691   3.9391   4.8761   18.021   4.9364   23.885   9.3762   46.409   7.3813 -22.52434 11.93303 
1 1 1    1   27   13 o   43.921   5.1368   15.453   3.3003   14.729   4.9370   16.039   4.4376   40.635   8.4252   43.473   7.0907 -2.837864 11.01193 
1 1 1    1   27   14 o   15.575   6.9001  -0.1127   3.1774   5.5270   4.7464  -4.6928   4.2773   24.776   9.3729   14.218   6.8430 10.55756 11.60510 
1 1 1    1   28    0 o   78.789   4.9703   47.050   5.7855   47.050   5.7855   47.050   5.7855   78.789   4.9703   78.789   4.9703 0.000000 0.000000 
1 1 1    1   28    1 o   61.997   4.7788   29.164   4.3832   27.592   5.0155   34.244   9.0180   60.079   5.6661   65.660   9.4869 -5.580544 11.05014 
1 1 1    1   28    2 o   95.468   3.0386   68.282   4.3251   66.023   5.6147   71.579   6.7827   93.702   4.0189   97.418   4.6698 -3.715790 6.161042 
1 1 1    1   28    3 o   91.008   3.1631   62.091   4.2921   60.076   5.4011   65.543   7.0705   89.360   4.0539   92.951   5.1216 -3.590797 6.531795 
1 1 1    1   28    4 o   63.217   4.1283   30.218   3.8698   30.685   4.7188   29.258   6.7625   63.494   5.0257   61.199   7.5729 2.294449 9.088803 
1 1 1    1   28    5 o   81.763   3.4262   50.215   4.1768   49.438   5.2191   51.599   6.9655   80.830   4.3466   82.145   5.7230 -1.314659 7.186550 
1 1 1    1   28    6 o   44.539   5.8153   15.386   3.7695   18.167   4.6789   10.244   6.3631   48.173   6.6954   35.348   10.948 12.82530 12.83269 
1 1 1    1   28    7 o  129.929   2.8749  126.725   5.5694  126.540   7.7414  126.923   8.0184  129.413   4.0121  129.547   4.1514 -0.1343384 5.773296 
1 1 1    1   28    8 o   59.055   7.2404   27.707   6.2416   0.0000   0.0000   27.707   6.2416  ?   ?    59.055   7.2404 0.000000 7.240385 
1 1 1    1   28    9 o   22.312   8.1773   3.4752   3.5580   0.0353   4.8638   7.4350   5.2185   20.013   8.7114   29.941   9.9781 -9.927828 13.24579 
1 1 1    1   28   10 o   19.630   8.1824   1.3709   3.9771   4.3980   4.9342  -4.2429   6.7194   24.893   9.5231   19.744   9.2237 5.149078 13.25765 
1 1 1    1   28   11 o   20.091   8.1806   2.0912   3.8534   1.9132   4.8603   2.3925   6.3228   21.351   8.9823   23.675   10.114 -2.324562 13.52663 
1 1 1    1   28   12 o   46.449   5.2465   17.343   3.5697   14.263   5.0427   20.438   5.0540   39.611   8.7700   49.069   7.1157 -9.458450 11.29361 
1 1 1    1   28   13 o   29.839   7.4663   8.0289   3.3136   11.760   5.0956   5.2954   4.3617   34.424   9.5780   24.294   9.0271 10.12975 13.16157 
1 1 1    1   29    0 o   11.397   7.8890  -3.6602   4.5932  -3.6602   4.5932  -3.6602   4.5932   11.397   7.8890   11.397   7.8890 0.000000 0.000000 
1 1 1    1   29    1 o   81.524   3.3104   49.913   4.0238   47.063   5.3157   53.739   6.1579   78.781   4.5448   84.077   4.9339 -5.295738 6.708114 
1 1 1    1   29    2 o   82.199   3.2792   50.748   4.0189   47.823   5.1285   55.402   6.4693   79.459   4.3454   85.290   5.1109 -5.831505 6.708445 
1 1 1    1   29    3 o   68.942   3.8561   35.928   3.9479   39.971   4.9545   28.898   6.5340   72.521   4.6060   60.670   7.3750 11.85156 8.695179 
1 1 1    1   29    4 o   17.597   7.6315  -0.2555   3.7055   0.4062   4.2266  -2.4535   7.7032   19.500   8.2979   23.357   10.517 -3.857025 13.39616 
1 1 1    1   29    5 o   50.679   4.8543   19.709   3.6231   24.269   4.6072   12.319   5.8654   56.039   5.5886   38.270   10.123 17.76987 11.56350 
1 1 1    1   29    6 o   37.639   6.6282   11.306   3.5838   12.545   4.5162   9.1974   5.8894   39.175   8.0025   33.198   10.568 5.976898 13.25601 
1 1 1    1   29    7 o   20.643   8.2018   2.1773   3.7731   5.1488   5.1764  -1.1909   5.5112   26.642   9.8470   20.158   8.9995 6.483362 13.33997 
1 1 1    1   29    8 o   25.678   8.8573   5.2430   4.1155   2.3662   6.4168   7.2533   5.3641   24.489   10.313   29.459   10.115 -4.969595 14.44516 
1 1 1    1   29    9 o   57.782   4.5218   25.926   3.8645   30.011   5.4618   21.831   5.4686   61.254   6.0599   51.353   7.3520 9.900917 9.527580 
1 1 1    1   29   10 o   65.850   4.4472   33.836   4.3407   33.756   5.2802   34.004   7.6235   65.017   5.4984   62.671   8.3676 2.346367 10.01249 
1 1 1    1   29   11 f   25.352   8.1953   5.7237   3.5314   7.2484   4.7586   3.8547   5.2685   27.847   9.5278   23.417   9.5536 4.430107 13.49263 
1 1 1    1   29   12 o   35.952   6.9358   11.337   3.5832   12.422   4.8757   10.062   5.2836   35.729   9.1213   31.242   10.017 4.487186 13.54726 
1 1 1    1   30    0 o   56.998   6.1909   25.355   5.1039   25.355   5.1039   25.355   5.1039   56.998   6.1909   56.998   6.1909 0.000000 0.000000 
1 1 1    1   30    1 o   45.881   5.1326   16.258   3.4509   22.403   4.6913   9.0127   5.0942   53.647   5.9662   32.947   9.7108 20.70039 11.39713 
1 1 1    1   30    2 o   26.816   7.6052   5.8180   3.1809   5.7686   4.1461   5.8887   4.9590   27.077   8.8879   27.824   9.7156 -0.7478848 13.16764 
1 1 1    1   30    3 o   56.825   4.3236   24.663   3.6357   21.248   4.5200   30.921   6.1192   52.170   5.9155   62.707   6.6462 -10.53732 8.897537 
1 1 1    1   30    4 o   53.565   5.0677   22.174   3.9991   22.873   4.6044   20.029   8.0688   54.121   5.7963   47.657   11.490 6.464314 12.86908 
1 1 1    1   30    5 o   61.953   4.3094   29.403   3.9558   27.571   5.2350   31.840   6.0395   59.239   6.0103   63.447   6.4752 -4.207355 8.834717 
1 1 1    1   30    6 o   26.754   8.0576   5.9521   3.4785   9.1601   4.4564   0.9494   5.5650   32.660   8.9060   21.936   9.4324 10.72474 12.97257 
1 1 1    1   30    7 o   52.061   4.9936   21.224   3.8285   30.693   5.2913   10.819   5.5464   62.214   5.7700   34.594   10.115 27.62003 11.64460 
1 1 1    1   30    8 o   24.778   8.0307   5.1937   3.3893   4.4768   4.5302   6.1053   5.1082   24.209   9.1573   26.904   9.8075 -2.695223 13.41804 
1 1 1    1   30    9 o   55.180   4.8527   24.125   3.9518   24.042   5.1246   24.248   6.2072   53.856   6.5144   52.660   8.1706 1.196274 10.44970 
1 1 1    1   30   10 o   39.362   6.0470   12.938   3.4353   14.556   4.5331   10.756   5.2653   40.441   7.8007   32.914   9.9134 7.527206 12.61449 
1 1 1    1   30   11 o   56.860   4.6813   26.028   3.9334   22.645   5.3555   29.990   5.7959   50.459   7.3333   58.860   6.7250 -8.401436 9.950021 
1 1 1    1   31    0 o   17.492   10.399   2.7888   4.7395   2.7888   4.7395   2.7888   4.7395   17.492   10.399   17.492   10.399 0.000000 0.000000 
1 1 1    1   31    1 o   64.774   4.0139   32.058   3.8574   35.685   5.3205   28.039   5.6005   67.751   5.3095   59.441   6.4214 8.310108 8.332188 
1 1 1    1   31    2 o   37.764   6.6975   11.560   3.6330   6.1329   4.5899   20.663   5.9444   27.475   9.3576   49.861   8.2870 -22.38659 12.49954 
1 1 1    1   31    3 f   36.941   6.3814   11.031   3.3877   13.479   4.3413   7.2191   5.4172   40.386   7.4853   29.377   10.160 11.00895 12.61990 
1 1 1    1   31    4 o   20.179   7.8135   2.5017   3.3501   2.0970   4.2034   3.2066   5.5467   20.919   8.5338   24.071   9.8096 -3.152449 13.00208 
1 1 1    1   31    5 o   21.581   7.8105   3.4807   3.2313   2.7652   4.3212   4.3882   4.8669   21.806   8.7395   24.589   9.4458 -2.782953 12.86862 
1 1 1    1   31    6 o   47.788   4.8251   17.990   3.3908   22.764   4.6935   12.778   4.9042   53.044   6.0424   37.868   8.8459 15.17580 10.71267 
1 1 1    1   31    7 o   21.546   8.9174   2.5679   4.6757   5.2583   11.295   2.0115   5.1365   28.907   12.896   21.507   9.1497 7.399940 15.81209 
1 1 1    1   31    8 o   19.203   7.8228   2.1194   3.5259   2.7257   4.4716   1.1228   5.7329   21.197   8.7421   21.085   9.3083 0.1117706 12.76989 
1 1 1    1   31    9 o   16.067   7.1104   0.0239   3.3648  -2.2102   4.3417   3.3836   5.3243   15.950   7.4388   22.382   9.4081 -6.432801 11.99366 
1 1 1    1   31   10 o   24.624   8.6126   5.8754   3.8978   3.0171   4.7887   11.487   6.7098   21.015   8.8825   31.053   11.252 -10.03785 14.33586 
1 1 1    1   32    0 o   27.623   11.673   8.5815   4.8585   8.5815   4.8585   8.5815   4.8585   27.623   11.673   27.623   11.673 0.000000 0.000000 
1 1 1    1   32    1 o   29.634   7.5391   7.5274   3.3391   9.5573   4.6246   5.3166   4.8262   32.642   9.1396   25.703   9.5064 6.939625 13.18730 
1 1 1    1   32    2 o   59.901   4.0778   27.760   3.6203   30.619   4.9401   24.444   5.3206   62.102   5.3888   54.566   6.6794 7.536076 8.582160 
1 1 1    1   32    3 o   27.494   7.6195   6.5492   3.2315   9.2067   4.3726   3.3506   4.7970   31.959   8.8655   22.835   9.1882 9.123999 12.76790 
1 1 1    1   32    4 o   18.436   7.5388   1.6843   3.2901   5.7101   4.1896  -4.7933   5.3144   25.642   8.9314   16.492   7.8531 9.150623 11.89296 
1 1 1    1   32    5 o   29.945   7.2441   7.8243   3.1991   13.264   4.4188   1.8326   4.6376   38.748   7.9161   20.511   8.7093 18.23626 11.76933 
1 1 1    1   32    6 o   23.190   7.9842   4.6762   3.3434   8.3163   4.4681   0.0451   5.0398   29.504   9.1797   19.137   8.5701 10.36726 12.55840 
1 1 1    1   32    7 o   18.209   7.8902   1.0201   3.9540   11.760   6.3142  -5.9085   5.0716   32.843   10.976   15.031   7.2872 17.81181 13.17514 
1 1 1    1   32    8 o   35.473   7.0932   11.298   3.6204   13.394   4.9064   8.7924   5.3643   36.782   9.0165   28.652   10.098 8.129873 13.53757 
1 1 1    1   32    9 o   11.437   5.6524  -6.3025   3.5313  -4.8281   4.2823  -9.4357   6.2426   13.754   6.6745   14.969   7.4193 -1.214847 9.979758 
1 1 1    1   33    0 o   22.705   11.054   6.2537   4.3998   6.2537   4.3998   6.2537   4.3998   22.705   11.054   22.705   11.054 0.000000 0.000000 
1 1 1    1   33    1 o   48.472   4.8833   18.813   3.4811   25.065   4.7344   11.455   5.1362   55.230   5.8379   34.322   9.6397 20.90728 11.26963 
1 1 1    1   33    2 o   45.041   4.9836   16.339   3.2907   14.243   4.3793   19.057   4.9871   40.155   7.5928   46.744   7.4022 -6.589333 10.60397 
1 1 1    1   33    3 o   27.969   7.5419   7.0577   3.2169   8.2194   4.3504   5.6561   4.7785   29.237   9.0516   25.034   9.4195 4.202404 13.06365 
1 1 1    1   33    4 o   17.498   7.3103   1.4460   3.1847  -5.4080   4.1423   11.354   4.9803   13.486   6.5490   33.764   9.4954 -20.27816 11.53488 
1 1 1    1   33    5 o   12.152   5.9358  -5.2936   3.5431  -3.6676   4.1706  -9.5103   6.7161   14.491   6.9161   15.993   7.8836 -1.501576 10.48730 
1 1 1    1   33    6 o   46.593   6.8022   19.184   4.5862   29.485   7.1128   11.854   5.9999   54.940   8.9946   32.214   10.697 22.72565 13.97630 
1 1 1    1   33    7 o   14.799   6.8934  -1.5715   3.7097  -2.0342   4.4903  -0.5767   6.5839   15.830   7.4416   19.435   9.0958 -3.604247 11.75201 
1 1 1    1   34    0 o   71.101   5.2491   39.549   5.4948   39.549   5.4948   39.549   5.4948   71.101   5.2491   71.101   5.2491 0.000000 0.000000 
1 1 1    1   34    1 o   24.295   7.9361   5.5926   3.3072   5.9365   4.7203   5.2610   4.6350   24.597   9.3371   23.653   9.1817 0.9436855 13.09521 
1 1 1    1   34    2 o   19.826   7.6546   3.1912   3.2080   5.9445   4.4061   0.0850   4.6799   24.521   9.0805   17.955   8.1302 6.566723 12.18835 
1 1 1    1   34    3 o   14.985   6.7551  -0.3387   3.1888  -0.8007   4.2720   0.2425   4.7918   16.507   7.5855   18.129   8.2163 -1.621675 11.18246 
1 1 1    1   34    4 o   32.779   7.8011   10.356   3.7575   6.3877   4.5894   18.426   6.5445   24.715   9.2445   39.940   10.752 -15.22539 14.17969 
1 1 1    1   34    5 o   39.005   6.3695   13.619   3.5763   16.526   4.8514   10.158   5.2928   40.832   8.2526   29.305   10.048 11.52781 13.00276 
1 1 1    1   34    6 o   49.497   7.0805   23.026   5.0765   25.406   13.196   22.613   5.4997   32.006   14.127   47.748   8.0089 -15.74158 16.23895 
1 1 1    1   35    0 o   17.685   10.256   3.8967   4.4198   3.8967   4.4198   3.8967   4.4198   17.685   10.256   17.685   10.256 0.000000 0.000000 
1 1 1    1   35    1 o   52.432   4.5398   22.760   3.5140   25.687   5.0187   19.944   4.9219   53.162   6.4647   45.438   7.5288 7.724155 9.923470 
1 1 1    1   35    2 o   35.439   6.5638   11.622   3.3405   11.862   4.5073   11.329   4.9757   32.842   8.9573   30.837   9.7023 2.005033 13.20478 
1 1 1    1   35    3 o   17.404   7.4561   1.9501   3.4542   2.7616   4.1871   0.2209   6.1119   18.977   8.1712   18.487   8.6878 0.4900398 11.92668 
1 1 1    2    1    0 o  267.788   2.5901  534.766   10.339  534.766   10.339  534.766   10.339  267.788   2.5901  267.788   2.5901 0.000000 0.000000 
1 1 1    2    1    1 o  726.969   3.5340  3940.46   38.304  3924.72   49.206  3964.66   61.023  725.474   4.5491  729.102   5.6135 -3.627991 7.225361 
1 1 1    2    1    2 o  198.068   1.3550  292.471   4.0016  295.240   6.9484  291.096   4.8949  198.998   2.3419  197.601   1.6614 1.397354 2.871354 
1 1 1    2    1    3 o  205.350   1.7773  314.379   5.4417   0.0000   0.0000  314.379   5.4417  ?   ?   205.350   1.7773 0.000000 1.777326 
1 1 1    2    1    4 o  649.072   2.7731  3141.31   26.837  3085.18   40.212  3186.40   36.037  643.165   4.1934  653.663   3.6976 -10.49817 5.590780 
1 1 1    2    1    5 o  219.134   1.3475  358.009   4.4027  361.574   6.6456  355.221   5.8776  220.211   2.0241  218.272   1.8061 1.939026 2.712706 
1 1 1    2    1    6 o  315.001   1.4943  739.799   7.0181  752.479   11.221  731.653   8.9942  317.661   2.3693  313.250   1.9258 4.411438 3.053187 
1 1 1    2    1    7 o  438.831   1.8192  1435.76   11.903  1434.07   18.833  1436.88   15.359  438.538   2.8803  438.987   2.3466 -0.4490967 3.715237 
1 1 1    2    1    8 o  264.294   1.6075  520.767   6.3346  523.758   11.134  519.336   7.7027  265.035   2.8176  263.927   1.9575 1.107910 3.430807 
1 1 1    2    1    9 o  191.613   1.5572  273.726   4.4487  274.279   6.9523  273.343   5.7890  191.798   2.4312  191.475   2.0278 0.3232117 3.165838 
1 1 1    2    1   10 o  327.149   2.2255  797.978   10.855  788.827   13.142  817.628   19.258  325.258   2.7100  331.107   3.9010 -5.849060 4.749931 
1 1 1    2    1   11 o  397.099   1.8984  1175.69   11.240  1179.42   17.670  1173.16   14.566  397.690   2.9801  396.654   2.4630 1.035522 3.866218 
1 1 1    2    1   12 o  106.848   2.7845   85.144   4.4359   0.0000   0.0000   85.144   4.4359  ?   ?   106.848   2.7845 0.000000 2.784510 
1 1 1    2    1   13 o  499.219   2.2743  1858.67   16.928  1863.54   29.480  1856.27   20.677  499.663   3.9571  498.846   2.7801 0.8172913 4.836073 
1 1 1    2    1   14 o   31.813   9.5582   7.6901   4.8992   7.6901   4.8992   0.0000   0.0000   31.813   9.5582  ?   ?  0.000000 9.558213 
1 1 1    2    1   15 o   56.674   3.7274   24.094   3.1321   26.287   5.3299   22.938   3.8709   58.909   6.1593   55.180   4.7514 3.729229 7.779007 
1 1 1    2    1   16 o   68.893   4.1094   35.612   4.2019   0.0000   0.0000   35.612   4.2019  ?   ?    68.893   4.1094 0.000000 4.109435 
1 1 1    2    1   17 f  153.884   2.3760  176.735   5.4514  178.344   10.738  176.176   6.3275  154.330   4.6666  153.609   2.7628 0.7206726 5.423086 
1 1 1    2    1   18 o   86.450   3.3527   55.872   4.3215   66.541   8.8500   52.531   4.9520   93.793   6.3662   83.779   3.9644 10.01376 7.499677 
1 1 1    2    1   19 o   29.320   8.4475   6.7298   3.8943   15.591   10.543   5.3297   4.1907   44.240   14.145   26.943   8.9399 17.29713 16.73361 
1 1 1    2    1   20 o   62.263   4.7643   29.459   4.3892   0.0000   0.0000   29.459   4.3892  ?   ?    62.263   4.7643 0.000000 4.764305 
1 1 1    2    1   21 o   38.904   13.342   13.009   9.3316   0.0000   0.0000   13.009   9.3316  ?   ?    38.904   13.342 0.000000 13.34195 
1 1 1    2    1   22 o   73.978   4.1767   41.900   4.5880   0.0000   0.0000   41.900   4.5880  ?   ?    73.978   4.1767 0.000000 4.176670 
1 1 1    2    2    0 o  251.971   3.6355  473.645   13.652  473.645   13.652  473.645   13.652  251.971   3.6355  251.971   3.6355 0.000000 0.000000 
1 1 1    2    2    1 o  628.413   2.8380  2944.30   26.591  2939.21   32.456  2954.68   46.377  627.852   3.4671  629.445   4.9417 -1.593384 6.036616 
1 1 1    2    2    2 o  283.754   1.3860  600.258   5.8637  601.429   8.2985  599.091   8.2865  284.026   1.9596  283.474   1.9606 0.5525208 2.772016 
1 1 1    2    2    3 o  785.658   3.5053  4602.68   41.061  4522.08   69.675  4645.57   50.824  778.570   6.0022  789.261   4.3189 -10.69159 7.394565 
1 1 1    2    2    4 o  380.790   1.7494  1081.06   9.9322  1091.05   14.183  1071.44   13.913  382.528   2.4868  379.075   2.4617 3.452332 3.499140 
1 1 1    2    2    5 o   67.922   1.7994   34.398   1.8223   34.057   2.5270   34.767   2.6302   67.580   2.5080   68.280   2.5836 -0.7003326 3.600688 
1 1 1    2    2    6 o   89.048   1.7124   59.122   2.2735   54.269   3.1444   64.439   3.2911   85.308   2.4722   92.960   2.3745 -7.651291 3.427841 
1 1 1    2    2    7 o  768.688   2.7444  4405.95   31.453  4385.66   49.553  4419.65   40.704  766.785   4.3344  769.823   3.5463 -3.037781 5.600267 
1 1 1    2    2    8 o  211.806   1.5616  334.459   4.9314  334.508   8.6173  334.435   6.0135  211.809   2.7287  211.795   1.9043 0.1347351E-01 3.327500 
1 1 1    2    2    9 o  498.562   2.0385  1853.20   15.153  1848.38   23.847  1856.46   19.624  497.876   3.2124  498.984   2.6377 -1.108154 4.156621 
1 1 1    2    2   10 o  626.193   2.5399  2923.71   23.714  2946.20   35.742  2906.03   31.694  628.526   3.8140  624.252   3.4052 4.274109 5.112942 
1 1 1    2    2   11 o  332.804   1.7854  825.790   8.8590  814.553   13.838  833.595   11.532  330.503   2.8082  334.360   2.3132 -3.856628 3.638273 
1 1 1    2    2   12 o   69.122   3.8607   35.759   3.9630   0.0000   0.0000   35.759   3.9630  ?   ?    69.122   3.8607 0.000000 3.860737 
1 1 1    2    2   13 o  334.268   1.8438  833.206   9.1892  857.512   14.763  817.834   11.741  339.037   2.9206  331.139   2.3780 7.897614 3.766249 
1 1 1    2    2   14 o  216.684   2.8503  350.342   9.2086  357.238   13.201  343.806   12.852  218.704   4.0482  214.556   4.0176 4.148026 5.703459 
1 1 1    2    2   15 o   43.712   4.9759   14.478   3.1851   22.189   6.4750   12.016   3.6584   53.672   8.3640   39.532   6.4277 14.14023 10.54851 
1 1 1    2    2   16 o  102.237   3.1419   78.057   4.7893   0.0000   0.0000   78.057   4.7893  ?   ?   102.237   3.1419 0.000000 3.141939 
1 1 1    2    2   17 o  106.725   2.8151   85.051   4.4795   79.329   8.8040   87.050   5.2034  102.644   5.7762  107.944   3.2331 -5.299484 6.619460 
1 1 1    2    2   18 o   72.980   3.6820   39.943   3.9936   38.194   8.0802   40.509   4.5939   70.620   7.8044   73.429   4.2137 -2.808746 8.869288 
1 1 1    2    2   19 o   51.208   4.9891   19.914   3.7608   23.060   8.2241   19.082   4.2289   53.630   10.661   49.957   5.7845 3.672649 12.12883 
1 1 1    2    2   20 o   99.189   2.9901   73.751   4.4220   76.704   8.9405   72.795   5.0880  100.149   6.0154   98.450   3.4662 1.698738 6.942610 
1 1 1    2    2   21 o   88.858   9.2732   64.242   12.105   0.0000   0.0000   64.242   12.105  ?   ?    88.858   9.2732 0.000000 9.273168 
1 1 1    2    2   22 o   45.480   5.9120   16.402   3.9141   0.0000   0.0000   16.402   3.9141  ?   ?    45.480   5.9120 0.000000 5.911987 
1 1 1    2    3    0 o   20.862   6.6340   4.0944   1.8167   4.0944   1.8167   4.0944   1.8167   20.862   6.6340   20.862   6.6340 0.000000 0.000000 
1 1 1    2    3    1 o  553.118   2.8044  2281.02   23.128  2302.57   30.080  2249.87   36.171  555.701   3.6305  549.278   4.4168 6.423828 5.717366 
1 1 1    2    3    2 o  296.283   1.6477  654.449   7.2788  655.476   10.380  653.455   10.210  296.509   2.3479  296.052   2.3131 0.4570923 3.295870 
1 1 1    2    3    3 o  521.361   2.2947  2026.60   17.838  2023.52   27.269  2028.91   23.583  520.924   3.5109  521.634   3.0323 -0.7104492 4.639112 
1 1 1    2    3    4 o  173.682   1.3112  224.894   3.3954  226.677   4.8258  223.146   4.7781  174.364   1.8563  173.001   1.8524 1.363022 2.622434 
1 1 1    2    3    5 o  603.317   2.8528  2714.67   25.662  2736.48   31.704  2673.24   43.699  605.669   3.5108  598.447   4.8976 7.221985 6.025936 
1 1 1    2    3    6 o  521.751   2.2439  2029.86   17.455  2038.57   24.835  2021.37   24.539  522.807   3.1861  520.599   3.1614 2.208313 4.488364 
1 1 1    2    3    7 o   67.651   2.2459   34.123   2.2653   33.743   3.3390   34.447   3.0835   67.267   3.3292   67.967   3.0428 -0.6993790 4.510269 
1 1 1    2    3    8 o  382.845   1.9384  1092.76   11.065  1075.88   17.934  1103.14   14.059  379.847   3.1667  384.648   2.4515 -4.801178 4.004717 
1 1 1    2    3    9 o  211.174   1.5554  332.465   4.8973  334.543   7.7192  331.065   6.3357  211.824   2.4441  210.725   2.0165 1.099045 3.168642 
1 1 1    2    3   10 o  259.795   1.7556  503.198   6.8003  507.415   10.140  499.752   9.1673  260.867   2.6071  258.894   2.3749 1.973022 3.526636 
1 1 1    2    3   11 o  343.089   1.9069  877.641   9.7544  883.049   16.889  874.934   11.949  344.096   3.2920  342.547   2.3396 1.548584 4.038626 
1 1 1    2    3   12 o  309.355   2.1018  713.622   9.6945  691.124   25.355  717.474   10.492  304.200   5.5903  310.182   2.2686 -5.982635 6.033045 
1 1 1    2    3   13 o  172.913   1.9179  222.962   4.9444  215.988   8.3089  226.786   6.1522  170.135   3.2755  174.375   2.3663 -4.239594 4.040879 
1 1 1    2    3   14 o  132.173   2.4269  130.324   4.7827  122.654   7.1276  136.606   6.4504  128.165   3.7300  135.287   3.1979 -7.122147 4.913143 
1 1 1    2    3   15 f   27.848   7.1360   6.0458   2.9764   12.239   5.2362   3.0895   3.6177   39.506   9.0798   22.555   8.2488 16.95102 12.26727 
1 1 1    2    3   16 o  149.922   2.4195  167.738   5.4083  172.465   14.935  167.025   5.8021  151.501   6.6120  149.591   2.6014 1.910645 7.105297 
1 1 1    2    3   17 f   40.727   6.2051   12.743   3.6488   9.5636   6.9858   13.936   4.2789   35.730   11.524   42.476   7.0003 -6.746208 13.48362 
1 1 1    2    3   18 o  134.169   2.5637  134.430   5.1285  143.111   10.458  131.681   5.8847  138.084   5.0796  132.751   2.9732 5.333725 5.885712 
1 1 1    2    3   19 o  120.614   2.6738  108.757   4.8083  109.700   10.194  108.487   5.4530  120.546   5.6718  120.415   3.0373 0.1307144 6.433845 
1 1 1    2    3   20 o   40.524   6.0134   12.779   3.5231   6.2742   7.3692   14.706   4.0111   30.954   11.686   43.421   6.3866 -12.46692 13.31777 
1 1 1    2    3   21 o   25.385   9.9444   3.7694   5.4754   5.2416   6.7926   1.0381   9.2522   28.574   11.109   27.610   12.017 0.9640656 16.36458 
1 1 1    2    3   22 o   16.736   7.3041  -0.1856   3.4393   6.0500   8.2021  -1.5158   3.7884   29.736   11.997   16.158   7.3160 13.57763 14.05182 
1 1 1    2    4    0 o  488.086   4.0504  1776.57   29.471  1776.57   29.471  1776.57   29.471  488.086   4.0504  488.086   4.0504 0.000000 0.000000 
1 1 1    2    4    1 o  853.488   4.1184  5432.12   52.408  5455.18   83.129  5416.92   67.515  855.097   6.5203  852.205   5.3135 2.892883 8.411198 
1 1 1    2    4    2 o  228.235   1.4833  388.350   5.0475  387.517   7.1182  389.193   7.1585  227.985   2.0941  228.477   2.1014 -0.4921875 2.966669 
1 1 1    2    4    3 o  137.831   1.3106  141.630   2.6933  141.046   4.1484  142.055   3.5411  137.542   2.0229  138.035   1.7206 -0.4932251 2.655669 
1 1 1    2    4    4 o  312.730   1.6856  729.177   7.8596  721.897   11.948  734.731   10.435  311.139   2.5755  313.904   2.2297 -2.764923 3.406591 
1 1 1    2    4    5 o  126.257   1.6589  118.854   3.1229  116.870   4.4028  120.862   4.4302  125.189   2.3588  127.310   2.3340 -2.120552 3.318331 
1 1 1    2    4    6 o  136.423   1.6261  138.759   3.3076  134.885   5.0421  141.685   4.3823  134.496   2.5144  137.849   2.1322 -3.353256 3.296713 
1 1 1    2    4    7 o  330.138   2.0239  812.607   9.9620  824.112   17.559  807.145   12.097  332.429   3.5426  329.018   2.4661 3.410767 4.316423 
1 1 1    2    4    8 o  301.300   1.8881  676.823   8.4818  675.560   13.076  677.740   11.144  301.000   2.9137  301.494   2.4791 -0.4937744 3.825692 
1 1 1    2    4    9 o  349.350   1.9170  909.917   9.9853  887.994   16.049  923.763   12.755  345.089   3.1192  351.988   2.4303 -6.898651 3.954258 
1 1 1    2    4   10 o  521.822   2.3923  2030.30   18.613  2056.87   30.728  2014.90   23.392  525.148   3.9245  519.812   3.0183 5.335876 4.950924 
1 1 1    2    4   11 o  389.892   1.9765  1133.45   11.490  1141.54   19.987  1129.46   14.041  391.216   3.4266  389.189   2.4198 2.026550 4.194868 
1 1 1    2    4   12 o  340.190   2.1730  863.002   11.022  845.773   29.046  865.899   11.913  336.473   5.7898  340.752   2.3448 -4.278992 6.246534 
1 1 1    2    4   13 o  145.394   2.1626  157.658   4.6881  134.288   8.8464  166.785   5.5282  134.094   4.4247  149.533   2.4796 -15.43849 5.072125 
1 1 1    2    4   14 o   71.880   3.4820   38.574   3.7317   40.522   5.6134   37.031   4.9954   73.429   5.1600   70.219   4.8002 3.210480 7.047480 
1 1 1    2    4   15 o  168.047   2.0476  210.659   5.1304  214.738   9.0104  208.701   6.2409  169.557   3.5641  167.238   2.5029 2.318848 4.355185 
1 1 1    2    4   16 o   92.503   3.0910   63.904   4.2632   71.231   12.352   62.913   4.5423   96.705   8.6586   91.771   3.3197 4.934425 9.273160 
1 1 1    2    4   17 o   45.175   5.3763   15.520   3.5501   11.274   7.0222   16.978   4.1147   38.121   11.441   47.174   5.9847 -9.053108 12.91173 
1 1 1    2    4   18 o  100.921   2.9832   76.114   4.4889   64.789   8.6074   80.344   5.2609   92.518   6.2770  103.649   3.4043 -11.13089 7.140719 
1 1 1    2    4   19 o  126.254   2.6342  119.171   4.9586  120.713   10.399  118.717   5.6412  126.457   5.5156  125.959   3.0038 0.4981384 6.280525 
1 1 1    2    4   20 o   44.543   5.4535   15.300   3.5461   19.395   7.3507   14.058   4.0484   48.422   10.485   42.335   6.6315 6.087914 12.40635 
1 1 1    2    4   21 o   84.862   4.0251   54.588   5.0929   61.152   8.1644   50.407   6.5160   88.621   6.2183   80.835   5.4381 7.786797 8.260786 
1 1 1    2    4   22 o   18.884   7.4967   1.8632   3.1499  -4.2423   6.0119   4.1733   3.6981   18.607   8.7032   23.467   8.3720 -4.859741 12.07629 
1 1 1    2    5    0 o  784.710   6.0718  4593.08   71.029  4593.08   71.029  4593.08   71.029  784.710   6.0718  784.710   6.0718 0.000000 0.000000 
1 1 1    2    5    1 o  475.350   2.2863  1684.69   16.203  1709.85   23.240  1660.88   22.604  478.859   3.2551  471.953   3.2122 6.905365 4.573176 
1 1 1    2    5    2 o  153.838   1.5204  176.438   3.4873  177.889   5.5368  175.484   4.4897  154.462   2.4042  153.418   1.9628 1.043411 3.103642 
1 1 1    2    5    3 o  165.226   1.8282  203.542   4.5038  203.265   6.3240  203.826   6.4157  165.104   2.5690  165.331   2.6027 -0.2270355 3.657004 
1 1 1    2    5    4 o  338.257   1.8938  853.132   9.5508  850.829   13.561  855.400   13.454  337.768   2.6927  338.675   2.6644 -0.9074707 3.788075 
1 1 1    2    5    5 o  386.423   2.1000  1113.43   12.099  1103.31   17.016  1123.78   17.207  384.620   2.9673  388.172   2.9731 -3.552460 4.200486 
1 1 1    2    5    6 o  432.993   2.1260  1397.87   13.725  1399.59   21.081  1396.61   18.083  433.213   3.2637  432.772   2.8025 0.4406433 4.301818 
1 1 1    2    5    7 o  349.857   2.0872  912.579   10.888  913.594   19.029  912.085   13.275  350.010   3.6463  349.752   2.5457 0.2575989 4.447066 
1 1 1    2    5    8 o  612.696   3.2857  2799.27   30.015  2790.39   47.517  2805.17   38.718  611.601   5.2109  613.288   4.2342 -1.687073 6.714310 
1 1 1    2    5    9 o  496.380   2.4397  1837.16   18.056  1833.12   27.605  1840.19   23.871  495.774   3.7345  496.755   3.2229 -0.9811401 4.932950 
1 1 1    2    5   10 o  351.967   2.1312  923.652   11.184  934.920   17.220  915.432   14.708  354.073   3.2620  350.378   2.8154 3.694336 4.308939 
1 1 1    2    5   11 o  381.057   1.9605  1082.67   11.138  1078.73   19.175  1084.68   13.684  380.296   3.3818  381.392   2.4064 -1.095886 4.150576 
1 1 1    2    5   12 o  294.430   2.1055  646.453   9.2427  611.744   24.074  652.454   10.010  286.149   5.6426  295.786   2.2698 -9.637390 6.082024 
1 1 1    2    5   13 o  174.290   1.9146  226.536   4.9752  230.240   8.7303  224.755   6.0546  175.645   3.3337  173.588   2.3394 2.056870 4.072588 
1 1 1    2    5   14 o  209.237   2.0132  326.543   6.2806  343.377   10.386  316.839   7.8857  214.474   3.2480  206.072   2.5666 8.402847 4.139652 
1 1 1    2    5   15 o  170.859   2.0201  217.769   5.1462  215.678   9.1461  218.738   6.2250  169.916   3.6102  171.213   2.4386 -1.296783 4.356626 
1 1 1    2    5   16 o  200.057   2.1577  298.632   6.4361  316.349   13.678  293.593   7.2941  205.604   4.4618  198.335   2.4666 7.269623 5.098210 
1 1 1    2    5   17 o  125.355   2.4417  117.301   4.5636  127.590   8.3012  112.844   5.4633  130.561   4.2644  122.911   2.9812 7.650032 5.203145 
1 1 1    2    5   18 o   70.746   3.9500   37.596   4.1499   31.703   8.3992   39.499   4.7732   63.865   9.0760   72.449   4.4402 -8.583809 10.10392 
1 1 1    2    5   19 o   55.506   4.7672   23.363   3.9070   14.825   8.2018   25.870   4.4435   42.616   12.254   58.347   5.1611 -15.73036 13.29631 
1 1 1    2    5   20 o   31.326   7.7018   7.9177   3.5719   7.8593   6.8757   7.9392   4.1803   32.300   11.427   31.291   8.6642 1.009342 14.34044 
1 1 1    2    5   21 o   30.810   8.2813   7.8667   3.8860   25.852   7.3417   0.8671   4.5801   55.881   9.1270   20.494   8.6760 35.38628 12.59263 
1 1 1    2    6    0 o   98.543   2.2372   72.509   3.2832   72.509   3.2832   72.509   3.2832   98.543   2.2372   98.543   2.2372 0.000000 0.000000 
1 1 1    2    6    1 o  278.419   1.6488  577.932   6.8446  592.439   9.8498  564.386   9.5182  281.879   2.3437  275.125   2.3203 6.754089 3.297996 
1 1 1    2    6    2 o  183.285   1.5948  250.460   4.3582  255.069   6.8937  247.391   5.6249  184.951   2.4999  182.153   2.0711 2.797897 3.246413 
1 1 1    2    6    3 o  356.328   2.1201  946.758   11.263  946.629   17.876  946.842   14.505  356.243   3.3656  356.318   2.7302 -0.7455444E-01 4.333752 
1 1 1    2    6    4 o  137.170   1.5661  140.287   3.2030  138.411   4.4899  142.231   4.5706  136.240   2.2104  138.108   2.2197 -1.867508 3.132512 
1 1 1    2    6    5 o   98.381   1.8062   72.165   2.6495   73.234   3.7425   71.091   3.7513   99.101   2.5329   97.640   2.5768 1.461128 3.613276 
1 1 1    2    6    6 o  479.168   2.2713  1711.92   16.227  1729.65   25.095  1699.18   21.272  481.592   3.4949  477.354   2.9888 4.237946 4.598600 
1 1 1    2    6    7 o  300.051   1.8345  671.222   8.2068  654.795   12.391  684.062   10.954  296.339   2.8043  302.897   2.4256 -6.557861 3.707793 
1 1 1    2    6    8 o  332.931   1.9613  826.399   9.7358  822.449   14.914  829.333   12.852  332.112   3.0119  333.509   2.5846 -1.396942 3.968814 
1 1 1    2    6    9 o  353.462   2.2384  931.506   11.797  899.016   16.375  966.564   17.009  347.218   3.1630  360.026   3.1687 -12.80765 4.477189 
1 1 1    2    6   10 o  269.517   2.0128  541.593   8.0881  558.410   12.627  529.891   10.533  273.642   3.0948  266.575   2.6500 7.067444 4.074360 
1 1 1    2    6   11 o  348.792   2.0076  907.115   10.441  927.467   17.391  895.648   13.055  352.621   3.3079  346.560   2.5265 6.061432 4.162398 
1 1 1    2    6   12 o  121.551   2.2460  110.184   4.0703   98.721   6.4500  117.770   5.2471  115.015   3.7613  125.652   2.8008 -10.63708 4.689504 
1 1 1    2    6   13 o  290.311   1.9987  628.564   8.6513  611.442   13.940  639.289   11.033  286.230   3.2665  292.741   2.5278 -6.511017 4.130353 
1 1 1    2    6   14 o   23.890   7.2621   4.3023   2.8160   2.2945   4.2542   5.8681   3.7569   22.464   8.7751   27.812   8.3733 -5.347961 12.12906 
1 1 1    2    6   15 o  361.224   2.1721  973.500   11.698  999.172   19.710  959.537   14.536  365.702   3.6149  358.544   2.7191 7.157349 4.523338 
1 1 1    2    6   16 o   95.501   2.7213   68.093   3.8749   74.304   7.1304   65.491   4.6159   99.606   4.8013   93.625   3.3067 5.980148 5.829831 
1 1 1    2    6   17 o  266.044   2.2167  528.250   8.7929  547.148   14.981  518.318   10.860  270.484   3.7148  263.448   2.7649 7.036011 4.630798 
1 1 1    2    6   18 o   50.957   4.8824   19.675   3.6640   29.720   6.6776   15.348   4.3827   62.214   7.3402   44.566   6.8122 17.64836 10.01419 
1 1 1    2    6   19 o  129.987   2.7484  126.415   5.3266  172.886   15.897  120.537   5.6534  150.501   7.0843  126.888   2.9883 23.61337 7.688786 
1 1 1    2    6   20 o  136.866   2.5540  140.355   5.2118  141.726   10.724  139.931   5.9634  136.415   5.2726  136.551   2.9291 -0.1361237 6.031561 
1 1 1    2    6   21 o   32.284   7.5903   8.5829   3.5921   7.3193   6.4632   9.1477   4.3208   30.531   11.047   33.025   8.6663 -2.493778 14.04048 
1 1 1    2    7    0 o  422.661   3.6754  1332.44   23.157  1332.44   23.157  1332.44   23.157  422.661   3.6754  422.661   3.6754 0.000000 0.000000 
1 1 1    2    7    1 o  383.996   2.1903  1099.48   12.540  1087.12   19.575  1108.08   16.331  381.770   3.4391  385.466   2.8416 -3.696777 4.461118 
1 1 1    2    7    2 o  129.344   1.5725  124.736   3.0326  125.434   4.0106  123.804   4.6341  129.699   2.0739  128.849   2.4122 0.8503571 3.181190 
1 1 1    2    7    3 o  107.898   1.7833   86.805   2.8688   81.392   4.4636   90.615   3.7447  104.465   2.8658  110.234   2.2784 -5.769287 3.661109 
1 1 1    2    7    4 o  109.508   1.6803   89.412   2.7436   86.399   3.8485   92.526   3.9122  107.640   2.3980  111.391   2.3556 -3.751785 3.361449 
1 1 1    2    7    5 o  281.026   2.0044  588.835   8.3986  598.093   10.948  575.597   13.092  283.213   2.5928  277.819   3.1606 5.393250 4.088024 
1 1 1    2    7    6 o  356.250   2.0629  946.238   10.957  929.276   18.732  955.061   13.510  353.002   3.5591  357.896   2.5318 -4.894623 4.367732 
1 1 1    2    7    7 o  482.167   2.3295  1733.38   16.746  1698.25   25.177  1761.26   22.427  477.213   3.5385  486.003   3.0951 -8.790222 4.701060 
1 1 1    2    7    8 o  398.703   2.2992  1185.22   13.668  1183.10   19.407  1187.31   19.253  398.318   3.2677  399.027   3.2361 -0.7092896 4.598944 
1 1 1    2    7    9 o  463.282   2.5452  1600.35   17.581  1610.68   25.093  1590.40   24.640  464.728   3.6214  461.795   3.5786 2.933533 5.091283 
1 1 1    2    7   10 o  372.956   2.1672  1037.14   12.051  1062.16   18.781  1019.62   15.713  377.380   3.3378  369.767   2.8500 7.612823 4.389069 
1 1 1    2    7   11 o  236.404   2.0228  416.728   7.1298  423.920   13.402  413.889   8.4204  238.366   3.7709  235.586   2.3972 2.779800 4.468342 
1 1 1    2    7   12 o   96.975   2.6035   70.146   3.7643   67.649   6.2084   71.599   4.7338   95.184   4.3747   97.959   3.2411 -2.774559 5.444483 
1 1 1    2    7   13 o  209.763   2.1005  328.183   6.5694  339.686   10.231  320.114   8.5692  213.336   3.2165  207.130   2.7748 6.205994 4.247992 
1 1 1    2    7   14 o  207.774   2.0185  322.013   6.2529  305.304   10.089  332.432   7.9675  202.209   3.3465  211.073   2.5317 -8.864273 4.196274 
1 1 1    2    7   15 o   41.486   5.1731   13.088   3.1303   8.6635   6.0412   14.712   3.6599   33.929   10.693   43.934   5.7232 -10.00510 12.12827 
1 1 1    2    7   16 o   99.461   2.7420   73.863   4.0662   74.840   7.3833   73.438   4.8715   99.939   4.9550   99.140   3.2957 0.7998047 5.950918 
1 1 1    2    7   17 o  151.760   2.8526  172.034   6.4546  182.781   11.623  167.241   7.7614  156.110   4.9935  149.559   3.4806 6.551193 6.086849 
1 1 1    2    7   18 o  152.933   2.3428  174.679   5.3421  191.773   9.7550  167.357   6.3846  159.942   4.0907  149.626   2.8619 10.31546 4.992387 
1 1 1    2    7   19 o   70.353   3.8512   37.292   4.0243   43.577   8.3997   35.420   4.5848   74.978   7.6197   68.421   4.5197 6.556610 8.859302 
1 1 1    2    7   20 o   17.373   7.5188  -0.1757   3.5819  -5.1184   6.7924   1.7283   4.2157   20.038   9.3319   21.052   8.5624 -1.013063 12.66490 
1 1 1    2    7   21 o   54.237   4.9432   22.758   3.9535   27.414   8.0130   21.259   4.5453   56.824   9.8125   51.977   5.9738 4.847145 11.48786 
1 1 1    2    8    0 o  451.642   3.9718  1521.66   26.741  1521.66   26.741  1521.66   26.741  451.642   3.9718  451.642   3.9718 0.000000 0.000000 
1 1 1    2    8    1 o  250.573   2.0079  468.174   7.5014  460.037   10.941  475.393   10.305  248.352   2.9547  252.472   2.7375 -4.119827 4.027940 
1 1 1    2    8    2 o  592.037   2.7770  2614.14   24.513  2625.00   34.785  2603.43   34.550  593.134   3.9334  590.693   3.9229 2.440613 5.555289 
1 1 1    2    8    3 o  168.589   1.5619  211.909   3.9261  208.556   5.5008  215.390   5.6052  167.239   2.2061  169.957   2.2120 -2.717941 3.124045 
1 1 1    2    8    4 o  371.161   2.0444  1027.15   11.313  1007.52   15.769  1047.98   16.240  367.566   2.8774  374.874   2.9056 -7.307281 4.089267 
1 1 1    2    8    5 o   86.340   2.2317   55.582   2.8729   53.539   3.7193   58.603   4.5234   84.734   2.9439   88.647   3.4224 -3.912354 4.514385 
1 1 1    2    8    6 o  330.170   1.8717  812.748   9.2139  800.394   13.975  822.248   12.255  327.631   2.8609  332.083   2.4750 -4.451843 3.782909 
1 1 1    2    8    7 o  363.997   2.6927  987.909   14.614  960.965   20.193  1017.54   21.176  358.967   3.7729  369.380   3.8451 -10.41309 5.386953 
1 1 1    2    8    8 o  437.472   2.6541  1427.03   17.312  1422.66   22.388  1433.52   27.302  436.770   3.4379  438.397   4.1769 -1.626221 5.409799 
1 1 1    2    8    9 o  653.559   3.1931  3185.34   31.115  3142.12   43.429  3230.93   44.600  649.003   4.4881  658.105   4.5454 -9.102539 6.387771 
1 1 1    2    8   10 o  491.014   2.9269  1798.04   21.427  1834.95   28.247  1748.01   32.884  495.961   3.8200  484.001   4.5569 11.96036 5.946227 
1 1 1    2    8   11 o   48.377   5.1097   17.671   3.6298   21.362   6.6862   16.128   4.3222   52.694   8.8221   46.001   6.4814 6.693005 10.94707 
1 1 1    2    8   12 o  153.818   2.3848  176.475   5.4693  177.426   9.5795  176.015   6.6618  154.148   4.1680  153.598   2.9090 0.5510101 5.082770 
1 1 1    2    8   13 o  119.078   2.4863  105.788   4.4142  104.897   6.7263  106.462   5.8503  118.516   3.8065  119.423   3.2856 -0.9074326 5.028391 
1 1 1    2    8   14 o  175.994   2.4134  231.113   6.3328  243.516   9.1382  219.652   8.7841  180.577   3.3941  171.497   3.4353 9.079681 4.829237 
1 1 1    2    8   15 o  101.111   3.1168   76.353   4.6986   74.918   8.1099   77.079   5.7648   99.820   5.4699  101.545   3.8076 -1.724503 6.664683 
1 1 1    2    8   16 o   15.160   6.9103  -2.2017   3.4516   3.7266   5.8680  -5.3379   4.2680   26.893   10.361   14.869   7.0683 12.02417 12.54258 
1 1 1    2    8   17 o  153.192   2.8156  175.310   6.4310  187.025   9.8635  166.648   8.4816  158.031   4.1862  149.232   3.8119 8.799561 5.661716 
1 1 1    2    8   18 o   26.361   8.2281   5.2853   3.5866   5.4090   6.2199   5.2237   4.3899   29.230   10.796   26.955   9.1516 2.275007 14.15286 
1 1 1    2    8   19 o   19.528   7.9489   1.2964   3.6368   1.7314   6.1437   1.0617   4.5123   24.592   10.203   20.996   8.7307 3.596050 13.42888 
1 1 1    2    8   20 o   73.933   3.7694   41.382   4.1413   38.419   7.8447   42.527   4.8762   69.572   7.6912   74.747   4.3947 -5.175095 8.858202 
1 1 1    2    8   21 o   17.292   7.4626   0.1025   3.5087  -1.0533   6.4745   0.5831   4.1749   21.767   9.7333   19.239   8.2184 2.528116 12.73884 
1 1 1    2    9    0 o  283.583   2.4672  599.745   10.430  599.745   10.430  599.745   10.430  283.583   2.4672  283.583   2.4672 0.000000 0.000000 
1 1 1    2    9    1 o  201.202   1.5828  301.830   4.7481  291.559   6.5287  313.362   6.9177  197.736   2.2145  204.996   2.2633 -7.259247 3.166466 
1 1 1    2    9    2 o  279.294   1.7495  581.606   7.2854  584.539   10.288  578.657   10.318  279.977   2.4647  278.564   2.4842 1.412811 3.499404 
1 1 1    2    9    3 o  374.747   2.2396  1047.14   12.514  1037.19   19.625  1053.95   16.244  372.908   3.5297  375.940   2.8981 -3.032135 4.567027 
1 1 1    2    9    4 o  180.028   2.0585  241.645   5.5254  235.186   7.7375  248.366   7.8929  177.593   2.9222  182.502   2.9007 -4.908813 4.117397 
1 1 1    2    9    5 o  208.946   2.4862  325.524   7.7454  336.285   13.210  319.887   9.5612  212.338   4.1727  207.119   3.0962 5.219284 5.195930 
1 1 1    2    9    6 o  451.368   2.6129  1519.08   17.584  1534.02   23.065  1498.34   27.172  453.555   3.4107  448.220   4.0659 5.334900 5.307054 
1 1 1    2    9    7 o  374.409   2.6758  1045.24   14.937   0.0000   0.0000  1045.24   14.937  ?   ?   374.409   2.6758 0.000000 2.675802 
1 1 1    2    9    8 f  393.771   2.3182  1156.11   13.610  1202.38   19.906  1115.49   18.651  401.539   3.3249  386.762   3.2343 14.77768 4.638503 
1 1 1    2    9    9 o  348.715   2.2582  906.701   11.741  911.856   16.721  901.689   16.489  349.670   3.2072  347.717   3.1806 1.953674 4.516931 
1 1 1    2    9   10 o  298.776   2.1972  665.645   9.7877  672.435   14.073  659.284   13.622  300.256   3.1436  297.309   3.0729 2.947113 4.396032 
1 1 1    2    9   11 o  278.994   1.9084  580.429   7.9384  583.250   13.063  578.777   9.9957  279.606   3.1336  278.574   2.4066 1.032043 3.951053 
1 1 1    2    9   12 o   61.144   3.4959   27.997   3.1738   30.028   5.3412   26.889   3.9460   63.101   5.7399   59.831   4.4553 3.269466 7.266148 
1 1 1    2    9   13 o  184.081   2.1240  252.766   5.8294  253.574   8.9672  252.174   7.6717  184.300   3.2633  183.825   2.7991 0.4749146 4.299314 
1 1 1    2    9   14 f   89.592   2.9743   59.925   3.9730   65.514   6.0944   55.794   5.2394   93.598   4.3671   86.395   4.0675 7.203827 5.967928 
1 1 1    2    9   15 o  113.238   2.5423   95.717   4.2924  104.711   7.2211   90.802   5.3377  118.318   4.0934  110.248   3.2472 8.069771 5.224950 
1 1 1    2    9   16 o  166.249   2.1819  206.268   5.4084  228.961   9.9860  196.849   6.4337  174.958   3.8281  162.367   2.6576 12.59175 4.660195 
1 1 1    2    9   18 o   55.205   4.5211   23.057   3.6886   21.528   6.3988   23.817   4.5141   52.369   8.4853   55.925   5.4844 -3.555397 10.10342 
1 1 1    2    9   19 o  145.587   2.5088  158.655   5.4458  163.382   11.301  157.226   6.2150  146.777   5.1639  144.837   2.8780 1.940186 5.911771 
1 1 1    2    9   20 o   26.487   8.2334   5.6232   3.5954   5.7121   6.0028   5.5736   4.4898   28.378   10.581   26.922   9.2533 1.456703 14.05634 
1 1 1    2    9   21 o   21.154   7.9967   2.9435   3.4532  -2.7564   6.3065   5.3843   4.1269   20.145   9.2421   25.915   8.8728 -5.769678 12.81189 
1 1 1    2   10    0 o  266.462   2.4575  529.510   9.7615  529.510   9.7615  529.510   9.7615  266.462   2.4575  266.462   2.4575 0.000000 0.000000 
1 1 1    2   10    1 o   80.080   2.0315   47.815   2.4256   48.028   3.0372   47.438   4.0302   80.255   2.5382   79.752   3.3893 0.5028229 4.234406 
1 1 1    2   10    2 o  388.539   2.3133  1125.62   13.401  1149.87   21.733  1110.74   17.023  392.643   3.7123  385.939   2.9583 6.704895 4.746865 
1 1 1    2   10    3 o  359.539   2.0108  963.803   10.779  957.503   15.130  970.298   15.362  358.340   2.8318  360.725   2.8562 -2.385315 4.022097 
1 1 1    2   10    4 o  373.329   2.5350  1039.21   14.111  1026.88   19.502  1052.76   20.442  371.075   3.5249  375.717   3.6491 -4.641724 5.073555 
1 1 1    2   10    5 o  339.473   2.0360  859.210   10.305  878.111   14.800  841.421   14.358  343.167   2.8925  335.922   2.8667 7.245056 4.072412 
1 1 1    2   10    6 o  643.629   3.0757  3089.03   29.515  3142.87   42.603  3039.34   40.928  649.127   4.4019  638.354   4.3002 10.77325 6.153790 
1 1 1    2   10    7 o  524.082   3.2695  2048.24   25.548  2096.25   37.337  2005.96   35.033  530.096   4.7241  518.567   4.5310 11.52844 6.545745 
1 1 1    2   10    8 o  344.457   2.0359  884.647   10.456  891.711   16.238  879.643   13.666  345.795   3.1494  343.464   2.6686 2.331543 4.127998 
1 1 1    2   10    9 o  322.328   2.4133  774.726   11.598  794.931   15.228  746.813   17.898  326.475   3.1283  316.408   3.7940 10.06738 4.917399 
1 1 1    2   10   10 o   71.403   3.7026   38.142   3.9282   27.789   6.1719   45.192   5.0930   60.568   6.9610   77.687   4.4152 -17.11893 8.243196 
1 1 1    2   10   11 o   55.727   3.7583   23.284   3.1044   21.959   4.8768   24.187   4.0254   53.833   6.1886   56.702   4.8067 -2.868900 7.836021 
1 1 1    2   10   12 o  148.967   2.3382  165.538   5.1933  163.992   7.4487  167.001   7.2444  148.219   3.3706  149.580   3.2483 -1.360336 4.681067 
1 1 1    2   10   13 o  280.870   2.1151  588.482   8.8574  583.114   13.579  592.457   11.685  279.462   3.2590  281.750   2.7817 -2.288849 4.284724 
1 1 1    2   10   14 o  180.606   2.4202  243.421   6.5170  245.569   9.3122  241.359   9.1235  181.304   3.4449  179.748   3.4043 1.556168 4.843170 
1 1 1    2   10   15 o  136.000   2.5102  138.070   5.0900  131.461   7.7181  143.157   6.7711  132.580   3.9045  138.417   3.2809 -5.837631 5.099967 
1 1 1    2   10   16 o   91.522   3.1694   62.596   4.3249   65.983   6.7524   60.240   5.6317   93.690   4.8505   89.700   4.2109 3.989868 6.423288 
1 1 1    2   10   17 o   62.746   4.6096   29.699   4.2822   31.754   6.8237   28.364   5.5000   64.360   7.2366   61.033   6.1267 3.326229 9.481865 
1 1 1    2   10   18 o   71.809   3.8901   38.819   4.1495   46.506   7.0221   34.694   5.1435   78.102   6.0781   67.624   5.1399 10.47820 7.960006 
1 1 1    2   10   19 f   90.681   3.3775   61.816   4.5665   62.047   8.7157   61.729   5.3613   89.602   6.5698   90.472   3.9745 -0.8702621 7.678513 
1 1 1    2   10   20 o   17.511   7.4935   0.2415   3.4819  -4.5482   5.3225   3.8249   4.6037   17.362   8.1425   24.262   9.2184 -6.899338 12.29956 
1 1 1    2   10   21 o   16.939   7.1727   0.5846   3.1317  -3.0504   5.1203   2.7572   3.9585   17.679   8.1883   21.475   8.4423 -3.795282 11.76099 
1 1 1    2   11    0 o  851.422   5.4043  5407.28   68.598  5407.28   68.598  5407.28   68.598  851.422   5.4043  851.422   5.4043 0.000000 0.000000 
1 1 1    2   11    1 o  364.522   2.0071  990.703   10.908  1000.73   15.662  981.258   15.202  366.337   2.8674  362.758   2.8107 3.579163 4.015248 
1 1 1    2   11    2 o  403.412   2.6422  1213.47   15.892  1231.29   31.753  1207.52   18.357  406.237   5.2425  402.407   3.0595 3.830444 6.069956 
1 1 1    2   11    3 o  225.882   1.8913  380.408   6.3694  382.430   8.1798  377.294   10.152  226.474   2.4224  224.938   3.0270 1.536331 3.876973 
1 1 1    2   11    4 f  465.099   2.3996  1612.88   16.640  1641.29   23.811  1585.76   23.263  469.141   3.4042  461.136   3.3834 8.004364 4.799598 
1 1 1    2   11    5 o  771.947   3.5501  4443.92   40.860  4441.95   57.797  4445.88   57.773  771.643   5.0237  771.985   5.0194 -0.3420410 7.101497 
1 1 1    2   11    6 o  179.055   1.9134  239.033   5.1082  244.378   7.3909  234.144   7.0681  181.036   2.7382  177.205   2.6752 3.830521 3.828088 
1 1 1    2   11    7 o  198.242   2.2183  293.022   6.5567  299.981   10.661  288.789   8.3153  200.557   3.5652  196.795   2.8340 3.762268 4.554307 
1 1 1    2   11    8 o   76.190   2.9988   43.290   3.4066   45.619   5.3633   41.715   4.4106   78.056   4.6291   74.675   3.9757 3.381058 6.102027 
1 1 1    2   11    9 o  331.696   2.4379  820.463   12.056  821.354   15.520  819.106   19.146  331.842   3.1369  331.342   3.8755 0.5002441 4.985916 
1 1 1    2   11   10 o  111.103   2.3785   92.060   3.9400   86.245   6.1080   96.203   5.1562  107.502   3.8108  113.560   3.0453 -6.058693 4.878107 
1 1 1    2   11   11 o  337.782   2.1097  850.955   10.625  861.671   16.619  843.547   13.818  339.794   3.2803  336.255   2.7561 3.538971 4.284464 
1 1 1    2   11   12 o  119.859   2.2363  107.168   3.9965   99.819   6.5334  111.561   5.0519  115.606   3.7904  122.270   2.7712 -6.663948 4.695389 
1 1 1    2   11   13 o   74.215   3.1180   41.124   3.4501   42.243   5.5815   40.431   4.3890   74.960   5.0231   73.440   4.0236 1.519249 6.435951 
1 1 1    2   11   14 o  134.466   2.6614  134.978   5.3357  131.932   9.3761  136.437   6.4889  132.743   4.7374  135.148   3.2203 -2.405182 5.728276 
1 1 1    2   11   15 o  173.963   2.1946  225.853   5.6921  236.357   9.4981  219.966   7.1105  177.801   3.5829  171.624   2.7788 6.177017 4.534136 
1 1 1    2   11   16 f   57.436   4.6619   24.892   3.9578   31.703   5.9733   19.563   5.2842   64.585   6.2827   50.391   7.2412 14.19392 9.586879 
1 1 1    2   11   17 o   46.107   5.5650   16.243   3.7482   16.801   6.1285   15.909   4.7376   46.028   9.2511   45.245   7.2691 0.7831688 11.76531 
1 1 1    2   11   18 o  147.722   2.4912  163.206   5.4869  164.315   11.532  162.881   6.2383  147.407   5.2470  147.504   2.8366 -0.9719849E-01 5.964664 
1 1 1    2   11   19 o   35.920   7.2724   10.365   3.7612   12.924   10.747   10.008   4.0152   39.566   14.255   35.110   7.8653 4.456230 16.28108 
1 1 1    2   11   20 o   85.872   2.9631   55.563   3.7938   64.513   6.9371   51.744   4.5315   91.448   5.1082   82.632   3.6781 8.816261 6.294651 
1 1 1    2   11   21 o   54.225   4.5046   22.835   3.6089   19.689   5.5127   25.195   4.7742   48.380   7.9162   56.276   5.7716 -7.895752 9.796767 
1 1 1    2   12    0 o  355.327   2.8720  941.522   15.213  941.522   15.213  941.522   15.213  355.327   2.8720  355.327   2.8720 0.000000 0.000000 
1 1 1    2   12    1 o  315.956   2.1212  744.301   9.9925  744.526   16.367  744.167   12.617  315.969   3.4742  315.915   2.6786 0.5383301E-01 4.386907 
1 1 1    2   12    2 o  260.891   1.8199  507.458   7.0791  497.381   9.7486  518.699   10.297  258.276   2.5316  263.752   2.6183 -5.475220 3.642046 
1 1 1    2   12    3 o  327.112   2.2049  797.797   10.754  807.648   13.773  782.412   17.212  329.112   2.8067  323.907   3.5640 5.204681 4.536497 
1 1 1    2   12    4 o  611.708   2.9373  2790.20   26.789  2841.03   38.520  2742.58   37.282  617.178   4.1860  606.395   4.1236 10.78271 5.875930 
1 1 1    2   12    5 o  184.744   1.9056  254.464   5.2491  255.264   7.5288  253.707   7.3222  185.024   2.7291  184.459   2.6624 0.5642548 3.812667 
1 1 1    2   12    6 o  388.576   2.2583  1125.80   13.083  1111.87   18.416  1140.00   18.591  386.132   3.1989  390.986   3.1891 -4.853821 4.516955 
1 1 1    2   12    7 o  407.629   2.5791  1239.02   15.675  1260.33   25.523  1226.12   19.862  411.038   4.1647  405.470   3.2855 5.567993 5.304595 
1 1 1    2   12    8 o  105.464   2.5957   82.945   4.0816   84.357   6.0945   81.797   5.4964  106.337   3.8440  104.717   3.5203 1.619835 5.212404 
1 1 1    2   12    9 o  269.766   2.6019  542.756   10.465  539.623   14.614  546.054   14.993  268.930   3.6447  270.523   3.7172 -1.592987 5.205876 
1 1 1    2   12   10 o  372.573   2.1618  1035.24   12.009  1058.26   18.899  1019.66   15.552  376.582   3.3660  369.704   2.8213 6.877502 4.392030 
1 1 1    2   12   11 o  259.623   2.0124  502.724   7.7897  520.123   12.318  491.130   10.056  263.989   3.1296  256.569   2.6287 7.420258 4.087107 
1 1 1    2   12   12 o  106.375   2.4843   84.431   3.9402   87.000   6.2830   82.767   5.0585  107.910   3.9051  105.289   3.2223 2.621063 5.062958 
1 1 1    2   12   13 o   96.702   2.7809   69.807   4.0096   81.448   6.3497   62.088   5.1708  104.372   4.0804   91.144   3.8051 13.22802 5.579243 
1 1 1    2   12   14 o  262.157   2.2002  512.869   8.5998  515.826   13.384  510.789   11.223  262.722   3.4167  261.530   2.8783 1.192383 4.467469 
1 1 1    2   12   15 o  120.747   2.5544  108.862   4.5986  116.202   7.7364  104.852   5.7186  124.589   4.1647  118.446   3.2382 6.143593 5.275466 
1 1 1    2   12   16 o  149.586   2.4416  167.096   5.4454  168.631   8.9627  166.197   6.8559  150.055   4.0061  149.108   3.0839 0.9476166 5.055573 
1 1 1    2   12   17 o  147.391   2.7177  162.424   5.9722  170.360   9.2644  156.781   7.8121  150.661   4.1242  144.644   3.6224 6.017914 5.489208 
1 1 1    2   12   18 o   72.483   3.5892   39.473   3.8789   42.677   7.4747   38.293   4.5377   74.331   6.8206   71.146   4.2979 3.185585 8.061779 
1 1 1    2   12   19 o   76.505   3.7635   44.224   4.2929   47.017   12.413   43.844   4.5752   74.245   11.593   75.993   4.0526 -1.747490 12.28065 
1 1 1    2   12   20 o   32.022   7.2702   8.4787   3.3918   3.7188   5.8016   10.950   4.1807   25.245   10.123   36.191   7.9640 -10.94545 12.88055 
1 1 1    2   13    0 o   63.101   6.1621   30.538   5.6704   30.538   5.6704   30.538   5.6704   63.101   6.1621   63.101   6.1621 0.000000 0.000000 
1 1 1    2   13    1 o   69.928   3.3938   36.465   3.5384   28.093   5.4494   42.569   4.6526   61.054   6.0667   75.433   4.1528 -14.37868 7.351964 
1 1 1    2   13    2 o  319.218   2.1944  759.757   10.444  772.348   13.483  740.868   16.514  321.837   2.8099  315.190   3.5142 6.647369 4.499433 
1 1 1    2   13    3 o  224.191   1.8531  374.731   6.1942  383.706   8.7013  365.510   8.8199  226.849   2.5726  221.403   2.6718 5.445740 3.709049 
1 1 1    2   13    4 o  198.257   2.0940  293.059   6.1898  294.803   7.7407  289.965   10.308  198.839   2.6110  197.184   3.5062 1.654831 4.371577 
1 1 1    2   13    5 o  607.031   3.2122  2747.95   29.073  2810.11   38.654  2666.98   44.116  613.782   4.2238  597.882   4.9489 15.90076 6.506310 
1 1 1    2   13    6 o  575.551   3.1414  2470.40   26.957  2480.87   43.050  2463.65   34.575  576.607   5.0075  574.696   4.0351 1.911255 6.430958 
1 1 1    2   13    7 o  562.199   2.8358  2357.11   23.770  2373.83   33.905  2340.96   33.335  564.083   4.0314  560.169   3.9912 3.914307 5.672921 
1 1 1    2   13    8 o   51.060   4.3157   19.596   3.2548   13.446   4.7995   24.832   4.4287   41.696   8.0113   57.432   5.2292 -15.73595 9.566889 
1 1 1    2   13    9 o  135.061   2.2934  136.045   4.6183  124.963   6.4731  147.534   6.5910  129.413   3.3548  140.623   3.1436 -11.20990 4.597437 
1 1 1    2   13   10 o  270.400   1.9900  545.297   8.0230  545.530   12.455  545.133   10.489  270.378   3.0897  270.319   2.6024 0.5911255E-01 4.039660 
1 1 1    2   13   11 o  101.299   3.1942   76.602   4.8244   73.825   10.293   77.384   5.4614   98.943   7.0230  101.796   3.5984 -2.852333 7.891222 
1 1 1    2   13   12 o   57.872   3.8150   25.134   3.2733   26.638   5.1945   24.144   4.2156   59.314   5.9541   56.570   5.0511 2.743973 7.808032 
1 1 1    2   13   13 o   31.707   7.5718   7.8791   3.5302   10.301   4.8273   5.0952   5.1757   36.185   8.9880   27.831   9.9070 8.354540 13.37657 
1 1 1    2   13   14 o   91.314   2.8651   62.278   3.9008   55.009   6.2063   67.024   5.0153   85.529   4.8871   94.682   3.5527 -9.152908 6.041963 
1 1 1    2   13   15 o  190.297   2.7095  270.475   7.6876   0.0000   0.0000  270.475   7.6876  ?   ?   190.297   2.7095 0.000000 2.709484 
1 1 1    2   13   16 f  219.834   2.2035  360.836   7.2222  356.618   11.886  363.304   9.0933  218.248   3.6528  220.485   2.7661 -2.237549 4.581962 
1 1 1    2   13   17 o  114.999   3.0619   99.015   5.2500  105.794   8.0875   94.078   6.9019  118.557   4.5753  111.898   4.1369 6.659340 6.168216 
1 1 1    2   13   18 o   51.324   4.8297   20.133   3.6524   29.749   6.6050   15.897   4.3835   61.610   7.3346   45.005   6.7402 16.60524 9.961197 
1 1 1    2   13   19 o   45.880   5.6275   16.448   3.7688   21.366   7.4311   14.744   4.3730   50.026   10.306   42.837   7.0951 7.188972 12.51201 
1 1 1    2   13   20 o   17.983   7.4677   1.0786   3.2947   3.1064   5.2103  -0.2724   4.2529   23.626   9.5514   18.336   8.0592 5.290031 12.49720 
1 1 1    2   14    0 f  495.835   3.5892  1833.42   26.531  1833.42   26.531  1833.42   26.531  495.835   3.5892  495.835   3.5892 0.000000 0.000000 
1 1 1    2   14    1 o  214.246   1.8337  342.223   5.8574  345.982   8.4088  338.679   8.1639  215.408   2.6182  213.123   2.5692 2.284485 3.668193 
1 1 1    2   14    2 o  400.881   2.2405  1198.22   13.392  1221.67   19.085  1175.49   18.796  404.751   3.1625  397.028   3.1752 7.723907 4.481405 
1 1 1    2   14    3 o  548.505   3.3269  2243.62   27.207  2238.19   38.909  2248.81   38.059  547.744   4.7643  549.052   4.6492 -1.307861 6.656877 
1 1 1    2   14    4 o  195.319   1.9771  284.438   5.7576  279.868   7.9563  289.461   8.3424  193.731   2.7545  197.022   2.8399 -3.290634 3.956304 
1 1 1    2   14    5 o  531.418   2.7053  2105.88   21.435  2148.37   30.879  2066.37   29.778  536.675   3.8590  526.338   3.7946 10.33734 5.412107 
1 1 1    2   14    6 o  308.163   2.3271  708.121   10.692  704.774   17.002  710.310   13.752  307.375   3.7099  308.614   2.9887 -1.238770 4.763997 
1 1 1    2   14    7 o  240.812   2.0216  432.411   7.2583  439.300   10.424  425.928   10.113  242.693   2.8807  238.972   2.8383 3.720642 4.044060 
1 1 1    2   14    8 o  235.416   2.0632  413.283   7.2417  414.005   10.365  412.595   10.122  235.582   2.9508  235.184   2.8867 0.3984985 4.127965 
1 1 1    2   14    9 o  249.365   2.1018  463.766   7.8144  451.536   10.999  476.231   11.104  246.001   2.9988  252.642   2.9479 -6.641052 4.205117 
1 1 1    2   14   10 o  159.154   2.0421  188.929   4.8457  190.497   7.5960  187.853   6.2924  159.753   3.1891  158.671   2.6598 1.081985 4.152677 
1 1 1    2   14   11 o  122.508   2.6816  112.006   4.8981  119.228   12.712  110.747   5.3080  125.844   6.8002  121.805   2.9228 4.039429 7.401750 
1 1 1    2   14   12 o  142.782   2.2200  152.116   4.7260  162.650   7.5573  145.351   6.0564  147.551   3.4352  139.526   2.9113 8.025375 4.502943 
1 1 1    2   14   13 o   97.818   3.3783   71.508   4.9271   74.905   7.5629   69.003   6.4944   99.829   5.0982   95.995   4.5376 3.834328 6.825002 
1 1 1    2   14   14 o   67.669   3.5737   34.339   3.5929   35.542   6.0277   33.676   4.4746   68.494   5.9618   66.892   4.5129 1.601936 7.477273 
1 1 1    2   14   15 o   72.773   4.6990   39.890   5.0714   37.613   12.615   40.329   5.5386   68.474   12.828   73.105   5.1136 -4.631538 13.80957 
1 1 1    2   14   16 o  154.909   2.7867  179.409   6.4363  167.431   11.118  185.446   7.8934  149.173   4.9990  157.390   3.3637 -8.217041 6.025287 
1 1 1    2   14   17 o   47.672   6.0487   17.536   4.2025   17.621   7.1426   17.491   5.1974   46.397   10.562   47.148   7.6562 -0.7503700 13.04514 
1 1 1    2   14   18 o   28.339   7.5092   6.4960   3.2237   1.9332   5.5679   8.7967   3.9538   23.562   9.7397   32.822   8.1232 -9.259668 12.68260 
1 1 1    2   14   19 o   78.504   3.7180   46.734   4.3518   48.358   7.2200   45.807   5.4538   78.463   6.2227   77.172   4.7632 1.291435 7.836482 
1 1 1    2   14   20 o   30.193   7.4763   7.7236   3.3479   6.5237   5.4099   8.4683   4.2620   27.976   10.109   31.117   8.7956 -3.141495 13.39984 
1 1 1    2   15    0 o  577.658   4.0244  2488.60   34.657  2488.60   34.657  2488.60   34.657  577.658   4.0244  577.658   4.0244 0.000000 0.000000 
1 1 1    2   15    1 o  342.177   2.1004  872.989   10.716  883.848   15.333  862.622   14.982  344.272   2.9872  340.114   2.9545 4.157776 4.201442 
1 1 1    2   15    2 o  194.741   1.9873  282.758   5.7701  282.134   7.8889  283.477   8.4614  194.514   2.7202  194.972   2.9107 -0.4585724 3.983911 
1 1 1    2   15    3 o  412.653   2.3366  1269.70   14.376  1288.38   20.329  1251.01   20.332  415.636   3.2804  409.563   3.3296 6.073425 4.674143 
1 1 1    2   15    4 o  196.821   2.0124  288.838   5.9053  295.319   8.2337  281.973   8.4743  199.002   2.7750  194.450   2.9230 4.551682 4.030467 
1 1 1    2   15    5 o  270.131   2.0312  544.096   8.1807  565.917   11.817  524.013   11.337  275.467   2.8772  265.073   2.8685 10.39429 4.062759 
1 1 1    2   15    6 o  145.056   2.1699  156.903   4.6930  163.380   6.7576  150.869   6.5224  148.000   3.0624  142.220   3.0759 5.779785 4.340474 
1 1 1    2   15    7 o  105.522   2.6357   83.052   4.1468   80.100   6.4178   85.168   5.4332  103.591   4.1552  106.840   3.4108 -3.248901 5.375801 
1 1 1    2   15    8 o  145.221   2.2092  157.288   4.7833  152.503   6.7315  162.167   6.7984  142.962   3.1581  147.424   3.0929 -4.462677 4.420331 
1 1 1    2   15    9 o  199.272   2.1074  296.182   6.2614  301.745   9.0253  291.020   8.6939  201.080   3.0104  197.478   2.9528 3.601852 4.216781 
1 1 1    2   15   10 o   27.246   6.8503   5.7884   2.7798   2.4392   4.5110   7.8389   3.5297   23.122   9.0351   31.668   7.5770 -8.545467 11.79171 
1 1 1    2   15   11 o  242.668   2.1626  439.355   7.8246  440.978   14.077  438.630   9.4128  242.898   3.8869  242.424   2.6042 0.4739685 4.678680 
1 1 1    2   15   12 o  136.302   2.2430  138.641   4.5583  138.083   7.0596  139.039   5.9695  135.929   3.4834  136.448   2.9343 -0.5188904 4.554549 
1 1 1    2   15   13 o  114.043   2.6924   97.124   4.5780  105.132   7.0043   91.152   6.0488  118.531   3.9634  110.398   3.6748 8.132545 5.404878 
1 1 1    2   15   14 o   32.455   6.9829   8.2532   3.2788   8.8109   5.2346   7.8931   4.2061   33.611   9.8258   31.708   8.6548 1.902267 13.09396 
1 1 1    2   15   15 o  215.025   2.5052  345.375   8.0315  354.733   20.999  343.771   8.6924  216.677   6.5001  214.487   2.7181 2.189499 7.045486 
1 1 1    2   15   16 o  120.748   2.8306  109.073   5.0960  110.839   7.9801  107.856   6.6221  121.420   4.4081  119.923   3.7036 1.496445 5.757406 
1 1 1    2   15   17 o   17.279   7.5596  -0.5993   3.7043  -0.9863   5.8534  -0.3407   4.7841   21.444   9.4391   19.952   8.6621 1.491480 12.81130 
1 1 1    2   15   18 o   54.455   4.4353   22.684   3.5698   14.167   5.9490   27.477   4.4624   40.895   9.8696   59.748   5.0568 -18.85310 11.08964 
1 1 1    2   15   19 o   15.199   6.7835  -0.8804   3.1287  -1.9015   5.0658  -0.2507   3.9781   18.547   8.4224   17.863   7.8241 0.6845913 11.49575 
1 1 1    2   16    0 o  195.096   2.8917  283.983   8.4072  283.983   8.4072  283.983   8.4072  195.096   2.8917  195.096   2.8917 0.000000 0.000000 
1 1 1    2   16    1 o  131.827   2.2771  129.581   4.4756  131.483   6.0810  127.334   6.6112  132.779   3.0717  130.662   3.3936 2.117126 4.577302 
1 1 1    2   16    2 f  479.475   2.5416  1714.33   18.169  1725.56   25.649  1703.02   25.742  480.978   3.5766  477.823   3.6133 3.154572 5.084127 
1 1 1    2   16    3 o  259.355   2.2994  501.575   8.8915  499.259   10.830  506.365   15.575  258.740   2.8072  260.525   4.0098 -1.784912 4.894762 
1 1 1    2   16    4 o  283.293   2.0531  598.424   8.6719  612.025   12.254  584.778   12.274  286.464   2.8691  280.012   2.9399 6.452148 4.107867 
1 1 1    2   16    5 o   59.378   4.1353   26.439   3.6382   30.060   6.0419   24.379   4.5570   63.083   6.5177   56.875   5.4402 6.208054 8.489773 
1 1 1    2   16    6 o  167.967   2.5048  210.423   6.2730  216.319   12.144  208.278   7.3261  170.198   4.7856  167.094   2.9407 3.104019 5.616845 
1 1 1    2   16    7 o  274.783   2.0823  563.109   8.5309  569.732   12.201  556.775   11.933  276.337   2.9613  273.179   2.9296 3.158173 4.165595 
1 1 1    2   16    8 o  170.865   2.3429  217.782   5.9686  212.089   7.6309  226.755   9.5794  168.581   3.0360  174.268   3.6868 -5.687729 4.775934 
1 1 1    2   16    9 o  182.468   2.2796  248.388   6.2017  250.664   8.3380  245.571   9.2780  183.248   3.0518  181.346   3.4315 1.902588 4.592185 
1 1 1    2   16   10 o  120.857   2.2949  108.984   4.1353  103.781   6.4748  112.569   5.3742  117.855   3.6848  122.794   2.9354 -4.939270 4.711048 
1 1 1    2   16   11 o   92.531   2.6782   63.918   3.6948   66.424   5.8242   62.231   4.7798   94.235   4.1453   91.255   3.5131 2.980072 5.433671 
1 1 1    2   16   12 o  176.055   2.2668  231.342   5.9503  223.476   10.365  235.208   7.2671  172.816   4.0227  177.471   2.7464 -4.654892 4.870781 
1 1 1    2   16   13 o  107.802   2.7034   86.802   4.3451   90.246   6.8423   84.474   5.6249  109.774   4.1805  106.273   3.5499 3.500664 5.484410 
1 1 1    2   16   14 o  138.071   2.5158  142.382   5.1790  136.037   7.7774  147.436   6.9421  134.788   3.8700  140.404   3.3162 -5.616028 5.096485 
1 1 1    2   16   15 o   17.176   7.5511  -0.8938   3.7355  -6.6836   7.2873   1.1699   4.3506   20.492   9.5840   20.970   8.6328 -0.4771786 12.89875 
1 1 1    2   16   16 o   97.472   3.1803   71.204   4.6219   72.733   7.1812   70.123   6.0389   98.156   4.9069   96.541   4.1954 1.615189 6.455949 
1 1 1    2   16   17 o   77.222   3.3714   44.860   3.8817   41.326   6.3092   47.012   4.9238   73.254   5.8248   78.747   4.2089 -5.493607 7.186307 
1 1 1    2   16   18 o   43.555   5.3052   14.805   3.3739   18.462   5.5457   12.657   4.2512   47.416   8.1375   39.359   7.5185 8.057281 11.07909 
1 1 1    2   16   19 o   62.793   3.8366   30.212   3.5747   30.317   5.9743   30.153   4.4615   61.298   6.6432   62.237   4.8461 -0.9389648 8.222985 
1 1 1    2   17    0 o  472.846   3.5831  1667.58   25.258  1667.58   25.258  1667.58   25.258  472.846   3.5831  472.846   3.5831 0.000000 0.000000 
1 1 1    2   17    1 o   90.213   2.8181   60.697   3.7905   67.623   5.0970   52.126   5.6698   95.209   3.5906   83.447   4.5745 11.76173 5.815375 
1 1 1    2   17    2 o  303.212   2.0674  685.547   9.3463  683.542   13.108  687.621   13.330  302.733   2.9042  303.633   2.9444 -0.9000244 4.135691 
1 1 1    2   17    3 o  148.684   2.2066  164.853   4.8916  166.658   6.5363  162.556   7.3751  149.478   2.9328  147.615   3.3509 1.862900 4.453093 
1 1 1    2   17    4 o  379.687   2.4511  1075.16   13.875  1076.28   21.216  1074.32   18.342  379.779   3.7468  379.480   3.2418 0.2985535 4.954589 
1 1 1    2   17    5 o  263.062   2.9102  516.245   11.414   0.0000   0.0000  516.245   11.414  ?   ?   263.062   2.9102 0.000000 2.910151 
1 1 1    2   17    6 o   93.124   2.9669   64.704   4.1194   68.014   6.7683   62.757   5.1917   95.412   4.7578   91.687   3.7978 3.724861 6.087647 
1 1 1    2   17    7 o   68.351   3.2274   34.870   3.2890   37.664   4.9031   32.585   4.4348   70.836   4.6687   65.878   4.5429 4.958199 6.514142 
1 1 1    2   17    8 o  105.043   3.2543   82.381   5.0968   81.685   5.4775   86.875   13.915  104.586   3.5127  107.019   8.7984 -2.432983 9.473660 
1 1 1    2   17    9 f   85.032   2.8227   53.973   3.5786   53.349   5.1209   54.569   5.0031   84.479   4.0656   85.447   3.9271 -0.9681015 5.652501 
1 1 1    2   17   10 o  155.772   2.2543  181.068   5.2357  174.740   7.4605  187.209   7.3496  152.943   3.2717  158.321   3.1135 -5.378220 4.516400 
1 1 1    2   17   11 o  135.591   2.2529  137.213   4.5546  135.062   7.1347  138.693   5.9171  134.409   3.5602  136.268   2.9124 -1.859207 4.599670 
1 1 1    2   17   12 o   96.812   2.7571   70.009   3.9797   66.376   6.2377   72.503   5.1684   94.120   4.4450   98.461   3.5206 -4.340820 5.670345 
1 1 1    2   17   13 o  102.553   2.8744   78.590   4.3951   79.815   7.0583   77.815   5.6170  103.160   4.5890  101.967   3.6947 1.192772 5.891489 
1 1 1    2   17   14 o   61.488   4.0916   28.467   3.7297   32.005   6.1186   26.376   4.7049   64.771   6.4204   58.951   5.4134 5.819859 8.398007 
1 1 1    2   17   15 o   91.136   3.1889   62.198   4.3332   55.639   7.0986   66.094   5.4707   85.623   5.5912   93.840   3.9100 -8.217697 6.822760 
1 1 1    2   17   16 o   64.047   4.1998   31.054   3.9883   31.252   7.5743   30.978   4.6914   62.911   8.2759   63.774   4.9732 -0.8627434 9.655198 
1 1 1    2   17   17 o  130.971   2.5105  128.665   4.9023  125.559   7.9829  130.545   6.2114  128.693   4.1604  131.687   3.1636 -2.993668 5.226593 
1 1 1    2   17   18 o   16.297   7.0091   0.1403   3.0737  -0.9685   4.9487   0.8366   3.9219   19.134   8.5360   19.002   8.0354 0.1317768 11.72310 
1 1 1    2   17   19 o   57.070   4.1923   25.222   3.5423   15.169   5.7870   31.246   4.4795   40.948   9.6387   63.202   4.7893 -22.25401 10.76297 
1 1 1    2   18    0 o  287.775   2.9629  617.735   12.710  617.735   12.710  617.735   12.710  287.775   2.9629  287.775   2.9629 0.000000 0.000000 
1 1 1    2   18    1 o  116.943   2.4163  101.992   4.2130  101.495   5.6166  102.631   6.3708  116.638   3.2297  117.277   3.6434 -0.6390076 4.868794 
1 1 1    2   18    2 o  380.577   2.7280  1080.36   15.479  1088.32   21.081  1071.05   22.802  381.886   3.7024  378.808   4.0373 3.077911 5.477928 
1 1 1    2   18    3 o  143.471   2.2951  153.517   4.9095  151.165   6.8974  155.932   6.9898  142.337   3.2501  144.564   3.2429 -2.227325 4.591258 
1 1 1    2   18    4 o  198.641   2.2832  294.298   6.7621  293.900   10.482  294.581   8.8499  198.440   3.5428  198.703   2.9872 -0.2630615 4.634114 
1 1 1    2   18    5 o  108.260   2.4535   87.429   3.9603   86.309   5.4901   88.645   5.7183  107.532   3.4243  108.974   3.5194 -1.441986 4.910453 
1 1 1    2   18    6 f   38.421   5.3780   11.257   2.9963   10.087   4.0979   12.601   4.3922   35.957   7.8629   40.324   7.5840 -4.367035 10.92433 
1 1 1    2   18    7 o  158.997   2.1285  188.583   5.0458  193.276   7.0803  183.741   7.1928  160.914   2.9511  156.886   3.0750 4.028137 4.262017 
1 1 1    2   18    8 o  201.025   2.3240  301.532   6.9656  297.036   8.7749  309.190   11.454  199.465   2.9506  203.410   3.7766 -3.944839 4.792523 
1 1 1    2   18    9 o   43.156   4.8493   14.121   3.0662   11.003   4.4188   17.016   4.2582   37.472   8.1419   47.205   6.2001 -9.733707 10.23391 
1 1 1    2   18   10 o   16.631   7.0308   0.1640   3.0012   2.8710   4.3335  -2.3310   4.1604   23.349   8.9265   16.906   7.6595 6.442898 11.76222 
1 1 1    2   18   11 o  100.590   2.6337   75.566   3.9499   70.210   6.1733   79.278   5.1398   96.820   4.2764  102.976   3.3476 -6.155861 5.430881 
1 1 1    2   18   12 o   67.795   3.5896   34.486   3.6154   34.160   5.5806   34.721   4.7462   67.159   5.6250   67.868   4.7197 -0.7089767 7.342755 
1 1 1    2   18   13 o  155.087   2.5828  179.687   5.9722  181.987   8.6827  177.622   8.2275  155.896   3.7355  154.042   3.5822 1.853363 5.175578 
1 1 1    2   18   14 o  143.593   2.3932  154.061   5.1236  151.848   8.5250  155.312   6.4106  142.266   4.0191  144.085   2.9841 -1.819336 5.005756 
1 1 1    2   18   15 o  133.959   2.5207  134.241   5.0345  137.773   8.3304  132.209   6.3191  135.318   4.1290  132.803   3.1913 2.514740 5.218513 
1 1 1    2   18   16 o   51.192   4.8991   20.084   3.6936   25.313   6.0807   17.027   4.6496   56.631   7.3767   46.455   6.9246 10.17640 10.11760 
1 1 1    2   18   17 o   27.501   7.6090   6.2215   3.2254   2.7627   5.4022   8.1375   4.0208   23.859   9.6972   31.190   8.4406 -7.331072 12.85609 
1 1 1    2   18   18 o   43.044   5.2640   14.621   3.3079   15.702   5.5468   14.024   4.1209   42.544   9.0242   41.342   6.9306 1.201221 11.37846 
1 1 1    2   19    0 o  298.137   2.9919  663.073   13.296  663.073   13.296  663.073   13.296  298.137   2.9919  298.137   2.9919 0.000000 0.000000 
1 1 1    2   19    1 o  193.973   2.3895  280.647   6.9107  264.907   11.251  290.183   8.7575  188.361   4.0061  197.211   2.9784 -8.849411 4.991948 
1 1 1    2   19    2 o  105.068   2.6966   82.356   4.2243   79.423   5.0801   88.930   7.6051  103.161   3.3028  109.100   4.6753 -5.939613 5.724247 
1 1 1    2   19    3 o  141.736   2.2178  149.842   4.6867  151.684   6.3484  147.634   6.9482  142.574   2.9865  140.642   3.3135 1.931946 4.460742 
1 1 1    2   19    4 o  157.130   2.4056  184.188   5.6357  181.073   8.5797  186.551   7.4743  155.722   3.6953  158.094   3.1709 -2.372131 4.869309 
1 1 1    2   19    5 o   72.857   3.0450   39.621   3.3077   37.624   4.5020   41.965   4.8759   70.824   4.2836   74.801   4.3912 -3.977379 6.134458 
1 1 1    2   19    6 o  128.188   2.4142  122.611   4.6141  123.387   6.0563  121.538   7.1235  128.552   3.1598  127.545   3.7459 1.007027 4.900643 
1 1 1    2   19    7 o   86.833   3.0161   56.300   3.9049   58.175   4.9035   53.048   6.4559   88.231   3.7275   84.001   5.1800 4.229614 6.381711 
1 1 1    2   19    8 o  288.293   2.1693  620.172   9.3244  624.544   13.188  615.802   13.186  289.174   3.0587  287.140   3.0799 2.034576 4.340678 
1 1 1    2   19    9 o   52.398   4.2147   20.681   3.2648   15.375   4.6187   25.980   4.6156   44.612   7.1881   58.607   5.3407 -13.99531 8.955014 
1 1 1    2   19   10 o  181.378   2.6967  245.709   7.2925  278.199   15.340  236.222   8.2891  192.471   5.3455  177.784   3.1271 14.68660 6.193010 
1 1 1    2   19   11 o   92.313   2.7950   63.671   3.8469   70.338   6.1887   59.473   4.9109   96.879   4.2845   89.143   3.6949 7.735863 5.657700 
1 1 1    2   19   12 o   27.470   8.1290   5.8340   3.5636   6.8437   5.0388   4.8236   5.0406   30.223   9.7914   27.114   9.7635 3.108574 13.82745 
1 1 1    2   19   13 o   66.153   3.9840   32.933   3.9112   28.500   6.3289   35.672   4.9749   60.875   7.1069   68.701   4.8886 -7.826942 8.625915 
1 1 1    2   19   14 f   82.504   3.2756   51.008   4.0294   50.596   6.8147   51.230   4.9963   81.573   5.6377   82.570   4.0585 -0.9964218 6.946555 
1 1 1    2   19   15 o   96.423   3.1535   69.781   4.5337   71.369   8.5182   69.153   5.3552   96.519   5.9482   95.856   3.7470 0.6626816 7.030026 
1 1 1    2   19   16 o   38.584   6.9175   11.938   3.8333   12.745   5.8647   11.336   5.0650   38.690   10.069   36.749   9.2506 1.940407 13.67352 
1 1 1    2   19   17 o   77.481   3.7950   45.677   4.3840   54.934   6.5983   38.361   5.8660   84.025   5.2939   69.940   5.6743 14.08476 7.760357 
1 1 1    2   19   18 o   21.753   8.0618   3.4896   3.4743   10.979   6.7891   0.8322   4.0440   33.862   11.381   18.877   8.0768 14.98563 13.95604 
1 1 1    2   20    0 o  119.535   3.2928  106.824   5.8584  106.824   5.8584  106.824   5.8584  119.535   3.2928  119.535   3.2928 0.000000 0.000000 
1 1 1    2   20    1 o  218.844   2.0520  357.227   6.6954  351.557   9.1547  363.747   9.8174  217.048   2.8289  220.767   2.9826 -3.718460 4.110785 
1 1 1    2   20    2 o  266.131   2.0560  528.292   8.1582  526.560   11.426  530.094   11.653  265.622   2.8850  266.507   2.9326 -0.8850403 4.113766 
1 1 1    2   20    3 o  220.021   2.3155  361.161   7.5960  371.650   11.807  353.752   9.9221  223.079   3.5498  217.692   3.0570 5.387619 4.684682 
1 1 1    2   20    4 o  366.596   2.2898  1002.69   12.516  968.377   16.865  1044.76   18.673  360.140   3.1408  374.036   3.3483 -13.89542 4.590833 
1 1 1    2   20    5 o  102.501   3.1054   78.453   4.7458   74.877   6.8291   81.792   6.6000  100.042   4.5784  104.587   4.2325 -4.544579 6.235024 
1 1 1    2   20    6 o   89.305   2.7604   59.541   3.6756   57.351   5.0151   62.082   5.4025   87.589   3.8402   91.122   3.9765 -3.532249 5.528140 
1 1 1    2   20    7 o  186.950   2.3440  260.849   6.5336  270.273   8.3648  246.103   10.463  190.234   2.9492  181.411   3.8685 8.823181 4.864442 
1 1 1    2   20    8 o  179.232   2.1666  239.744   5.7899  244.300   8.2369  235.295   8.1402  180.829   3.0551  177.463   3.0765 3.366425 4.335715 
1 1 1    2   20    9 o  206.497   2.3514  318.347   7.2396  315.245   11.116  320.633   9.5401  205.282   3.6319  207.128   3.0892 -1.846054 4.768021 
1 1 1    2   20   10 o  117.934   3.2410  104.005   5.6989  101.919   13.797  104.434   6.2577  115.564   8.0577  118.141   3.5526 -2.576279 8.806130 
1 1 1    2   20   11 o   85.174   3.0273   54.241   3.8444   66.104   6.2427   46.993   4.8795   93.867   4.4605   79.070   4.1535 14.79694 6.094930 
1 1 1    2   20   12 o   96.597   3.9408   69.951   5.6757   66.572   6.4951   80.867   11.674   94.136   4.6276  102.798   7.6716 -8.662125 8.959272 
1 1 1    2   20   13 o   30.686   8.0574   7.4841   3.7335   6.1537   5.1366   8.9742   5.4362   29.038   9.8991   33.666   10.058 -4.627625 14.11227 
1 1 1    2   20   14 o   89.379   3.3170   59.951   4.4203   58.368   7.0410   60.981   5.6788   87.550   5.4206   89.956   4.2340 -2.406326 6.878258 
1 1 1    2   20   15 o   20.492   7.7724   2.5002   3.2691   4.7877   5.6109   1.3247   4.0223   26.989   10.195   20.146   8.2979 6.843369 13.14546 
1 1 1    2   20   17 o   46.741   5.1469   17.202   3.5274   19.567   5.5325   15.582   4.5788   48.229   7.9724   43.308   7.3541 4.920422 10.84627 
1 1 1    2   20   18 o   15.321   6.8850  -0.8019   3.2825  -3.0401   6.2330   0.0571   3.8613   19.078   8.9031   17.457   7.6757 1.621794 11.75504 
1 1 1    2   21    0 o   40.843   9.7509   14.428   5.1520   14.428   5.1520   14.428   5.1520   40.843   9.7509   40.843   9.7509 0.000000 0.000000 
1 1 1    2   21    1 o  185.294   2.5922  256.237   7.1615  255.064   9.8801  257.535   10.395  184.776   3.5863  185.650   3.7556 -0.8742371 5.192843 
1 1 1    2   21    2 o  142.939   2.4358  152.469   5.1912  143.219   7.7389  160.036   6.9996  138.440   3.7492  146.389   3.2070 -7.949417 4.933703 
1 1 1    2   21    3 o  198.504   2.1660  293.996   6.4105  297.149   8.3709  289.524   9.9687  199.508   2.8141  196.868   3.3962 2.639709 4.410609 
1 1 1    2   21    4 o  166.559   2.1800  207.001   5.4137  205.280   7.2540  209.164   8.1333  165.805   2.9344  167.334   3.2600 -1.529099 4.386090 
1 1 1    2   21    5 o   20.429   7.4461   2.5644   2.9443   3.4391   3.9181   1.4298   4.4626   23.567   8.5896   21.653   8.8086 1.913893 12.30336 
1 1 1    2   21    6 o  144.952   2.2524  156.813   4.8679  150.315   6.5741  164.701   7.2430  141.844   3.1085  148.460   3.2722 -6.615143 4.513332 
1 1 1    2   21    7 o   38.558   5.6128   11.398   3.1320   14.085   4.1600   7.8805   4.7590   42.724   6.7552   31.887   9.3822 10.83695 11.56107 
1 1 1    2   21    8 o   99.324   2.8524   73.709   4.2242   75.002   6.1770   72.573   5.7896  100.068   4.1401   98.456   3.9440 1.612602 5.717992 
1 1 1    2   21    9 o  200.809   2.2260  301.063   6.6647  300.429   9.3732  301.712   9.4783  200.449   3.1363  200.871   3.1648 -0.4220428 4.455568 
1 1 1    2   21   10 o  118.606   2.9316  105.168   5.1841  104.684   8.6247  105.441   6.4867  118.035   4.9008  118.666   3.6663 -0.6310501 6.120425 
1 1 1    2   21   11 o   94.844   3.7865   67.408   5.3544   70.280   6.6158   61.954   9.1165   96.727   4.5874   90.159   6.8326 6.568222 8.229755 
1 1 1    2   21   12 o   18.945   8.2281  -0.5052   4.3200  -2.6732   5.2966   3.8031   7.4666   19.118   8.6539   28.836   11.512 -9.717714 14.40208 
1 1 1    2   21   13 o  100.215   3.4296   75.363   5.1245   77.525   8.1732   73.963   6.5781  101.001   5.4476   99.058   4.4539 1.943298 7.036599 
1 1 1    2   21   14 o   71.267   4.8246   38.713   5.0963   0.0000   0.0000   38.713   5.0963  ?   ?    71.267   4.8246 0.000000 4.824642 
1 1 1    2   21   15 o   27.659   7.9150   6.2779   3.4294   4.6995   5.2595   7.4451   4.5231   26.171   9.8748   29.960   9.2219 -3.788931 13.51130 
1 1 1    2   21   16 o   13.448   6.3955  -3.8743   3.5012  -5.2451   5.0093  -2.5651   4.8955   16.028   7.6301   17.609   8.1021 -1.580675 11.12939 
1 1 1    2   21   17 o   15.019   6.8266  -1.3225   3.3379  -0.1840   5.0423  -2.2106   4.4534   19.486   8.6596   16.696   7.6990 2.789093 11.58715 
1 1 1    2   22    0 o  107.142   3.6031   85.961   5.7411   85.961   5.7411   85.961   5.7411  107.142   3.6031  107.142   3.6031 0.000000 0.000000 
1 1 1    2   22    1 o  250.195   2.1014  467.076   7.8389  467.096   10.886  467.054   11.297  250.096   2.9193  250.068   3.0301 0.2818298E-01 4.207576 
1 1 1    2   22    2 o  286.751   2.1558  613.581   9.2169  608.190   12.636  619.710   13.474  285.365   2.9698  288.024   3.1376 -2.659180 4.320212 
1 1 1    2   22    3 o   79.825   3.0233   47.597   3.5982   50.054   4.6503   43.932   5.6803   81.812   3.8123   76.396   5.0147 5.415108 6.299294 
1 1 1    2   22    4 o  149.815   2.2718  167.520   5.0745  159.968   6.6053  178.396   7.9269  146.332   3.0275  154.484   3.4415 -8.151733 4.583639 
1 1 1    2   22    5 o  109.720   2.5763   89.892   4.2145   86.562   5.4737   94.741   6.6048  107.603   3.4118  112.518   3.9370 -4.915253 5.209685 
1 1 1    2   22    6 o   79.589   3.3344   47.362   3.9568   44.071   4.8005   54.336   6.9878   76.591   4.2201   84.847   5.5544 -8.256569 6.975668 
1 1 1    2   22    7 o  171.172   2.7257  218.901   6.9563  224.007   8.9121  210.940   11.128  173.043   3.4543  167.728   4.4499 5.314850 5.633250 
1 1 1    2   22    8 o  161.712   2.2981  195.279   5.5410  196.223   7.8106  194.323   7.8622  161.970   3.2343  161.177   3.2717 0.7926483 4.600472 
1 1 1    2   22    9 o   23.770   7.8064   4.1372   3.1984   0.0784   4.4253   8.5758   4.6278   19.870   8.4739   32.940   9.1144 -13.07025 12.44509 
1 1 1    2   22   10 o  131.194   2.5655  128.625   5.0184  120.586   7.0261  136.997   7.1702  126.858   3.7147  135.244   3.5558 -8.386032 5.142276 
1 1 1    2   22   11 o  150.103   2.5540  168.435   5.7158  168.312   8.2306  168.550   7.9438  149.821   3.6846  149.958   3.5530 -0.1363831 5.118552 
1 1 1    2   22   12 o  108.030   2.8201   87.375   4.5423   90.228   7.0221   85.323   5.9563  109.470   4.3023  106.579   3.7483 2.890152 5.706098 
1 1 1    2   22   13 o   19.343   8.0282   0.9608   3.8051   5.1846   5.8379  -2.1591   5.0174   27.969   10.433   18.732   8.4559 9.237223 13.42978 
1 1 1    2   22   14 f   25.379   8.9595   4.7736   4.2247   12.608   11.144   3.4586   4.5655   38.662   14.416   23.776   9.1450 14.88650 17.07226 
1 1 1    2   22   15 o   62.339   4.1370   29.800   3.8233   24.605   5.7834   33.833   5.0957   55.074   7.2168   65.907   5.2285 -10.83321 8.911790 
1 1 1    2   22   16 o   22.517   8.2922   3.8108   3.6650   9.1426   5.1917  -1.4858   5.1745   31.721   9.8992   18.749   8.5132 12.97191 13.05641 
1 1 1    2   22   17 o   24.472   7.8764   5.2374   3.2646   4.2158   5.5298   5.7839   4.0446   24.121   9.8082   25.527   8.7821 -1.405720 13.16531 
1 1 1    2   23    0 o   12.697   8.3977  -0.9745   4.1447  -0.9745   4.1447  -0.9745   4.1447   12.697   8.3977   12.697   8.3977 0.000000 0.000000 
1 1 1    2   23    1 o  114.958   2.5218   98.674   4.3224   95.122   5.8329  102.999   6.4372  112.792   3.4685  117.347   3.6792 -4.555481 5.056352 
1 1 1    2   23    2 o   88.373   2.8898   58.344   3.8076   59.780   4.9889   56.339   5.8928   89.390   3.7432   86.585   4.5810 2.805687 5.915835 
1 1 1    2   23    3 o   82.175   3.0207   50.462   3.7010   50.838   4.8209   49.921   5.7754   82.414   3.9233   81.451   4.7766 0.9631119 6.181330 
1 1 1    2   23    4 o  156.738   2.6238  183.492   6.1316  173.190   9.1735  191.811   8.2436  152.076   4.0458  160.141   3.4526 -8.064682 5.318737 
1 1 1    2   23    5 o   55.370   4.0365   23.086   3.3094   17.366   4.1381   33.235   5.5124   47.658   5.9534   66.226   5.6363 -18.56791 8.198205 
1 1 1    2   23    6 o  134.554   2.8297  135.313   5.6769  133.234   7.1946  138.742   9.2408  133.410   3.6170  135.974   4.5581 -2.564331 5.818829 
1 1 1    2   23    7 o   77.979   3.3089   45.500   3.8471   40.443   5.0362   52.585   5.9613   73.245   4.6355   83.525   4.8072 -10.27951 6.678132 
1 1 1    2   23    8 o   24.306   7.9895   4.3351   3.3499   0.1549   4.5067   9.4966   5.0078   20.115   8.5643   34.572   9.4466 -14.45691 12.75090 
1 1 1    2   23    9 o  106.223   3.2181   84.454   5.0967   92.216   8.3290   79.807   6.4441  110.674   5.0475  103.116   4.1915 7.558357 6.560898 
1 1 1    2   23   10 o   54.407   4.8380   22.465   3.8836   25.348   5.7492   20.046   5.2669   57.336   6.8615   50.823   7.1482 6.513004 9.908472 
1 1 1    2   23   11 o   88.919   3.3653   59.302   4.4616   54.988   6.3804   63.430   6.2411   85.159   5.0476   91.730   4.5633 -6.570282 6.804583 
1 1 1    2   23   12 o  106.967   2.9426   85.814   4.6931   86.353   7.3679   85.446   6.0878  106.832   4.6257  106.515   3.8334 0.3169479 6.007617 
1 1 1    2   23   13 o   30.012   8.2814   7.3870   3.8266   5.4080   5.6414   9.0736   5.2078   27.721   10.273   33.001   9.8411 -5.280109 14.22605 
1 1 1    2   23   14 o   48.198   5.1697   18.117   3.6570   20.702   5.6178   16.216   4.8175   50.279   7.7424   44.504   7.5288 5.774845 10.79938 
1 1 1    2   23   15 o   34.469   6.8926   9.8723   3.4185   10.172   5.1996   9.6444   4.5367   33.580   9.7861   33.062   8.9736 0.5180664 13.27755 
1 1 1    2   23   16 o   55.029   4.2534   23.650   3.4627   34.880   5.7348   17.207   4.3439   65.556   5.9315   45.456   6.6025 20.09988 8.875552 
1 1 1    2   24    0 o   16.980   10.060   2.4251   4.4078   2.4251   4.4078   2.4251   4.4078   16.980   10.060   16.980   10.060 0.000000 0.000000 
1 1 1    2   24    1 o   78.876   3.0831   46.512   3.6257   47.787   4.9484   45.034   5.3277   79.748   4.1763   77.338   4.6419 2.410042 6.244055 
1 1 1    2   24    2 o  192.654   2.2038  277.103   6.3303  270.817   8.3693  285.508   9.6773  190.345   2.9490  195.370   3.3222 -5.025055 4.442255 
1 1 1    2   24    3 o   41.239   5.8297   13.059   3.4846   15.245   4.2682   8.6911   6.0339   44.444   6.6452   33.711   10.693 10.73242 12.58978 
1 1 1    2   24    4 o   84.184   3.2721   53.020   4.1070   53.512   5.2392   52.235   6.6146   84.482   4.1594   83.143   5.3645 1.338455 6.788136 
1 1 1    2   24    5 o   61.216   4.1556   28.231   3.7704   27.749   4.3691   29.639   7.4626   60.568   4.8794   61.803   8.3090 -1.235100 9.635798 
1 1 1    2   24    6 o  159.514   2.4000  190.089   5.7080  184.133   7.4750  198.419   8.8404  156.868   3.1960  162.749   3.6432 -5.880783 4.846386 
1 1 1    2   24    7 o   68.966   3.6813   35.743   3.7717   33.816   4.9224   38.483   5.8698   66.853   4.9739   71.213   5.5728 -4.359596 7.469701 
1 1 1    2   24    8 o   41.486   6.0525   13.284   3.6335   13.566   4.9350   12.950   5.3696   41.390   8.2860   40.231   9.1574 1.158665 12.34974 
1 1 1    2   24    9 o   51.814   5.6909   20.547   4.3241   38.649   7.1195   9.9666   5.4430   70.937   6.8153   35.250   9.9315 35.68749 12.04503 
1 1 1    2   24   10 o   21.848   8.2297   2.8114   3.6495   2.2491   5.2785   3.3264   5.0513   23.787   9.6147   24.771   9.5936 -0.9837360 13.58234 
1 1 1    2   24   11 o   76.330   3.7631   43.864   4.2827   43.780   6.1987   43.940   5.9238   75.639   5.5349   75.870   5.2694 -0.2302704 7.642130 
1 1 1    2   24   12 o   47.170   5.4607   17.253   3.7694   21.804   6.4862   14.932   4.6319   51.719   8.7217   43.121   7.4753 8.598003 11.48686 
1 1 1    2   24   13 o   28.155   8.4683   6.5867   3.8441  -2.5054   6.8697   10.731   4.6382   21.401   9.7528   35.568   8.7955 -14.16691 13.13310 
1 1 1    2   24   14 o   16.849   7.5242  -0.8321   3.8553  -2.0188   4.9947   0.9169   6.0638   18.126   8.2818   22.350   9.7278 -4.224819 12.77570 
1 1 1    2   24   15 o   21.388   8.3315   3.1336   3.8267  -2.5707   5.3140   9.2783   5.5152   17.969   8.3294   31.350   10.249 -13.38019 13.20675 
1 1 1    2   25    0 o   73.140   4.9271   40.553   5.3170   40.553   5.3170   40.553   5.3170   73.140   4.9271   73.140   4.9271 0.000000 0.000000 
1 1 1    2   25    1 o   94.209   2.9261   66.367   4.1101   65.677   5.4225   67.298   6.3010   93.609   3.8852   94.675   4.4637 -1.066971 5.917746 
1 1 1    2   25    2 o   82.271   3.5478   50.690   4.3518   48.628   4.9287   57.984   9.2701   80.413   4.1248   87.093   7.2036 -6.680168 8.300923 
1 1 1    2   25    3 o   70.509   5.0434   37.600   5.2670   37.251   6.8382   38.108   8.2586   69.814   6.6499   70.233   8.0310 -0.4197845 10.42680 
1 1 1    2   25    4 o  117.948   2.6563  103.993   4.6714  103.649   5.9385  104.551   7.5658  117.653   3.3853  118.005   4.3001 -0.3514633 5.472822 
1 1 1    2   25    5 o   44.378   5.6954   15.106   3.6815   12.338   4.1752   24.781   7.8048   39.662   7.3304   55.886   9.7196 -16.22410 12.17398 
1 1 1    2   25    6 o  140.651   2.8998  147.994   6.0810  154.546   7.0514  128.982   12.011  143.658   3.2921  130.502   6.1731 13.15555 6.996099 
1 1 1    2   25    7 o  180.044   2.5162  242.339   6.7546  241.984   8.6439  242.895   10.825  179.749   3.2253  179.851   4.0367 -0.1020355 5.166996 
1 1 1    2   25    8 o   65.091   4.1833   31.989   4.0383   26.395   5.4698   38.692   5.9873   58.590   6.3639   71.254   5.6830 -12.66452 8.532082 
1 1 1    2   25    9 o  105.292   3.9634   83.411   6.2221   56.293   14.209   89.845   6.9209   82.933   11.826  109.202   4.2507 -26.26870 12.56695 
1 1 1    2   25   10 o   29.609   8.1235   7.0705   3.6944   5.0768   5.2532   9.0216   5.1966   27.198   9.9410   33.261   9.8091 -6.062885 13.96578 
1 1 1    2   25   11 o   52.403   7.8555   22.040   5.9485   20.441   6.7084   27.925   12.867   49.700   9.3973   54.459   15.244 -4.759212 17.90796 
1 1 1    2   25   12 o   37.825   7.4782   11.745   4.0679   23.359   6.6280   4.7264   5.1525   53.003   8.6882   25.930   9.7763 27.07241 13.07902 
1 1 1    2   25   13 o   22.537   8.3583   3.6781   3.7358   8.0087   7.0723   2.0020   4.3998   30.674   11.476   21.046   8.6749 9.627737 14.38545 
1 1 1    2   25   14 o   24.513   8.0038   5.1128   3.3639   9.0609   5.0346   1.9288   4.5213   31.290   9.7457   20.763   8.6955 10.52693 13.06101 
1 1 1    2   25   15 o   24.911   8.2058   5.5619   3.5331   5.1867   5.3664   5.8491   4.6940   24.881   9.8143   25.508   9.3858 -0.6267853 13.57985 
1 1 1    2   26    0 o   26.531   11.284   7.5580   4.5358   7.5580   4.5358   7.5580   4.5358   26.531   11.284   26.531   11.284 0.000000 0.000000 
1 1 1    2   26    1 o   27.597   7.7262   5.9862   3.3050   5.0419   4.3846   7.2287   5.0294   26.594   9.1440   30.701   9.7652 -4.107723 13.37805 
1 1 1    2   26    2 o   20.462   7.7537   2.3399   3.2514   0.4502   4.0167   5.9314   5.5375   19.351   8.1547   29.116   10.260 -9.764803 13.10587 
1 1 1    2   26    3 o   47.663   5.8963   17.437   4.1008   15.845   5.2933   19.827   6.4853   44.805   8.2269   50.010   9.0300 -5.204479 12.21566 
1 1 1    2   26    4 o   56.448   5.5316   24.295   4.5957   20.584   5.6305   31.702   7.9543   51.392   7.5754   63.662   8.6003 -12.27028 11.46084 
1 1 1    2   26    5 o   89.059   3.3712   59.439   4.4764   61.547   5.3434   54.479   8.1978   90.534   3.9585   84.408   6.5656 6.126289 7.666626 
1 1 1    2   26    6 o   81.938   3.9504   50.440   4.8261   53.965   5.5226   39.049   9.9274   84.565   4.3952   70.162   9.7538 14.40327 10.69832 
1 1 1    2   26    7 o   50.775   5.3779   19.734   4.0093   22.953   4.9525   13.612   6.8299   54.584   6.1951   40.680   10.998 13.90371 12.62238 
1 1 1    2   26    8 o   47.846   6.2759   17.772   4.3690   19.503   6.5639   16.396   5.8543   49.100   9.3069   45.022   9.0354 4.078186 12.97139 
1 1 1    2   26    9 o   71.050   4.0210   38.224   4.2421   42.791   6.0722   33.870   5.9289   74.704   5.4902   66.205   6.0741 8.498260 8.187647 
1 1 1    2   26   10 o   22.288   8.5366   2.9848   3.9677   3.0116   6.0029   2.9641   5.2873   25.203   10.230   24.170   9.6741 1.033491 14.07987 
1 1 1    2   26   11 o   58.036   5.0235   26.103   4.3039   27.858   5.4894   23.302   6.9339   59.341   6.3008   52.579   9.1790 6.762539 11.13344 
1 1 1    2   26   12 o   74.284   3.4745   41.979   3.8483   38.409   5.8481   44.705   5.1107   69.708   5.6761   76.007   4.5303 -6.299446 7.262387 
1 1 1    2   26   13 o   35.189   7.0025   10.463   3.5447   11.401   6.5333   10.072   4.2198   34.141   11.154   33.683   8.4242 0.4582062 13.97817 
1 1 1    2   26   14 o   29.438   7.5503   7.7174   3.3299   7.0616   4.9096   8.2760   4.5314   27.402   9.6602   29.502   9.2551 -2.100321 13.37824 
1 1 1    2   27    0 o   22.743   11.401   5.8036   4.7375   5.8036   4.7375   5.8036   4.7375   22.743   11.401   22.743   11.401 0.000000 0.000000 
1 1 1    2   27    1 o   16.556   7.1912  -0.4182   3.3003  -3.4945   4.2285   4.3763   5.2789   15.974   7.4136   26.572   9.9196 -10.59779 12.38387 
1 1 1    2   27    2 o  119.811   3.2452  107.566   5.7971  104.485   9.3572  109.484   7.3852  117.569   5.3380  120.689   4.1042 -3.120117 6.733408 
1 1 1    2   27    3 o   60.870   4.6420   28.079   4.1811   31.203   4.7086   16.433   9.0915   64.113   4.9645   44.492   12.933 19.62063 13.85289 
1 1 1    2   27    4 o   91.581   3.4705   62.925   4.7388   61.872   5.4413   66.233   9.6418   90.712   4.0231   92.806   7.0199 -2.093941 8.091064 
1 1 1    2   27    5 o   30.791   7.8873   7.5916   3.6370   4.6237   4.3899   14.087   6.4946   25.760   9.1289   41.408   10.503 -15.64862 13.91609 
1 1 1    2   27    6 o   64.378   4.2548   31.383   4.0610   32.493   4.9974   29.227   6.9683   65.272   5.1776   60.993   7.8444 4.278442 9.399027 
1 1 1    2   27    7 o   75.232   3.7558   42.629   4.2128   44.288   5.6155   40.493   6.3715   76.239   4.9673   72.546   5.9427 3.693352 7.745302 
1 1 1    2   27    8 o   36.583   8.0046   10.894   4.2448   17.957   6.6387   6.0100   5.5207   46.408   9.8966   28.564   10.225 17.84316 14.23009 
1 1 1    2   27    9 o   85.118   3.7230   54.816   4.7249   61.681   7.1453   49.481   6.2984   89.432   5.3838   80.109   5.3033 9.323174 7.557109 
1 1 1    2   27   10 o   61.564   4.4421   29.159   4.0500   31.139   5.7189   27.168   5.7363   62.738   6.1947   58.269   6.7264 4.469532 9.144318 
1 1 1    2   27   11 o   22.566   8.1873   3.8401   3.5538   0.9621   4.8492   7.1791   5.2232   20.521   8.8141   28.850   9.9768 -8.328367 13.31256 
1 1 1    2   27   12 o   52.350   5.0351   21.730   3.8816   17.211   5.1168   27.854   5.9573   44.601   7.9878   57.755   7.0654 -13.15408 10.66423 
1 1 1    2   27   13 o   32.831   8.2393   9.8390   4.0267   35.020   11.660   6.4289   4.2907   54.030   14.264   26.421   9.0472 27.60933 16.89116 
1 1 1    2   28    0 o   19.445   10.777   4.0023   4.5905   4.0023   4.5905   4.0023   4.5905   19.445   10.777   19.445   10.777 0.000000 0.000000 
1 1 1    2   28    1 o   18.038   7.8739  -0.5706   3.9984   4.4268   7.0242  -2.9660   4.8632   28.630   11.249   17.822   8.1541 10.80811 13.89344 
1 1 1    2   28    2 o   72.706   4.0913   39.934   4.4170   42.737   4.9849   29.691   9.5287   75.128   4.4705   60.149   11.032 14.97898 11.90299 
1 1 1    2   28    3 o   19.064   7.9438   0.8038   3.7466   2.7457   4.1200  -8.4761   9.0066   22.449   8.6726   22.219   10.474 0.2299423 13.59827 
1 1 1    2   28    4 o   80.231   3.4558   48.381   4.1339   53.320   5.2241   40.108   6.7612   84.071   4.1677   72.098   6.3547 11.97308 7.599509 
1 1 1    2   28    5 o   39.090   7.0054   12.132   3.9330   15.051   4.5591   3.6434   7.7758   43.549   7.2784   28.445   11.606 15.10420 13.69931 
1 1 1    2   28    6 o   31.102   8.6864   7.9165   4.1829   16.286   6.0743   0.3682   5.7685   44.346   9.4745   22.303   9.5972 22.04268 13.48601 
1 1 1    2   28    7 o   93.072   3.2591   65.265   4.5226   78.375   6.2703   51.050   6.5295  101.665   4.1366   81.401   5.4107 20.26363 6.810870 
1 1 1    2   28    8 o   20.747   8.4779   1.7912   4.1571  -1.8121   6.6338   4.1211   5.3344   21.577   9.7332   25.390   9.8517 -3.812885 13.84888 
1 1 1    2   28    9 o   59.319   4.4973   27.176   3.9480   26.887   5.3548   27.520   5.8437   58.063   6.2857   58.410   6.8396 -0.3468132 9.289278 
1 1 1    2   28   10 o   34.170   7.3150   9.8668   3.6143   11.865   5.0030   7.6852   5.2271   36.432   9.2065   29.440   9.9862 6.992805 13.58249 
1 1 1    2   28   11 o   31.102   7.9382   8.5453   3.6935   4.5483   4.6247   15.584   6.1372   24.088   9.2186   40.436   10.185 -16.34816 13.73744 
1 1 1    2   28   12 o   58.521   4.4347   27.077   3.8407   25.313   5.2875   29.047   5.5880   54.736   6.6130   58.796   6.4822 -4.059872 9.260170 
1 1 1    2   28   13 o   13.283   6.2638  -2.4550   3.2269  -0.9290   4.9857  -3.5552   4.2331   17.790   8.1824   14.651   6.9856 3.139210 10.75871 
1 1 1    2   29    0 o   21.889   12.914   4.4958   7.2114   4.4958   7.2114   4.4958   7.2114   21.889   12.914   21.889   12.914 0.000000 0.000000 
1 1 1    2   29    1 f   35.901   7.7529   10.415   4.0285   8.7164   4.6151   15.850   8.2569   32.615   9.1296   42.901   12.283 -10.28590 15.30428 
1 1 1    2   29    2 o  108.589   3.2272   88.658   5.2250   83.501   5.9896  105.074   10.687  105.205   3.8185  116.765   6.1604 -11.55975 7.247838 
1 1 1    2   29    3 o   72.865   3.5969   40.025   3.9077   34.743   4.8399   49.914   6.6230   67.420   4.8472   80.580   5.5463 -13.16087 7.365932 
1 1 1    2   29    4 o   49.059   5.1104   18.566   3.6832   19.798   4.6355   16.458   6.0658   50.244   6.3284   44.452   9.4437 5.791946 11.36804 
1 1 1    2   29    5 o   51.888   5.3430   20.869   4.0745   19.691   4.7045   24.405   8.1506   49.950   6.4688   53.468   10.599 -3.517563 12.41675 
1 1 1    2   29    6 o   25.077   8.4142   4.9357   3.7105   0.3989   4.7649   11.925   5.9143   20.235   8.7149   37.023   10.325 -16.78757 13.51126 
1 1 1    2   29    7 o   44.483   6.1405   15.786   3.9640   9.2166   5.8753   21.276   5.3705   32.475   10.576   51.145   7.2454 -18.67012 12.82006 
1 1 1    2   29    8 o   39.046   7.2818   12.703   4.0832   15.259   6.2822   10.833   5.3729   40.916   10.304   34.651   9.9041 6.264862 14.29199 
1 1 1    2   29    9 f   66.668   4.0911   34.405   4.0469   40.020   5.5693   28.124   5.8907   71.057   5.2949   58.300   6.9115 12.75698 8.706542 
1 1 1    2   29   10 o   18.713   8.3491  -0.1505   4.7359  -0.1505   4.7359   0.0000   0.0000   18.713   8.3491  ?   ?  0.000000 8.349128 
1 1 1    2   29   11 o   21.388   8.1227   3.6523   3.5734   1.9451   4.8003   5.7743   5.3517   20.468   8.7797   25.331   9.8568 -4.862965 13.20003 
1 1 1    2   29   12 o   29.015   7.9262   8.0032   3.5260   11.624   4.9347   4.2263   5.0401   33.584   9.4544   22.595   9.2957 10.98888 13.25877 
1 1 1    2   30    0 o   69.305   5.2646   36.806   5.3679   36.806   5.3679   36.806   5.3679   69.305   5.2646   69.305   5.2646 0.000000 0.000000 
1 1 1    2   30    1 o   96.104   2.9647   69.526   4.2480   73.988   5.8914   64.694   6.1310   98.747   4.0015   92.140   4.4628 6.606789 5.994087 
1 1 1    2   30    2 o   30.139   7.6091   7.4889   3.4198   4.7756   4.4267   11.506   5.3859   25.436   9.1507   36.671   9.7009 -11.23488 13.33571 
1 1 1    2   30    3 o   73.912   3.7907   41.549   4.1633   43.419   5.3854   38.771   6.5634   75.102   4.8352   70.156   6.3434 4.945557 7.976030 
1 1 1    2   30    4 o   43.308   6.2354   14.963   3.9102   14.580   4.9097   15.625   6.4658   41.818   8.1675   42.089   10.371 -0.2715187 13.20070 
1 1 1    2   30    5 o   61.060   4.1934   28.658   3.7945   32.135   5.0209   24.027   5.7942   64.114   5.3000   54.222   7.3572 9.891869 9.067400 
1 1 1    2   30    6 o   21.347   8.1349   3.0759   3.5917   4.3582   4.5281   0.9002   5.8981   24.300   9.1640   22.063   9.5983 2.236549 13.27050 
1 1 1    2   30    7 o   45.037   5.2998   16.161   3.4907   16.044   4.7424   16.299   5.1569   43.488   7.5901   43.360   8.2787 0.1281204 11.23148 
1 1 1    2   30    8 o   12.607   6.0690  -4.2755   3.3687  -5.5645   4.4926  -2.6197   5.0916   14.408   6.9541   17.440   8.1078 -3.032598 10.68155 
1 1 1    2   30    9 o   24.213   8.2125   5.1885   3.5352   5.8390   4.7126   4.3514   5.3461   25.501   9.4012   23.874   9.6669 1.627289 13.48450 
1 1 1    2   30   10 o   16.695   7.4914  -0.2383   3.8707   0.7288   4.5888  -2.6236   7.2067   18.780   8.3074   19.800   9.3444 -1.020626 12.50324 
1 1 1    2   30   11 o   40.105   6.4023   14.092   3.6996   17.108   5.1096   10.768   5.3637   42.076   8.4385   31.157   10.103 10.91926 13.16351 
1 1 1    2   31    0 o   22.404   11.170   5.8906   4.5367   5.8906   4.5367   5.8906   4.5367   22.404   11.170   22.404   11.170 0.000000 0.000000 
1 1 1    2   31    1 o   34.874   6.5850   9.9610   3.2985   6.7581   4.4341   13.929   4.9356   28.180   9.1885   40.355   8.4729 -12.17484 12.49872 
1 1 1    2   31    2 o   42.806   5.4755   14.545   3.4145   16.700   4.5490   11.763   5.1678   45.105   6.9903   36.403   9.4414 8.702076 11.74751 
1 1 1    2   31    3 o   12.487   6.0038  -4.2954   3.2734  -4.3699   4.3763  -4.2007   4.9320   15.110   7.1753   16.393   7.7345 -1.282982 10.55024 
1 1 1    2   31    4 o   42.676   6.2286   14.839   3.8464   13.765   4.5458   17.547   7.2171   40.092   7.8856   42.736   11.193 -2.643929 13.69211 
1 1 1    2   31    5 o   33.866   6.7902   9.6564   3.3092   8.6160   4.5052   10.876   4.8768   30.763   9.1485   34.443   9.2853 -3.680502 13.03504 
1 1 1    2   31    6 o   29.538   8.2019   7.8396   3.7406   2.6256   5.9486   11.249   4.8106   22.965   9.8101   34.797   9.1506 -11.83161 13.41534 
1 1 1    2   31    7 o   50.339   5.0132   20.354   3.7125   22.168   4.7520   17.512   5.9475   51.510   6.3201   42.860   9.5512 8.649529 11.45294 
1 1 1    2   31    8 o   20.062   7.8124   3.0000   3.3638   6.6449   4.4206  -2.0134   5.1845   26.325   9.1741   17.540   8.1632 8.785536 12.28011 
1 1 1    2   31    9 o   27.604   8.0527   7.2985   3.5192   5.8072   4.6823   9.2348   5.3352   24.507   9.3002   29.242   10.085 -4.735138 13.71854 
1 1 1    2   31   10 o   21.713   8.1353   4.4148   3.5570   2.4946   4.7230   6.9312   5.4067   19.929   8.6293   25.189   9.8779 -5.260204 13.11630 
1 1 1    2   32    0 o   30.362   10.918   9.6485   4.5235   9.6485   4.5235   9.6485   4.5235   30.362   10.918   30.362   10.918 0.000000 0.000000 
1 1 1    2   32    1 o   16.245   7.0184   0.3423   3.1101   5.4293   4.2246  -5.6765   4.5953   25.148   8.9508   14.565   7.0308 10.58324 11.38195 
1 1 1    2   32    2 o   24.774   7.6304   5.3435   3.0961  -0.5911   4.1045   13.178   4.7158   17.218   7.7209   38.287   8.4843 -21.06853 11.47147 
1 1 1    2   32    3 o   14.040   6.4717  -1.6701   3.1425   0.5892   4.0991  -4.8912   4.8944   18.323   7.9860   15.518   7.4296 2.804646 10.90756 
1 1 1    2   32    4 o   21.449   8.0194   3.6417   3.4528   3.5650   4.1547   3.8128   6.2079   21.936   8.6409   23.980   10.123 -2.043900 13.30963 
1 1 1    2   32    5 o   22.025   8.1849   4.0276   3.5861   7.6186   5.5712   1.4871   4.6859   27.795   10.226   19.867   8.5990 7.927814 13.36058 
1 1 1    2   32    6 o   24.212   7.7340   5.3578   3.1522   9.1993   4.2820   0.8135   4.6573   30.716   8.8604   18.945   8.3754 11.77135 12.19240 
1 1 1    2   32    7 o   26.832   8.8015   7.1684   4.0662   10.065   6.4603   5.2678   5.2327   29.527   10.983   23.885   9.6015 5.642025 14.58837 
1 1 1    2   32    8 o   34.126   7.1033   10.728   3.4967   7.7562   4.6441   14.618   5.3132   26.840   9.4003   37.092   9.5502 -10.25274 13.40043 
1 1 1    2   33    0 o   13.659   8.8993   0.2386   4.3967   0.2386   4.3967   0.2386   4.3967   13.659   8.8993   13.659   8.8993 0.000000 0.000000 
1 1 1    2   33    1 o   23.648   7.7585   5.0695   3.1596   5.3552   4.4469   4.7782   4.4900   24.230   9.0927   23.417   9.0518 0.8123722 12.83011 
1 1 1    2   33    2 o   20.109   7.5607   3.2479   3.0775   4.5930   4.1870   1.6672   4.5389   22.940   8.7733   19.603   8.4738 3.337709 12.19739 
1 1 1    2   33    3 o   21.768   8.0953   4.1115   3.5092   3.7292   4.2415   4.9409   6.2473   21.632   8.6625   24.165   10.176 -2.533241 13.36369 
1 1 1    2   33    4 o   40.281   5.9925   13.876   3.4894   18.438   4.7923   8.7277   5.0906   45.133   7.3765   28.600   9.8517 16.53327 12.30722 
1 1 1    2   33    5 o   15.032   6.9732  -1.4419   3.7349  -0.3339   5.5329  -2.3695   5.0622   18.619   8.5840   16.611   7.8369 2.007839 11.62337 
1 1 1    2   33    6 o   13.565   6.4185  -2.3665   3.4401   5.1325   4.6353 -11.5618   5.1329   22.839   9.0855   12.457   6.2570 10.38224 11.03159 
1 1 1    2   33    7 o   15.748   7.0404   0.3799   3.3858  -2.7779   4.5797   4.1861   5.0281   15.164   7.2401   21.349   9.0669 -6.184990 11.60295 
1 1 1    2   34    0 o   14.490   9.2086   1.3370   4.3434   1.3370   4.3434   1.3370   4.3434   14.490   9.2086   14.490   9.2086 0.000000 0.000000 
1 1 1    2   34    1 o   25.852   7.6229   6.5101   3.1385   4.0778   4.3330   9.1949   4.5523   21.394   8.6888   29.051   9.2958 -7.657068 12.72424 
1 1 1    2   34    2 o   28.679   8.1880   8.3243   3.6744   8.4948   4.5798   8.0163   6.1558   27.709   9.3477   25.955   10.421 1.753424 13.99911 
1 1 1    2   34    3 o   20.503   7.8209   3.8794   3.3219   4.0417   4.4417   3.6733   5.0041   21.139   8.7149   20.994   8.9837 0.1444435 12.51622 
1 1 1    2   34    4 o   19.391   8.0064   3.1137   3.7562   6.9460   5.9157   0.5248   4.8622   24.221   10.028   17.805   8.1488 6.416344 12.92144 
1 1 1    3    1    0 o  1079.49   6.6172  8690.92  106.494  8690.92  106.494  8690.92  106.494  1079.49   6.6172  1079.49   6.6172 0.000000 0.000000 
1 1 1    3    1    1 o   94.353   1.2941   66.368   1.8205   63.754   2.2696   71.085   3.0488   92.475   1.6461   97.646   2.0941 -5.171066 2.663630 
1 1 1    3    1    2 o  163.082   1.3064  198.272   3.1766  197.460   4.4799  199.094   4.5050  162.745   1.8462  163.417   1.8489 -0.6718597 2.612895 
1 1 1    3    1    3 o  401.963   2.0392  1204.61   12.221  1213.23   21.345  1200.42   14.906  403.364   3.5492  401.254   2.4916 2.110321 4.336514 
1 1 1    3    1    4 o  315.824   1.6817  743.650   7.9188  737.592   12.033  748.278   10.518  314.517   2.5659  316.795   2.2267 -2.278015 3.397383 
1 1 1    3    1    5 o  400.261   2.1294  1194.61   12.708  1191.07   17.932  1198.17   18.012  399.624   3.0096  400.813   3.0141 -1.189117 4.259380 
1 1 1    3    1    6 o  141.465   1.5983  149.208   3.3712  151.463   6.3660  148.329   3.9743  142.508   2.9961  141.044   1.8899 1.464020 3.542347 
1 1 1    3    1    7 o  731.737   2.9468  3992.68   32.150  3977.86   52.329  4001.66   40.747  730.221   4.8064  732.502   3.7309 -2.281616 6.084517 
1 1 1    3    1    8 o  306.800   1.7741  701.752   8.1153  672.404   15.919  712.058   9.4332  300.281   3.5555  309.040   2.0473 -8.759460 4.102822 
1 1 1    3    1    9 o  188.644   1.6604  265.310   4.6701  272.478   8.0646  261.694   5.7283  191.163   2.8295  187.350   2.0507 3.812531 3.494485 
1 1 1    3    1   10 o  386.330   2.1890  1112.80   12.609  1130.04   19.311  1099.98   16.647  389.278   3.3273  384.080   2.9070 5.197937 4.418303 
1 1 1    3    1   11 o  291.171   1.8375  632.110   7.9770  620.190   13.698  638.228   9.8128  288.376   3.1858  292.568   2.2495 -4.191650 3.899951 
1 1 1    3    1   12 o  290.278   2.2495  628.336   9.7357   0.0000   0.0000  628.336   9.7357  ?   ?   290.278   2.2495 0.000000 2.249489 
1 1 1    3    1   13 o  139.631   2.0537  145.397   4.2755  149.425   7.4262  143.400   5.2292  141.504   3.5199  138.656   2.5294 2.847763 4.334482 
1 1 1    3    1   14 o  154.283   2.5152  177.578   5.7859  179.389   8.1303  175.720   8.2355  155.015   3.5178  153.416   3.6004 1.598312 5.033628 
1 1 1    3    1   15 o  233.520   1.9252  406.740   6.7032  411.037   11.804  404.695   8.1437  234.621   3.3743  232.902   2.3452 1.719055 4.109269 
1 1 1    3    1   16 o  168.039   2.5222  210.743   6.3193   0.0000   0.0000  210.743   6.3193  ?   ?   168.039   2.5222 0.000000 2.522240 
1 1 1    3    1   17 o  148.275   2.3748  164.090   5.2501  179.596   10.754  159.238   6.0157  154.866   4.6574  146.036   2.7628 8.829773 5.415242 
1 1 1    3    1   18 o  120.792   2.6835  108.973   4.8329  117.962   10.378  106.483   5.4613  125.296   5.5552  119.370   3.0685 5.925598 6.346369 
1 1 1    3    1   19 o   41.897   6.1365   13.541   3.7197   27.642   8.1797   9.8646   4.1765   59.188   9.5977   35.261   8.1129 23.92758 12.56717 
1 1 1    3    1   20 o   35.097   7.2033   9.7997   3.6430   10.052   11.232   9.7701   3.8512   37.891   14.398   34.945   7.6076 2.946667 16.28458 
1 1 1    3    1   21 o   18.945   8.9518  -6.3748   6.6504  -6.2524   9.0264  -6.5201   9.8359   22.910   10.699   23.932   11.173 -1.022316 15.46950 
1 1 1    3    1   22 f   16.601   7.3837  -0.8155   3.6733   0.0000   0.0000  -0.8155   3.6733  ?   ?    16.601   7.3837 0.000000 7.383711 
1 1 1    3    2    0 o  781.864   6.0137  4559.33   70.095  4559.33   70.095  4559.33   70.095  781.864   6.0137  781.864   6.0137 0.000000 0.000000 
1 1 1    3    2    1 o  1046.55   4.9852  8168.30   77.789  8129.01   99.804  8229.12  124.164  1043.90   6.4123  1050.13   7.9302 -6.229370 10.19831 
1 1 1    3    2    2 o  444.441   1.9973  1472.65   13.235  1461.08   20.081  1481.53   17.598  442.672   3.0426  445.768   2.6477 -3.096100 4.033340 
1 1 1    3    2    3 o  336.007   1.5791  841.707   7.9111  840.918   11.194  842.494   11.182  335.840   2.2356  336.155   2.2310 -0.3146973 3.158363 
1 1 1    3    2    4 o  235.695   1.3972  414.164   4.9099  417.278   6.9740  411.104   6.9137  236.572   1.9772  234.815   1.9748 1.756546 2.794456 
1 1 1    3    2    5 o   47.237   2.6088   16.691   1.8303   14.155   2.2399   21.786   3.1750   43.422   3.4893   53.890   3.9796 -10.46886 5.292647 
1 1 1    3    2    6 o  212.006   1.4947  335.105   4.7247  338.745   6.7508  331.611   6.6148  213.143   2.1243  210.887   2.1038 2.256027 2.989722 
1 1 1    3    2    7 o  191.336   1.5534  272.939   4.4315  288.818   6.5384  259.447   6.0270  196.816   2.2281  186.541   2.1670 10.27496 3.108119 
1 1 1    3    2    8 o  532.518   2.3459  2114.30   18.626  2115.07   30.508  2113.84   23.517  532.555   3.8422  532.438   2.9624 0.1169434 4.851610 
1 1 1    3    2    9 o  206.186   1.5553  316.947   4.7812  329.278   7.7264  309.294   6.0866  210.150   2.4659  203.678   2.0043 6.471817 3.177705 
1 1 1    3    2   10 f  138.181   1.9789  142.360   4.0771  146.608   6.0986  138.927   5.4822  140.219   2.9171  136.498   2.6937 3.720352 3.970625 
1 1 1    3    2   11 o  254.804   1.7270  484.063   6.5609  485.326   10.288  483.198   8.5174  255.114   2.7049  254.565   2.2441 0.5485687 3.514566 
1 1 1    3    2   12 o  262.556   1.9514  514.022   7.6389  550.663   16.347  503.786   8.6403  271.653   4.0361  259.920   2.2296 11.73346 4.610983 
1 1 1    3    2   13 o   78.337   2.7582   45.778   3.2216   44.428   5.4434   46.506   3.9967   76.976   4.7663   78.944   3.3956 -1.968437 5.852166 
1 1 1    3    2   14 o  266.325   2.5274  529.161   10.036  552.231   16.219  514.848   12.775  271.917   4.0007  262.634   3.2625 9.282990 5.162255 
1 1 1    3    2   15 o  149.725   2.2092  167.240   4.9317  181.066   10.320  163.148   5.6142  155.621   4.4478  147.865   2.5466 7.756622 5.125243 
1 1 1    3    2   16 o  107.771   2.7939   86.707   4.4893   88.731   11.967   86.375   4.8430  108.305   7.4562  107.551   3.0201 0.7532272 8.044602 
1 1 1    3    2   17 o   62.778   4.0613   29.604   3.7811   36.478   7.6542   27.385   4.3487   69.144   7.5472   60.264   4.8818 8.880070 8.988499 
1 1 1    3    2   18 o   94.019   3.1121   66.066   4.3625   69.723   9.1547   64.991   4.9621   95.978   6.4346   93.213   3.5704 2.764259 7.358804 
1 1 1    3    2   19 o   85.128   3.2533   54.249   4.1292   49.614   8.6960   55.598   4.6919   80.422   7.3329   86.133   3.6535 -5.711800 8.192630 
1 1 1    3    2   20 o   16.631   7.2434  -0.4365   3.3669   1.5501   6.9761  -1.0398   3.8442   25.603   10.766   17.151   7.5944 8.452318 13.17483 
1 1 1    3    2   21 o   57.946   11.699   29.117   9.7592   0.0000   0.0000   29.117   9.7592  ?   ?    57.946   11.699 0.000000 11.69900 
1 1 1    3    2   22 o   23.667   8.2611   4.3170   3.5852   2.7704   9.1069   4.6006   3.9001   27.781   12.006   24.418   8.6098 3.362473 14.77407 
1 1 1    3    3    0 o  693.332   5.4216  3585.18   56.037  3585.18   56.037  3585.18   56.037  693.332   5.4216  693.332   5.4216 0.000000 0.000000 
1 1 1    3    3    1 o  476.248   2.2718  1691.01   16.132  1685.40   22.734  1696.70   22.894  475.435   3.2071  477.026   3.2189 -1.591370 4.543914 
1 1 1    3    3    2 o  608.663   2.7822  2762.25   25.249  2758.04   43.483  2764.39   31.013  608.105   4.7960  608.875   3.4162 -0.7695313 5.888240 
1 1 1    3    3    3 o  532.341   2.1851  2112.89   17.343  2096.81   24.343  2129.47   24.714  530.278   3.0790  534.390   3.1019 -4.112244 4.370538 
1 1 1    3    3    4 o  414.397   1.8533  1280.38   11.451  1276.12   16.155  1284.68   16.234  413.677   2.6192  415.062   2.6232 -1.385498 3.706913 
1 1 1    3    3    5 o  254.102   1.5992  481.410   6.0588  478.859   7.9652  484.913   9.3334  253.414   2.1081  255.000   2.4549 -1.585861 3.235821 
1 1 1    3    3    6 o  422.873   1.9538  1333.30   12.319  1344.35   17.555  1322.57   17.291  424.590   2.7731  421.138   2.7537 3.452209 3.908057 
1 1 1    3    3    7 o  344.346   1.7915  884.036   9.1978  894.766   13.190  873.879   12.833  346.414   2.5537  342.348   2.5141 4.066132 3.583592 
1 1 1    3    3    8 o  351.780   1.9985  922.624   10.482  918.886   16.088  925.382   13.817  351.043   3.0738  352.293   2.6306 -1.249481 4.045750 
1 1 1    3    3    9 o   41.529   4.0242   12.983   2.4605   15.646   3.5670   10.566   3.3985   45.481   5.3633   37.107   6.3723 8.374481 8.328982 
1 1 1    3    3   10 o  292.233   1.7903  636.711   7.8007  637.741   11.618  635.865   10.526  292.453   2.6644  292.028   2.4176 0.4250488 3.597773 
1 1 1    3    3   11 o  461.214   2.0243  1586.06   13.920  1563.33   21.676  1602.02   18.159  457.839   3.1754  463.501   2.6277 -5.661407 4.121649 
1 1 1    3    3   12 o  155.075   1.9356  179.319   4.4753  192.172   8.1382  173.748   5.3582  160.498   3.4009  152.639   2.3544 7.859146 4.136320 
1 1 1    3    3   13 o  206.920   1.7734  319.277   5.4711  313.180   8.5913  323.436   7.0959  204.890   2.8123  208.243   2.2854 -3.353241 3.623862 
1 1 1    3    3   14 o  245.584   2.1330  449.859   7.8103  439.210   14.221  454.459   9.3460  242.500   3.9332  246.808   2.5398 -4.307831 4.681969 
1 1 1    3    3   15 o  127.730   2.3495  121.728   4.4745  126.369   8.9467  120.180   5.1671  129.987   4.6163  126.897   2.7310 3.090462 5.363631 
1 1 1    3    3   16 o  118.889   2.4742  105.492   4.3858  107.486   8.8464  104.842   5.0501  119.803   4.9526  118.500   2.8583 1.302773 5.718198 
1 1 1    3    3   17 o   39.473   6.2094   11.988   3.5337   22.293   7.4238   8.9693   4.0181   53.371   9.6861   33.786   8.0847 19.58518 12.61674 
1 1 1    3    3   18 o  132.866   2.5939  131.846   5.1385  140.112   10.721  129.381   5.8548  136.577   5.2650  131.579   2.9844 4.997467 6.051991 
1 1 1    3    3   19 o  106.133   2.8500   84.254   4.5099  113.754   10.316   77.283   5.0145  122.729   5.6375  101.589   3.3107 21.13966 6.537731 
1 1 1    3    3   20 o  109.312   2.8358   89.564   4.6218  100.203   9.7439   86.475   5.2500  114.681   5.6986  107.312   3.2813 7.369659 6.575780 
1 1 1    3    3   21 o   32.215   8.7470   8.6303   4.3095   11.085   6.5764   6.7831   5.7051   35.967   11.128   29.546   10.414 6.420855 15.24063 
1 1 1    3    3   22 o   16.819   7.2103   0.2884   3.2343   5.4788   6.2441  -1.6148   3.7810   27.529   10.665   16.025   7.2768 11.50358 12.91107 
1 1 1    3    4    0 f  338.315   4.4920  853.890   22.650  853.890   22.650  853.890   22.650  338.315   4.4920  338.315   4.4920 0.000000 0.000000 
1 1 1    3    4    1 f  615.101   3.9868  2821.50   36.563   0.0000   0.0000  2821.50   36.563  ?   ?   615.101   3.9868 0.000000 3.986799 
1 1 1    3    4    2 o   99.071   1.2792   73.173   1.8895   71.740   2.9560   74.163   2.4570   98.093   2.0211   99.738   1.6523 -1.644791 2.610543 
1 1 1    3    4    3 o  563.770   2.4535  2369.94   20.623  2327.08   30.969  2404.10   27.645  558.570   3.7186  567.771   3.2657 -9.200439 4.948976 
1 1 1    3    4    4 o   14.704   5.0648   1.4583   1.3455   3.7660   2.1103  -0.1223   1.7465   22.140   6.1650   12.361   5.2988 9.778915 8.129246 
1 1 1    3    4    5 o  282.045   1.7918  593.129   7.5349  618.987   10.955  569.911   10.380  288.102   2.5503  276.447   2.5184 11.65555 3.584189 
1 1 1    3    4    6 o  219.822   1.6251  360.265   5.3263  380.664   8.4080  346.593   6.8836  225.945   2.4959  215.603   2.1414 10.34206 3.288577 
1 1 1    3    4    7 f  375.203   1.9954  1049.59   11.163  1061.72   17.296  1040.93   14.613  377.339   3.0743  373.637   2.6232 3.701843 4.041313 
1 1 1    3    4    8 o  293.629   1.8835  642.800   8.2458  633.952   12.548  649.524   10.939  291.584   2.8864  295.151   2.4858 -3.567230 3.809268 
1 1 1    3    4    9 o  299.317   1.8244  667.956   8.1421  674.867   11.646  661.347   11.388  300.846   2.5962  297.819   2.5646 3.028046 3.649353 
1 1 1    3    4   10 o  115.890   2.4883  100.142   4.2996  109.508   6.6261   93.330   5.6507  121.174   3.6676  111.869   3.3878 9.305061 4.992842 
1 1 1    3    4   11 f  460.115   2.1319  1578.56   14.625  1597.43   25.640  1569.46   17.806  462.759   3.7162  458.763   2.6033 3.995728 4.537303 
1 1 1    3    4   12 o  158.501   2.0272  187.337   4.7907  188.872   9.8157  186.857   5.4889  159.079   4.1384  158.291   2.3257 0.7882233 4.747186 
1 1 1    3    4   13 o  122.542   2.1584  111.997   3.9436  119.183   6.9242  108.548   4.7977  126.358   3.6753  120.626   2.6676 5.732399 4.541396 
1 1 1    3    4   14 o  230.529   2.0122  396.379   6.9162  401.785   11.498  393.314   8.6576  231.993   3.3240  229.602   2.5290 2.391464 4.176732 
1 1 1    3    4   15 o  222.202   2.0611  368.321   6.8282  360.087   13.839  370.971   7.8504  219.469   4.2291  222.977   2.3614 -3.507736 4.843677 
1 1 1    3    4   16 o   78.744   3.2917   46.321   3.8646   58.569   8.0228   42.620   4.4100   88.109   6.1456   75.397   3.9366 12.71213 7.298273 
1 1 1    3    4   17 o  199.724   2.2193  297.695   6.6088  340.814   14.267  285.914   7.4571  213.343   4.4851  195.698   2.5557 17.64572 5.162140 
1 1 1    3    4   18 o  106.237   3.0037   84.355   4.7577   80.434   9.9114   85.529   5.4234  103.056   6.4835  106.934   3.4016 -3.878395 7.321652 
1 1 1    3    4   19 o   78.615   3.5313   46.324   4.1392   50.276   8.5999   45.132   4.7221   80.914   7.2038   77.417   4.1057 3.496887 8.291674 
1 1 1    3    4   20 o   21.154   8.0197   2.6265   3.4794  -1.5464   6.1637   4.5781   4.2152   21.489   9.5609   25.350   8.9494 -3.860939 13.09589 
1 1 1    3    4   21 o   50.358   5.9559   19.865   4.3853   27.670   6.5835   13.640   5.8795   58.669   7.7132   39.982   9.9122 18.68732 12.55962 
1 1 1    3    4   22 o   59.563   4.0806   27.255   3.6020   28.198   7.2961   26.950   4.1420   57.717   8.7531   58.919   4.7555 -1.202255 9.961531 
1 1 1    3    5    0 o  638.265   7.2372  3040.27   68.852  3040.27   68.852  3040.27   68.852  638.265   7.2372  638.265   7.2372 0.000000 0.000000 
1 1 1    3    5    1 o  613.672   3.0912  2808.24   28.284  2803.21   44.513  2811.64   36.629  612.997   4.8703  613.986   4.0013 -0.9893799 6.303165 
1 1 1    3    5    2 o  289.118   1.6927  623.209   7.2967  613.654   10.184  633.286   10.459  286.879   2.3810  291.431   2.4071 -4.551971 3.385781 
1 1 1    3    5    3 o  221.835   1.5637  366.902   5.1719  354.854   8.9252  372.993   6.3460  218.136   2.7442  223.662   1.9030 -5.526566 3.339497 
1 1 1    3    5    4 o  115.575   1.5973   99.594   2.7525   90.909   3.8647  108.534   3.9212  110.412   2.3477  120.644   2.1799 -10.23178 3.203667 
1 1 1    3    5    5 o   45.471   2.5661   15.468   1.7327   15.626   2.7512   15.364   2.2306   45.582   4.0917   45.264   3.3286 0.3177605 5.274590 
1 1 1    3    5    6 f  368.261   1.9386  1011.12   10.644  1024.53   16.530  1001.61   13.912  370.667   2.9911  366.511   2.5459 4.155945 3.927842 
1 1 1    3    5    7 o  132.968   1.9182  131.818   3.8028  123.737   6.4927  136.037   4.6917  128.815   3.3805  135.076   2.3296 -6.261307 4.105505 
1 1 1    3    5    8 o  287.022   1.8754  614.200   8.0255  598.179   12.105  626.767   10.721  283.238   2.8664  289.934   2.4800 -6.696655 3.790295 
1 1 1    3    5    9 o  256.828   2.0714  491.795   7.9318  493.210   11.286  490.415   11.150  257.180   2.9432  256.451   2.9161 0.7290039 4.143208 
1 1 1    3    5   10 o  422.476   2.4585  1330.87   15.486  1290.60   21.377  1375.34   22.464  415.994   3.4466  429.430   3.5086 -13.43628 4.918240 
1 1 1    3    5   11 o   95.674   2.5089   68.260   3.5789   70.112   5.7472   67.086   4.5739   96.940   3.9763   94.838   3.2347 2.102013 5.125862 
1 1 1    3    5   12 o  287.404   1.9585  615.954   8.3925  619.059   17.063  614.964   9.6390  288.002   3.9737  287.160   2.2513 0.8419189 4.567153 
1 1 1    3    5   13 o  394.879   2.0435  1162.93   12.031  1173.49   20.987  1157.76   14.683  396.495   3.5502  393.958   2.4998 2.536407 4.341948 
1 1 1    3    5   14 o  341.846   2.0956  871.671   10.681  890.518   17.766  861.003   13.366  345.350   3.4503  339.690   2.6390 5.660675 4.343865 
1 1 1    3    5   15 o  180.642   2.1336  243.446   5.7464  254.564   9.7346  237.500   7.1191  184.600   3.5369  178.384   2.6767 6.216019 4.435550 
1 1 1    3    5   16 o   45.559   4.6965   15.704   3.1445   14.743   5.4604   16.181   3.8462   43.393   8.7421   46.092   5.7196 -2.699570 10.44691 
1 1 1    3    5   17 o  218.056   2.2003  354.861   7.1535  367.177   15.014  351.244   8.1364  221.408   4.5481  216.905   2.5159 4.502350 5.197567 
1 1 1    3    5   18 o  198.431   2.4222  294.059   7.1663  315.828   14.557  287.096   8.2330  205.121   4.7600  196.006   2.8172 9.115677 5.531175 
1 1 1    3    5   19 o   35.721   7.0079   10.047   3.5990   16.403   9.5867   9.0046   3.8830   44.612   13.363   33.623   7.8827 10.98898 15.51481 
1 1 1    3    5   20 o   51.455   4.5415   20.197   3.4484   19.131   7.3487   20.498   3.9051   47.850   10.581   51.679   5.1361 -3.828377 11.76198 
1 1 1    3    5   21 o   37.155   6.7265   11.102   3.5891   8.2688   6.4645   12.365   4.3153   31.805   11.093   38.857   7.7207 -7.051483 13.51571 
1 1 1    3    6    0 o   97.252   3.0958   70.735   4.4787   70.735   4.4787   70.735   4.4787   97.252   3.0958   97.252   3.0958 0.000000 0.000000 
1 1 1    3    6    1 o  293.463   1.7035  642.095   7.4534  634.240   10.420  650.325   10.665  291.645   2.3964  295.319   2.4222 -3.674255 3.407302 
1 1 1    3    6    2 o  179.918   1.6494  241.349   4.4247  248.823   7.2474  236.908   5.5867  182.662   2.6611  178.247   2.1021 4.415176 3.391249 
1 1 1    3    6    3 o  211.286   2.7451  332.938   8.6476  332.938   8.6476   0.0000   0.0000  211.286   2.7451  ?   ?  0.000000 2.745071 
1 1 1    3    6    4 o  166.185   1.4518  205.907   3.5973  201.375   5.4464  209.414   4.7911  164.334   2.2228  167.588   1.9175 -3.253479 2.935588 
1 1 1    3    6    5 o  243.795   1.6085  443.131   5.8469  442.614   8.9714  443.513   7.7091  243.637   2.4697  243.892   2.1200 -0.2546082 3.254828 
1 1 1    3    6    6 o  353.257   1.9048  930.393   10.032  941.796   15.567  922.291   13.121  355.391   2.9378  351.703   2.5022 3.687805 3.858930 
1 1 1    3    6    7 o  314.351   2.0176  736.740   9.4563  725.672   16.332  742.321   11.598  311.948   3.5116  315.531   2.4653 -3.583099 4.290541 
1 1 1    3    6    8 o  566.313   2.8346  2391.35   23.934  2426.67   34.419  2358.28   33.303  570.419   4.0471  562.328   3.9722 8.091370 5.670703 
1 1 1    3    6    9 o  376.045   2.2972  1054.36   12.880  1041.94   18.089  1067.13   18.343  373.795   3.2458  378.286   3.2523 -4.490997 4.594825 
1 1 1    3    6   10 o  206.480   2.1535  317.888   6.6296  321.397   9.4967  314.552   9.2591  207.598   3.0682  205.376   3.0238 2.221771 4.307772 
1 1 1    3    6   11 o  372.421   2.1865  1034.25   12.141  1022.17   22.463  1039.23   14.430  370.118   4.0706  373.297   2.5926 -3.178619 4.826125 
1 1 1    3    6   12 o  140.964   2.1024  148.188   4.4186  140.448   7.1974  152.869   5.5976  137.190   3.5187  143.159   2.6225 -5.969299 4.388474 
1 1 1    3    6   13 o  117.958   2.3441  103.791   4.1226  103.684   6.7325  103.856   5.2146  117.837   3.8320  117.974   2.9646 -0.1365738 4.844917 
1 1 1    3    6   14 o   57.412   3.7633   24.726   3.2036   16.192   5.1402   30.147   4.0965   45.786   7.8098   63.358   4.3631 -17.57155 8.945982 
1 1 1    3    6   15 o  226.935   1.9346  384.173   6.5460  379.475   11.417  386.474   7.9895  225.391   3.3975  227.578   2.3546 -2.187424 4.133649 
1 1 1    3    6   16 o  152.874   2.1783  174.395   4.9651  176.475   8.8814  173.450   5.9882  153.620   3.8776  152.425   2.6349 1.195099 4.688153 
1 1 1    3    6   17 o  135.131   2.7231  136.372   5.4863  136.799   8.4581  136.061   7.2085  135.178   4.1966  134.890   3.5842 0.2884979 5.518902 
1 1 1    3    6   18 o   63.762   4.4236   30.646   4.1794   45.931   8.7203   26.088   4.7620   77.398   7.6571   58.614   5.5138 18.78378 9.435734 
1 1 1    3    6   19 o   73.752   3.8908   40.972   4.2633   37.634   11.735   41.480   4.5759   67.785   12.053   74.155   4.1555 -6.369293 12.74917 
1 1 1    3    6   20 o   43.196   5.4306   14.454   3.4203   10.222   7.0379   15.763   3.9135   35.270   11.580   44.964   5.9863 -9.694202 13.03561 
1 1 1    3    6   21 f   19.995   7.9296   2.0441   3.5209  -1.7179   6.7640   3.4423   4.1236   21.862   9.8481   23.007   8.7285 -1.144930 13.15952 
1 1 1    3    7    0 o  128.316   2.9339  122.965   5.6063  122.965   5.6063  122.965   5.6063  128.316   2.9339  128.316   2.9339 0.000000 0.000000 
1 1 1    3    7    2 o  216.587   1.6877  349.763   5.4500  342.693   7.0311  360.406   8.6261  214.374   2.1998  219.831   2.6318 -5.457367 3.430086 
1 1 1    3    7    3 o  260.852   1.8704  507.354   7.2746  489.517   11.342  519.821   9.4820  256.190   2.9692  264.022   2.4087 -7.831970 3.823380 
1 1 1    3    7    4 o  381.385   2.0611  1084.54   11.720  1076.54   16.541  1092.60   16.609  379.942   2.9199  382.766   2.9104 -2.823853 4.122631 
1 1 1    3    7    5 o  180.687   1.6848  243.406   4.5389  237.242   6.3864  249.698   6.4521  178.376   2.4013  182.999   2.3647 -4.623276 3.370217 
1 1 1    3    7    6 o  254.266   1.7186  482.003   6.5152  493.945   10.266  473.951   8.4302  257.382   2.6753  252.126   2.2426 5.255707 3.490923 
1 1 1    3    7    7 o  379.935   2.4240  1076.28   13.732  1087.46   22.028  1069.17   17.561  381.860   3.8690  378.660   3.1105 3.199799 4.964299 
1 1 1    3    7    8 o  100.631   2.4577   75.506   3.6875   76.942   5.1792   74.029   5.2513  101.575   3.4199   99.632   3.5351 1.943108 4.918571 
1 1 1    3    7    9 o  294.764   2.1665  647.820   9.5212  652.736   13.428  642.850   13.502  295.858   3.0441  293.608   3.0844 2.250153 4.333603 
1 1 1    3    7   10 o  389.024   2.6149  1128.56   15.167  1123.49   19.611  1136.10   23.926  388.111   3.3890  390.236   4.1122 -2.125336 5.328775 
1 1 1    3    7   11 o  147.749   2.3422  162.795   5.1596  158.069   7.3340  167.426   7.2601  145.562   3.3793  149.812   3.2503 -4.250305 4.688696 
1 1 1    3    7   12 o  289.522   2.0991  625.135   9.0613  606.271   13.776  639.521   12.030  285.042   3.2415  292.792   2.7557 -7.750122 4.254540 
1 1 1    3    7   13 o   75.471   3.4628   42.523   3.8966   40.044   5.2692   45.515   5.7885   73.026   4.8673   77.860   5.0130 -4.833931 6.987195 
1 1 1    3    7   14 o   39.236   6.0362   11.804   3.4180   9.0659   5.0034   14.200   4.6804   34.141   9.4879   42.835   7.6072 -8.693745 12.16104 
1 1 1    3    7   15 o  148.121   2.4154  163.734   5.3342  157.309   10.158  166.181   6.2680  144.969   4.6996  149.195   2.8178 -4.225677 5.479614 
1 1 1    3    7   16 o   51.756   4.8521   20.244   3.7005   19.454   6.0034   20.727   4.6994   50.072   8.3344   52.163   6.1613 -2.091492 10.36459 
1 1 1    3    7   17 o  189.222   2.8451  267.471   8.0269  277.612   13.439  261.847   10.008  192.438   4.6839  187.109   3.5875 5.329010 5.899939 
1 1 1    3    7   18 f   89.762   3.8076   60.377   5.0958   61.681   9.1808   59.796   6.1262   89.950   6.8981   89.103   4.6272 0.8465652 8.306348 
1 1 1    3    7   19 o  107.190   3.0893   86.112   4.9372   90.260   10.008   84.778   5.6760  108.706   6.2003  106.259   3.5827 2.446205 7.160952 
1 1 1    3    7   20 o   45.935   6.3735   16.574   4.2475   13.646   7.2736   18.089   5.2323   39.841   11.564   47.529   7.6425 -7.687954 13.86118 
1 1 1    3    7   21 o   18.455   7.5258   1.3607   3.2675   7.1625   6.3959  -0.6882   3.8009   30.034   10.970   17.083   7.5585 12.95085 13.32215 
1 1 1    3    8    0 o  282.075   2.9213  593.487   12.283  593.487   12.283  593.487   12.283  282.075   2.9213  282.075   2.9213 0.000000 0.000000 
1 1 1    3    8    1 o  160.163   1.5198  191.260   3.6293  185.675   5.0376  197.286   5.2330  157.798   2.1412  162.656   2.1578 -4.858963 3.039877 
1 1 1    3    8    2 o  149.156   1.5512  165.872   3.4497  165.277   4.8237  166.497   4.9356  148.879   2.1731  149.427   2.2153 -0.5478058 3.103222 
1 1 1    3    8    3 o  374.726   2.2416  1047.04   12.524  1030.60   19.712  1058.16   16.218  371.714   3.5567  376.685   2.8877 -4.970551 4.581335 
1 1 1    3    8    4 o  481.071   2.4168  1725.61   17.335  1720.49   24.453  1730.78   24.579  480.311   3.4145  481.745   3.4220 -1.433624 4.834170 
1 1 1    3    8    5 f  391.264   2.3480  1141.43   13.697  1103.34   20.988  1169.68   18.078  384.639   3.6596  396.056   3.0615 -11.41653 4.771331 
1 1 1    3    8    6 o  559.938   2.5513  2337.73   21.299  2342.80   32.720  2334.00   28.058  560.480   3.9155  559.456   3.3637 1.023804 5.161953 
1 1 1    3    8    7 o  307.792   1.8817  706.309   8.6352  703.148   13.321  708.599   11.341  307.082   2.9095  308.280   2.4673 -1.197693 3.814787 
1 1 1    3    8    8 o  592.319   2.9344  2616.15   25.915  2620.64   36.858  2611.75   36.443  592.751   4.1706  591.748   4.1306 1.003174 5.869856 
1 1 1    3    8    9 o  280.292   2.1402  585.780   8.9441  588.482   12.738  583.152   12.562  280.914   3.0413  279.640   3.0128 1.274231 4.280940 
1 1 1    3    8   10 o  280.405   2.1704  586.291   9.0740  569.688   12.694  603.641   12.976  276.372   3.0805  284.490   3.0592 -8.117401 4.341472 
1 1 1    3    8   11 o  101.109   2.8216   76.256   4.2536   72.043   7.6458   78.144   5.1188   98.068   5.2481  102.342   3.3547 -4.273438 6.228683 
1 1 1    3    8   12 o   44.513   4.8496   14.981   3.1665   14.269   5.8740   15.272   3.7595   42.735   9.4683   44.822   5.7588 -2.087635 11.08203 
1 1 1    3    8   13 o   96.915   2.6935   70.086   3.8921   73.801   6.3551   67.856   4.9234   99.379   4.2890   95.331   3.4639 4.047829 5.513076 
1 1 1    3    8   14 o  163.128   2.2848  198.546   5.5571  200.695   8.4303  196.894   7.3899  163.921   3.4494  162.395   3.0521 1.526016 4.605795 
1 1 1    3    8   15 o  190.992   2.1363  272.182   6.0833  286.175   10.178  264.405   7.5878  195.695   3.4883  188.193   2.7042 7.501724 4.413743 
1 1 1    3    8   16 o  154.447   2.2414  178.028   5.1613  185.835   9.2928  174.545   6.2067  157.609   3.9545  152.887   2.7228 4.721725 4.801267 
1 1 1    3    8   17 o   85.746   3.4078   54.986   4.3567   64.773   7.1929   49.315   5.4753   92.723   5.2242   80.978   4.5534 11.74477 6.930065 
1 1 1    3    8   18 o  120.555   2.6203  108.637   4.7098  122.398   8.9215  103.320   5.5456  127.585   4.6899  117.495   3.1656 10.09008 5.658320 
1 1 1    3    8   19 o  122.461   2.6949  112.307   4.9205  117.051   10.682  111.029   5.5437  124.017   5.7768  121.684   3.0556 2.332878 6.535135 
1 1 1    3    8   20 o   64.063   3.9383   31.170   3.7435   33.335   7.9612   30.555   4.2417   64.190   8.5296   63.238   4.5287 0.9511948 9.657321 
1 1 1    3    8   21 o   38.590   6.1671   11.934   3.4289   13.144   7.3858   11.602   3.8713   37.849   11.807   37.604   7.1665 0.2442131 13.81129 
1 1 1    3    9    0 o   30.320   4.5999   7.3131   1.9377   7.3131   1.9377   7.3131   1.9377   30.320   4.5999   30.320   4.5999 0.000000 0.000000 
1 1 1    3    9    1 o  260.040   1.7085  504.170   6.6239  495.836   9.2098  513.101   9.5339  257.866   2.3954  262.315   2.4377 -4.449829 3.417660 
1 1 1    3    9    2 o   32.502   3.3403   7.9617   1.5956   9.3026   2.1825   6.4219   2.3387   35.054   4.2636   28.836   5.6418 6.218523 7.071636 
1 1 1    3    9    3 o   64.626   2.5963   31.142   2.5016   26.539   3.4722   36.110   3.6073   59.520   3.9349   69.584   3.4770 -10.06327 5.250985 
1 1 1    3    9    4 o  523.889   3.1471  2046.65   24.582  2115.75   50.371  2025.05   28.164  532.425   6.3453  521.093   3.6250 11.33197 7.307724 
1 1 1    3    9    5 o  662.742   3.8328  3275.68   37.873  3296.80   53.818  3254.97   53.306  664.742   5.4300  660.514   5.4128 4.228394 7.667075 
1 1 1    3    9    6 o   40.887   3.7820   12.574   2.2795   10.887   3.5862   13.717   2.9526   37.639   6.6327   42.622   4.7258 -4.982632 8.144099 
1 1 1    3    9    7 o  265.899   1.9826  527.138   7.8600  554.008   14.225  515.329   9.4303  272.558   3.5005  262.897   2.4058 9.661499 4.247530 
1 1 1    3    9    8 o  424.318   2.4002  1342.47   15.185  1347.61   21.608  1337.46   21.343  425.089   3.4093  423.487   3.3802 1.601776 4.800935 
1 1 1    3    9    9 o   65.716   3.7004   32.315   3.6109   34.540   5.1612   30.182   5.0537   67.836   5.1412   63.361   5.4011 4.474930 7.456813 
1 1 1    3    9   10 o  276.180   2.6411  568.857   10.876  557.372   15.141  581.097   15.631  273.323   3.7155  279.077   3.7567 -5.753937 5.283678 
1 1 1    3    9   11 o  134.227   2.2733  134.372   4.5496  138.782   7.0549  131.232   5.9528  136.374   3.4697  132.628   3.0103 3.745117 4.593554 
1 1 1    3    9   12 o  176.483   1.9794  232.293   5.2083  243.317   8.6485  226.020   6.5241  180.557   3.2126  174.060   2.5139 6.497025 4.079261 
1 1 1    3    9   13 o  196.643   2.1041  288.449   6.1691  289.477   9.5476  287.713   8.0830  196.908   3.2521  196.348   2.7611 0.5598907 4.266077 
1 1 1    3    9   14 o   46.925   4.7368   16.645   3.2687   19.974   5.2404   14.524   4.1819   51.069   7.0721   43.483   6.6626 7.586464 9.716223 
1 1 1    3    9   15 o   69.913   3.3523   36.524   3.4944   33.556   5.6607   38.351   4.4418   66.619   5.7556   71.473   4.1864 -4.854568 7.117085 
1 1 1    3    9   16 f   73.217   3.3860   40.072   3.6963   39.672   6.8504   40.236   4.3902   72.321   6.4198   73.214   4.0374 -0.8934402 7.583816 
1 1 1    3    9   17 o  239.632   2.0950  428.650   7.4850  446.848   13.458  420.499   9.0066  244.328   3.6943  237.269   2.5459 7.059219 4.486609 
1 1 1    3    9   18 f  117.515   2.6293  103.263   4.6068  110.988   8.1763   99.670   5.5761  121.473   4.5145  115.362   3.2419 6.111420 5.557934 
1 1 1    3    9   19 f   25.638   8.3342   5.0335   3.6489   5.7316   9.7763   4.9205   3.9332   32.601   13.117   25.667   8.6627 6.934258 15.71957 
1 1 1    3    9   20 o   68.333   4.2691   35.619   4.3277   31.560   7.2832   37.834   5.3806   62.563   7.9905   70.062   5.1877 -7.499180 9.526859 
1 1 1    3    9   21 o   71.099   3.7017   38.574   3.9105   36.788   8.0677   39.122   4.4708   66.455   8.3252   71.359   4.2208 -4.904434 9.334014 
1 1 1    3   10    0 o   52.373   3.3706   20.705   2.6070   20.705   2.6070   20.705   2.6070   52.373   3.3706   52.373   3.3706 0.000000 0.000000 
1 1 1    3   10    1 o  347.646   1.9344  901.093   10.027  915.222   14.560  888.348   13.828  350.337   2.7874  345.159   2.6871 5.178833 3.871699 
1 1 1    3   10    2 o  334.357   1.9419  833.512   9.6807  836.102   13.635  830.879   13.747  334.856   2.7311  333.807   2.7620 1.048492 3.884278 
1 1 1    3   10    3 o  428.649   2.7251  1370.06   17.417  1385.72   24.613  1354.35   24.648  431.047   3.8298  426.137   3.8794 4.910095 5.451339 
1 1 1    3   10    4 o  618.638   2.9452  2853.77   27.165  2832.20   38.091  2876.09   38.753  616.224   4.1458  620.978   4.1856 -4.754517 5.891294 
1 1 1    3   10    5 o  437.629   2.3435  1427.97   15.291  1408.27   21.280  1449.00   21.987  434.569   3.2843  440.807   3.3455 -6.237823 4.688171 
1 1 1    3   10    6 o  433.305   2.3566  1399.89   15.225  1389.63   21.477  1410.26   21.586  431.679   3.3369  434.873   3.3292 -3.193634 4.713632 
1 1 1    3   10    7 o  299.385   2.0457  668.278   9.1317  665.645   13.188  670.703   12.657  298.773   2.9605  299.910   2.8305 -1.136536 4.095863 
1 1 1    3   10    8 o   48.645   4.2851   17.790   3.0762   22.408   4.9413   14.867   3.9308   54.436   6.1987   44.207   6.1286 10.22871 8.716845 
1 1 1    3   10    9 o  114.165   2.3936   97.192   4.0744   98.306   6.2087   96.350   5.3997  114.796   3.6275  113.657   3.1864 1.139374 4.828225 
1 1 1    3   10   10 o  366.880   2.3204  1003.81   12.693  986.571   17.882  1021.31   18.019  363.647   3.2982  369.997   3.2664 -6.349579 4.641944 
1 1 1    3   10   11 o   99.256   2.7179   73.495   4.0222   80.004   7.3958   70.761   4.7930  103.480   4.7936   97.376   3.3013 6.104362 5.820388 
1 1 1    3   10   12 o  182.254   2.2265  247.778   6.0501  252.941   8.7942  243.139   8.3364  184.082   3.2042  180.487   3.0979 3.594666 4.456839 
1 1 1    3   10   13 o  193.771   2.1205  280.104   6.1262  286.547   9.5792  275.646   7.9689  195.892   3.2798  192.175   2.7812 3.717590 4.300214 
1 1 1    3   10   14 o  169.020   2.3983  213.199   6.0437  218.018   8.9601  209.176   8.1864  170.813   3.5182  167.339   3.2811 3.474045 4.810790 
1 1 1    3   10   15 o  223.363   2.2329  372.342   7.4363  361.128   11.360  380.751   9.8369  219.803   3.4664  225.782   2.9221 -5.979660 4.533692 
1 1 1    3   10   16 o   28.103   8.5901   6.0212   3.9324   6.8674   5.7288   5.2673   5.4076   30.910   10.455   28.273   10.120 2.636971 14.55032 
1 1 1    3   10   17 o   94.824   3.4542   67.298   4.8836   70.632   7.4175   64.747   6.4884   96.775   5.1593   92.735   4.7081 4.039452 6.984634 
1 1 1    3   10   18 o   71.465   4.0226   38.499   4.2688   45.555   8.2135   35.888   4.9966   76.856   7.2535   68.804   4.9027 8.051643 8.754993 
1 1 1    3   10   19 o   52.727   5.1456   21.351   3.9936   28.105   11.263   20.380   4.2712   56.435   13.555   51.341   5.6746 5.093990 14.69503 
1 1 1    3   10   20 f   45.992   4.9847   16.403   3.3634   25.316   5.5653   11.274   4.2216   56.442   6.7469   36.946   7.9028 19.49635 10.39109 
1 1 1    3   10   21 o   63.148   4.3492   30.807   4.0699   30.188   7.3823   31.077   4.8781   59.688   8.5385   62.931   5.2468 -3.242588 10.02177 
1 1 1    3   11    0 o  385.343   3.5112  1107.44   20.169  1107.44   20.169  1107.44   20.169  385.343   3.5112  385.343   3.5112 0.000000 0.000000 
1 1 1    3   11    1 o  242.327   1.8090  437.812   6.5358  440.904   10.190  435.651   8.5191  243.164   2.8106  241.720   2.3638 1.444382 3.672460 
1 1 1    3   11    2 o  433.381   3.2045  1400.58   20.706  1406.28   35.697  1397.70   25.419  434.135   5.5149  432.901   3.9383 1.233795 6.776690 
1 1 1    3   11    3 o  112.431   1.8843   94.245   3.1587   88.266   4.2440  101.671   4.7296  108.801   2.6162  116.771   2.7165 -7.969383 3.771491 
1 1 1    3   11    4 o  433.605   2.3151  1401.82   14.967  1404.64   21.159  1399.01   21.173  434.008   3.2699  433.136   3.2786 0.8721313 4.630475 
1 1 1    3   11    5 o  376.871   2.1684  1058.97   12.184  1065.26   17.343  1052.85   17.122  377.962   3.0775  375.756   3.0561 2.206146 4.337186 
1 1 1    3   11    6 o  410.309   2.7987  1255.36   17.121  1289.43   25.227  1226.27   23.313  415.782   4.0693  405.482   3.8561 10.30042 5.606175 
1 1 1    3   11    7 o  102.316   2.5563   78.059   3.8997   71.631   7.2641   80.662   4.6222   97.853   4.9956  104.003   2.9808 -6.149582 5.817285 
1 1 1    3   11    8 o  235.833   1.9067  414.686   6.7044  415.504   10.415  414.107   8.7609  236.038   2.9595  235.654   2.4935 0.3837585 3.869883 
1 1 1    3   11    9 o  262.204   2.2810  512.689   8.9173  507.717   13.926  516.145   11.610  260.870   3.5803  263.058   2.9601 -2.188354 4.645507 
1 1 1    3   11   10 o  241.342   2.1260  434.378   7.6501  429.288   10.969  439.198   10.675  239.876   3.0670  242.635   2.9507 -2.759857 4.255989 
1 1 1    3   11   11 o  376.964   2.3775  1060.02   13.363  1046.98   23.339  1066.37   16.298  374.394   4.1810  378.036   2.8916 -3.642548 5.083536 
1 1 1    3   11   12 o  200.669   2.0473  300.368   6.1252  313.411   9.7238  291.789   7.8866  204.895   3.1830  197.741   2.6750 7.153381 4.157771 
1 1 1    3   11   13 o  137.997   2.3705  142.100   4.8773  140.520   7.4602  143.279   6.4456  137.138   3.6486  138.520   3.1209 -1.381668 4.801261 
1 1 1    3   11   14 o  138.126   2.6468  142.434   5.4509  151.498   9.6578  138.197   6.6031  142.253   4.5535  136.005   3.2563 6.247314 5.598042 
1 1 1    3   11   15 o   79.984   3.3136   47.815   3.9516   49.375   6.7394   46.998   4.8781   80.891   5.6229   79.132   4.1491 1.759041 6.987971 
1 1 1    3   11   16 o   93.900   3.3279   65.932   4.6591   63.103   6.8635   68.350   6.3450   91.545   5.0480   95.490   4.4566 -3.945473 6.733755 
1 1 1    3   11   17 o  196.717   2.6668  289.262   7.8217  286.456   11.103  292.026   11.021  195.488   3.8094  197.398   3.7445 -1.909988 5.341556 
1 1 1    3   11   18 o  117.863   2.7208  104.004   4.7812  107.736   10.085  102.922   5.4303  119.112   5.6788  117.173   3.1083 1.939903 6.473810 
1 1 1    3   11   19 o   58.049   4.5271   25.735   3.8872   2.3993   10.478   29.459   4.1859   30.140   12.951   62.121   4.5510 -31.98086 13.72761 
1 1 1    3   11   20 o   12.284   5.9190  -4.5616   3.2218  -8.1762   4.8458  -1.6979   4.3133   14.212   6.9417   17.243   7.8069 -3.031600 10.44681 
1 1 1    3   12    0 o  720.654   4.7054  3873.28   50.554  3873.28   50.554  3873.28   50.554  720.654   4.7054  720.654   4.7054 0.000000 0.000000 
1 1 1    3   12    1 o  201.270   1.7022  302.018   5.1080  304.447   7.3473  299.746   7.1064  202.068   2.4387  200.503   2.3772 1.565033 3.405604 
1 1 1    3   12    2 o  269.590   2.1150  541.879   8.5012  540.922   13.706  542.477   10.838  269.324   3.4132  269.728   2.6949 -0.4035339 4.348857 
1 1 1    3   12    3 o  149.448   1.8508  166.520   4.1240  169.334   5.6970  163.421   5.9776  150.700   2.5355  148.043   2.7081 2.656647 3.709809 
1 1 1    3   12    4 o  271.913   1.9137  551.250   7.7586  545.744   10.840  557.032   11.109  270.538   2.6874  273.321   2.7261 -2.782837 3.828057 
1 1 1    3   12    5 o   69.200   3.0714   35.709   3.1689   32.566   4.2664   39.577   4.7329   65.931   4.3648   72.708   4.3865 -6.777191 6.188133 
1 1 1    3   12    6 o  294.404   2.2620  646.258   9.9291  647.627   15.892  645.380   12.717  294.675   3.6171  294.187   2.8992 0.4875793 4.635576 
1 1 1    3   12    7 f  144.554   2.4714  155.816   5.3265  153.898   8.7618  156.941   6.7086  143.629   4.0915  145.064   3.1017 -1.434570 5.134251 
1 1 1    3   12    8 o  306.675   1.9852  701.279   9.0773  712.757   14.114  693.181   11.854  309.128   3.0622  304.875   2.6079 4.253113 4.022173 
1 1 1    3   12    9 o  104.651   2.5379   81.682   3.9599   78.038   5.5358   85.501   5.6669  102.264   3.6306  107.045   3.5506 -4.780388 5.078252 
1 1 1    3   12   10 o  221.303   2.1025  365.260   6.9373  352.708   9.7931  377.904   9.8287  217.416   3.0211  225.054   2.9291 -7.637833 4.207916 
1 1 1    3   12   11 o  125.172   2.5915  116.903   4.8365  125.709   7.9213  111.668   6.1070  129.718   4.0957  122.302   3.3491 7.415779 5.290631 
1 1 1    3   12   12 o  114.116   2.3826   97.166   4.0539   93.947   6.2525   99.502   5.3247  112.137   3.7397  115.444   3.0935 -3.307068 4.853377 
1 1 1    3   12   13 o  209.382   2.2722  327.145   7.0935  331.878   10.152  322.630   9.9155  210.787   3.2303  207.833   3.1999 2.953995 4.546829 
1 1 1    3   12   14 o   18.734   7.6024   1.0927   3.3144  -0.5483   5.3314   2.1265   4.2314   21.234   9.1814   22.112   8.7171 -0.8778782 12.66046 
1 1 1    3   12   15 o   78.552   3.5918   46.149   4.2067   33.545   7.5970   51.722   5.0519   66.125   7.8595   83.122   4.0763 -16.99624 8.853713 
1 1 1    3   12   16 o  111.910   2.7386   93.578   4.5694   92.809   7.3611   94.061   5.8283  111.240   4.4382  112.117   3.4866 -0.8768692 5.643944 
1 1 1    3   12   17 o   92.915   3.7681   64.756   5.2200   67.023   7.3762   62.482   7.3883   94.107   5.2783   90.799   5.4832 3.308571 7.610914 
1 1 1    3   12   18 o   40.119   6.0695   12.551   3.5171   7.3467   5.4953   16.162   4.5774   30.787   10.238   45.342   6.9960 -14.55472 12.40036 
1 1 1    3   12   19 o   53.212   4.7441   21.759   3.7243   20.114   10.800   21.982   3.9677   46.433   14.243   53.382   5.0450 -6.948658 15.10967 
1 1 1    3   12   20 o   61.911   4.0032   29.361   3.6754   29.771   5.8737   29.097   4.7119   61.005   6.5608   61.062   5.2259 -0.5681229E-01 8.387709 
1 1 1    3   13    0 o   19.231   9.1048   4.0448   2.9612   4.0448   2.9612   4.0448   2.9612   19.231   9.1048   19.231   9.1048 0.000000 0.000000 
1 1 1    3   13    1 o   62.424   3.2437   29.137   3.0086   33.147   6.0650   27.829   3.4650   66.354   6.2024   60.964   3.8316 5.389732 7.290466 
1 1 1    3   13    2 o  215.316   1.8471  345.650   5.9297  342.188   8.2055  349.434   8.5786  214.225   2.5690  216.479   2.6578 -2.254486 3.696479 
1 1 1    3   13    3 o  239.491   1.8932  427.630   6.7602  435.931   9.5602  419.329   9.5606  241.792   2.6519  237.142   2.7040 4.649826 3.787369 
1 1 1    3   13    4 o  118.701   2.2346  105.055   3.9549  106.947   5.2314  102.532   6.0418  119.758   2.9298  117.254   3.4560 2.504341 4.530717 
1 1 1    3   13    5 o  223.257   1.9781  371.631   6.5845  374.258   9.4534  369.156   9.1765  224.029   2.8302  222.498   2.7662 1.530899 3.957502 
1 1 1    3   13    6 o   46.776   4.5670   16.481   3.1445   21.053   4.5280   12.222   4.3701   52.781   5.8523   39.776   7.6466 13.00450 9.629111 
1 1 1    3   13    7 o  457.025   2.5010  1557.62   17.042  1592.01   24.692  1526.35   23.551  461.961   3.5849  452.342   3.4920 9.618988 5.004525 
1 1 1    3   13    8 o   82.830   3.1075   51.181   3.8377   58.621   6.0709   46.229   4.9527   88.492   4.6173   78.585   4.2428 9.906815 6.270623 
1 1 1    3   13    9 o  412.188   2.4267  1267.24   14.913  1249.05   20.897  1286.14   21.290  409.111   3.4259  415.139   3.4396 -6.028290 4.854647 
1 1 1    3   13   10 o  270.605   1.9833  546.150   8.0019  544.792   12.299  547.147   10.537  270.183   3.0531  270.807   2.6097 -0.6231995 4.016438 
1 1 1    3   13   11 o   98.549   2.5153   72.467   3.6959   70.770   5.8406   73.601   4.7731   97.319   4.0252   99.287   3.2243 -1.968674 5.157375 
1 1 1    3   13   12 o   59.584   3.5880   26.621   3.1726   32.907   4.9880   22.351   4.1115   66.095   5.1011   54.393   5.1303 11.70206 7.234745 
1 1 1    3   13   13 f  104.912   3.4795   82.260   5.4427   88.211   7.8554   76.766   7.5482  108.511   4.8553  101.212   5.0020 7.299400 6.970931 
1 1 1    3   13   14 o   23.733   8.1032   3.9342   3.4419   1.8665   5.3822   5.3650   4.4770   23.862   9.6864   27.414   9.2423 -3.552265 13.38827 
1 1 1    3   13   15 o  119.002   3.0628  105.843   5.4343  102.554   9.8192  107.296   6.5246  116.782   5.6393  119.751   3.6543 -2.969353 6.719828 
1 1 1    3   13   16 o  119.863   2.6769  107.374   4.7840  117.953   8.1761  101.866   5.8992  125.366   4.3742  116.660   3.3916 8.706749 5.535009 
1 1 1    3   13   17 o   57.304   4.8272   24.939   4.0859   24.936   6.5323   24.941   5.2368   56.424   7.9881   56.951   6.2712 -0.5272102 10.15569 
1 1 1    3   13   18 o   47.513   4.9290   17.328   3.4409   15.804   5.6596   18.222   4.3339   43.979   8.9360   48.363   6.1494 -4.383980 10.84740 
1 1 1    3   13   19 o   31.426   7.6479   8.1587   3.5495   7.7538   5.6183   8.4277   4.5792   30.669   10.353   31.619   9.1748 -0.9503498 13.83368 
1 1 1    3   13   20 o   51.930   4.3240   20.858   3.3174   18.173   5.4619   22.428   4.1760   46.365   8.2010   53.380   5.3178 -7.014301 9.774227 
1 1 1    3   14    0 o  767.573   6.2094  4395.58   71.052  4395.58   71.052  4395.58   71.052  767.573   6.2094  767.573   6.2094 0.000000 0.000000 
1 1 1    3   14    1 o  625.819   3.7187  2920.92   34.698  2990.16   50.690  2859.88   47.598  633.048   5.3705  619.125   5.1563 13.92328 7.445096 
1 1 1    3   14    2 o  358.894   2.2902  960.383   12.255  955.253   15.953  967.768   19.140  357.914   2.9895  360.229   3.5637 -2.315857 4.651564 
1 1 1    3   14    3 o  210.713   1.9495  331.041   6.1247  328.423   8.3915  334.025   8.9596  209.866   2.6818  211.645   2.8393 -1.779205 3.905593 
1 1 1    3   14    4 o  310.307   2.3233  717.980   10.749  733.994   13.651  691.853   17.437  313.730   2.9184  304.554   3.8401 9.175323 4.823193 
1 1 1    3   14    5 o   54.358   4.3841   22.189   3.5229   21.768   5.7558   22.441   4.4548   53.465   7.4205   54.548   5.5551 -1.082531 9.269425 
1 1 1    3   14    6 o  141.734   2.1760  149.795   4.5984  154.480   6.5097  145.128   6.4966  143.916   3.0338  139.490   3.1237 4.426102 4.354475 
1 1 1    3   14    7 o  132.989   2.4137  131.899   4.7859  128.323   7.3759  134.499   6.2896  131.138   3.7724  134.276   3.1417 -3.138062 4.909285 
1 1 1    3   14    8 o  205.277   2.2700  314.275   6.9478  315.995   9.0266  311.775   10.883  205.807   2.9417  204.392   3.5712 1.414429 4.626734 
1 1 1    3   14    9 o  192.295   1.9500  275.777   5.5909  273.985   8.6633  277.056   7.3191  191.613   3.0324  192.712   2.5473 -1.099075 3.960330 
1 1 1    3   14   10 o  154.363   2.1682  177.749   4.9902  174.306   7.2206  180.897   6.9045  152.805   3.1693  155.680   2.9746 -2.875168 4.346596 
1 1 1    3   14   11 o  176.259   2.2062  231.787   5.7978  228.473   10.469  233.252   6.9632  174.833   4.0160  176.785   2.6418 -1.951538 4.807003 
1 1 1    3   14   12 o  101.768   2.6109   77.311   3.9617   80.374   6.2440   75.248   5.1254  103.668   4.0397  100.353   3.4255 3.315163 5.296546 
1 1 1    3   14   14 o  132.083   2.5563  130.279   5.0342  131.145   7.7434  129.645   6.6254  132.369   3.9235  131.679   3.3746 0.6907501 5.175126 
1 1 1    3   14   15 o   58.760   5.0046   26.120   4.3428   44.328   12.785   23.745   4.6173   74.722   11.873   55.896   5.6164 18.82590 13.13394 
1 1 1    3   14   16 f   39.773   6.7152   12.322   3.8404   18.712   6.5096   8.9103   4.7563   48.496   9.3417   33.463   9.2324 15.03310 13.13408 
1 1 1    3   14   17 o  131.769   2.8773  130.092   5.6529  142.445   10.432  124.956   6.7261  137.150   5.1014  128.988   3.4974 8.161652 6.185105 
1 1 1    3   14   18 o   53.882   4.5005   22.202   3.5824   24.468   6.2435   21.089   4.3741   55.281   7.7911   52.103   5.7250 3.177441 9.668344 
1 1 1    3   14   19 o   19.094   7.4986   1.9775   3.1200   0.2482   4.7501   3.2896   4.1376   19.944   8.6449   22.674   8.7096 -2.730373 12.27161 
1 1 1    3   14   20 o   59.817   4.1109   27.647   3.6441   26.891   5.8750   28.120   4.6457   57.117   7.0483   59.662   5.2770 -2.545731 8.804834 
1 1 1    3   15    0 o  435.992   4.3528  1417.97   28.289  1417.97   28.289  1417.97   28.289  435.992   4.3528  435.992   4.3528 0.000000 0.000000 
1 1 1    3   15    1 o  172.956   2.2112  223.046   5.7022  219.307   7.1345  229.660   9.4877  171.491   2.7903  175.474   3.6264 -3.983383 4.575677 
1 1 1    3   15    2 o  125.798   2.2431  117.998   4.2072  117.935   5.6920  118.073   6.2464  125.754   3.0358  125.823   3.3297 -0.6867981E-01 4.505854 
1 1 1    3   15    3 o  323.351   2.1194  779.599   10.218  783.080   14.259  775.925   14.649  324.043   2.9514  322.555   3.0460 1.487701 4.241307 
1 1 1    3   15    4 o  252.217   2.0125  474.323   7.5681  457.573   10.275  494.184   11.189  247.702   2.7822  257.416   2.9153 -9.714127 4.029814 
1 1 1    3   15    5 o  286.424   2.2842  611.769   9.7548  603.596   15.522  617.103   12.541  284.439   3.6601  287.643   2.9241 -3.204254 4.684743 
1 1 1    3   15    6 o  102.577   2.6377   78.478   4.0341   80.408   6.2011   77.062   5.3117  103.799   4.0069  101.629   3.5054 2.169701 5.323849 
1 1 1    3   15    7 o  145.417   2.1782  157.705   4.7225  167.518   6.8422  148.777   6.5263  149.844   3.0626  141.212   3.0997 8.631836 4.357492 
1 1 1    3   15    8 o   35.010   5.9600   9.4258   2.9996   9.8723   4.2742   8.9926   4.2106   35.560   8.2254   33.939   8.3727 1.620926 11.73706 
1 1 1    3   15    9 o  271.046   1.9699  547.960   7.9607  547.513   12.300  548.282   10.443  270.839   3.0460  271.076   2.5837 -0.2364502 3.994237 
1 1 1    3   15   10 o  116.001   2.2659  100.395   3.9190   98.642   6.0761  101.645   5.1283  114.915   3.5463  116.687   2.9477 -1.771797 4.611402 
1 1 1    3   15   11 o  117.001   2.5534  102.176   4.4542   89.092   7.8241  108.450   5.4179  109.084   4.8106  120.511   3.0153 -11.42619 5.677507 
1 1 1    3   15   12 o  124.961   2.5448  116.576   4.7413  116.802   8.3335  116.468   5.7654  124.895   4.4752  124.860   3.0970 0.3505707E-01 5.442277 
1 1 1    3   15   13 o   68.196   3.9738   34.926   4.0229   27.826   5.7065   41.941   5.6723   60.448   6.4304   74.584   5.1320 -14.13639 8.227224 
1 1 1    3   15   14 o  135.880   2.3981  137.865   4.8585  142.179   7.9513  135.295   6.1374  137.809   3.8698  134.538   3.0596 3.271271 4.933253 
1 1 1    3   15   15 o   45.505   5.8192   15.864   3.8577   5.5058   7.2935   19.888   4.5456   30.612   11.610   50.970   6.1029 -20.35796 13.11604 
1 1 1    3   15   16 o   95.532   3.2983   68.397   4.6979   74.781   7.4123   64.110   6.0737   99.426   5.0163   92.298   4.4136 7.127724 6.681523 
1 1 1    3   15   17 o   72.940   3.5076   40.023   3.8146   34.170   6.2013   43.586   4.8382   66.448   6.3361   75.831   4.2969 -9.382675 7.655684 
1 1 1    3   15   18 f  130.017   2.4832  126.888   4.8137  128.172   8.0429  126.171   6.0087  129.878   4.1534  129.396   3.1145 0.4821777 5.191430 
1 1 1    3   15   19 o   33.934   6.8627   9.4838   3.3528   9.8682   5.6402   9.2737   4.1695   33.279   10.307   32.879   8.4572 0.3995171 13.33257 
1 1 1    3   16    0 o   37.093   9.0095   11.915   4.3179   11.915   4.3179   11.915   4.3179   37.093   9.0095   37.093   9.0095 0.000000 0.000000 
1 1 1    3   16    1 o  113.454   2.6139   95.989   4.4217  102.150   6.5711   90.891   5.9774  117.018   3.7663  110.384   3.6319 6.634262 5.232202 
1 1 1    3   16    2 o  329.276   2.0999  808.456   10.309  804.927   14.541  812.022   14.618  328.520   2.9686  329.964   2.9714 -1.444580 4.200212 
1 1 1    3   16    3 o  295.084   2.3687  649.331   10.422  678.274   17.327  632.925   13.045  301.512   3.8543  291.305   3.0035 10.20688 4.886358 
1 1 1    3   16    4 o   69.582   3.5419   36.216   3.6624   39.866   5.7118   33.668   4.7726   72.872   5.2931   66.982   4.8109 5.890213 7.152780 
1 1 1    3   16    5 o  177.594   2.1668  235.204   5.7374  233.102   8.5692  236.913   7.7242  176.760   3.2515  178.213   2.9070 -1.452896 4.361515 
1 1 1    3   16    6 o  303.320   2.1139  686.139   9.5601  682.817   13.490  689.490   13.550  302.525   2.9908  304.000   2.9895 -1.474731 4.228687 
1 1 1    3   16    7 o  113.393   2.3992   95.913   4.0562   94.285   5.7378   97.540   5.7350  112.390   3.4241  114.316   3.3648 -1.926109 4.800635 
1 1 1    3   16    8 o  304.652   2.1534  692.327   9.7815  678.039   13.666  707.337   14.007  301.401   3.0410  307.843   3.0517 -6.441498 4.308213 
1 1 1    3   16    9 o   22.610   7.2358   3.7526   2.7582  -1.5270   4.1676   7.8672   3.6792   17.715   7.8726   31.713   7.8284 -13.99843 11.10233 
1 1 1    3   16   10 o  103.380   2.6176   79.772   4.0347   68.335   7.0763   85.281   4.9111   95.397   4.9925  106.864   3.0823 -11.46734 5.867346 
1 1 1    3   16   11 o  127.033   2.2902  120.437   4.3378  119.923   6.7675  120.796   5.6514  126.659   3.5836  127.173   2.9805 -0.5136795 4.661092 
1 1 1    3   16   12 o   58.241   3.7712   25.481   3.2572   27.573   4.9828   23.921   4.3041   60.329   5.6036   56.224   5.1932 4.105160 7.639996 
1 1 1    3   16   13 o   79.110   3.2002   46.788   3.7747   45.897   5.7982   47.444   4.9728   78.035   5.0100   79.470   4.2119 -1.435104 6.545259 
1 1 1    3   16   14 o   33.020   7.8338   8.6114   3.7986   7.6698   5.4858   9.4787   5.2651   31.831   10.206   34.649   9.7699 -2.817905 14.12883 
1 1 1    3   16   15 o   54.424   4.9918   22.490   4.0054   32.385   7.8095   18.958   4.6659   64.509   8.3129   49.606   6.4619 14.90261 10.52908 
1 1 1    3   16   16 o  107.562   2.8402   86.662   4.5550   84.188   7.5395   88.084   5.7161  105.555   4.7907  108.299   3.5400 -2.744560 5.956675 
1 1 1    3   16   17 o   74.628   3.4038   41.954   3.7873   35.807   6.1393   45.731   4.8121   67.911   6.1293   77.605   4.1742 -9.694191 7.415684 
1 1 1    3   16   18 o   55.253   4.5411   23.517   3.7079   26.261   5.8745   21.699   4.7806   57.184   7.0386   52.317   6.2526 4.867630 9.414766 
1 1 1    3   16   19 o   74.903   3.4262   42.714   3.8263   43.332   6.3150   42.355   4.8097   73.854   5.7811   73.986   4.3796 -0.1324310 7.252771 
1 1 1    3   17    0 o   60.447   5.2228   27.864   4.6262   27.864   4.6262   27.864   4.6262   60.447   5.2228   60.447   5.2228 0.000000 0.000000 
1 1 1    3   17    1 o  226.943   2.0124  384.049   6.8092  390.185   9.5666  377.748   9.6939  228.721   2.8053  225.043   2.8891 3.678238 4.026987 
1 1 1    3   17    2 o  123.395   2.2460  113.548   4.1321  115.321   5.7422  111.644   5.9507  124.335   3.0975  122.333   3.2625 2.002258 4.498735 
1 1 1    3   17    3 o  387.077   2.8328  1117.60   16.349  1134.16   22.158  1097.82   24.221  389.841   3.8121  383.497   4.2360 6.344055 5.698733 
1 1 1    3   17    4 o  230.911   2.1912  397.649   7.5441  415.951   11.595  384.214   9.9345  236.106   3.2937  226.941   2.9360 9.165421 4.412345 
1 1 1    3   17    5 o   98.415   2.5524   72.249   3.7453   74.684   5.2006   69.626   5.3983  100.033   3.4869   96.577   3.7490 3.455162 5.119884 
1 1 1    3   17    6 o  134.565   2.6537  135.097   5.3243  126.554   7.9180  142.148   7.1934  130.170   4.0797  137.991   3.4963 -7.821045 5.372952 
1 1 1    3   17    7 o   85.960   3.0307   55.153   3.8843   53.482   4.9479   57.835   6.2705   84.613   3.9220   87.814   4.8075 -3.200516 6.204414 
1 1 1    3   17    8 f  126.566   2.4327  119.531   4.5907  118.081   6.0929  121.434   6.9822  125.750   3.2497  127.494   3.6731 -1.743675 4.904287 
1 1 1    3   17    9 o  152.488   2.2251  173.500   5.0588  168.479   7.1887  178.426   7.1203  150.192   3.2102  154.573   3.0895 -4.380905 4.455421 
1 1 1    3   17   10 o   54.646   4.1055   22.465   3.3206   26.373   6.0422   20.774   3.9745   58.767   7.0358   52.394   5.1545 6.373013 8.721875 
1 1 1    3   17   11 o  115.421   2.5240   99.467   4.3436  103.091   7.6184   97.722   5.2871  117.324   4.3552  114.358   3.1008 2.965797 5.346262 
1 1 1    3   17   12 o  156.460   2.2141  182.740   5.1649  185.429   8.0899  180.890   6.7106  157.456   3.4460  155.592   2.8927 1.864044 4.499167 
1 1 1    3   17   13 o   65.796   3.8402   32.527   3.7509   40.962   5.8454   26.623   4.8907   73.614   5.3626   59.220   5.6057 14.39421 7.757689 
1 1 1    3   17   14 o   95.140   3.0962   67.718   4.3920   67.502   7.0952   67.851   5.5921   94.581   5.0497   95.130   3.9427 -0.5483780 6.406550 
1 1 1    3   17   15 o  116.219   2.7070  101.062   4.6907  102.539   7.8546  100.243   5.8481  116.687   4.5148  115.627   3.3922 1.059715 5.647123 
1 1 1    3   17   16 o   34.936   6.7847   9.6985   3.4067   8.4112   5.5672   10.469   4.3073   32.359   10.272   35.931   8.2185 -3.572044 13.15516 
1 1 1    3   17   17 o   67.240   3.6848   34.307   3.6801   34.875   6.1165   33.985   4.6073   66.736   6.2188   66.570   4.6715 0.1659775 7.777901 
1 1 1    3   17   18 o   17.871   7.2613   1.3727   3.0279   6.8646   4.9446  -1.9222   3.8300   28.589   9.7125   15.843   7.2440 12.74628 12.11650 
1 1 1    3   17   19 o   10.693   5.2734  -5.9892   3.0154  -8.5652   4.6836  -4.1654   3.9408   13.407   6.6040   14.141   6.7417 -0.7338610 9.437317 
1 1 1    3   18    0 o  308.769   3.4310  711.306   15.791  711.306   15.791  711.306   15.791  308.769   3.4310  308.769   3.4310 0.000000 0.000000 
1 1 1    3   18    1 o  185.702   2.2619  257.194   6.2625  255.055   8.5797  259.632   9.1621  184.892   3.1123  186.534   3.2943 -1.642181 4.532007 
1 1 1    3   18    2 o  188.764   2.0027  265.727   5.6363  272.810   8.1253  259.157   7.8251  191.229   2.8498  186.383   2.8159 4.845047 4.006306 
1 1 1    3   18    3 o  102.436   3.3919   78.313   5.1805   73.221   6.3166   88.776   9.0544   99.017   4.2786  108.817   5.5997 -9.800171 7.047226 
1 1 1    3   18    4 o   57.830   3.8818   25.084   3.3276   22.454   4.1291   29.956   5.6202   54.565   5.1359   62.977   6.0603 -8.412262 7.943838 
1 1 1    3   18    5 o  151.641   2.1399  171.522   4.8381  161.325   6.5328  183.908   7.1999  147.026   2.9801  156.974   3.0763 -9.948029 4.283100 
1 1 1    3   18    6 o   14.838   7.0118  -4.7240   4.0825   0.0000   0.0000  -4.7240   4.0825  ?   ?    14.838   7.0118 0.000000 7.011820 
1 1 1    3   18    7 o  200.308   2.4572  299.409   7.3386  298.191   8.6868  302.446   13.715  199.860   2.9152  201.077   4.5747 -1.217285 5.424557 
1 1 1    3   18    8 o  194.294   2.3669  281.715   6.8567  288.993   8.7763  270.313   10.985  196.727   2.9921  190.156   3.8746 6.570694 4.895411 
1 1 1    3   18    9 o  135.383   2.3717  136.799   4.7874  135.291   6.8094  138.274   6.7321  134.550   3.3943  136.033   3.3192 -1.482407 4.747506 
1 1 1    3   18   10 o  108.699   2.4183   88.208   3.9193   78.131   6.0267   95.594   5.1592  102.180   3.9559  113.110   3.0592 -10.92989 5.000781 
1 1 1    3   18   11 o   64.441   3.5717   31.160   3.4182   36.532   5.6647   28.084   4.2866   69.501   5.5118   61.007   4.7501 8.493343 7.276213 
1 1 1    3   18   12 o   90.479   3.1901   61.217   4.3035   64.124   6.1862   58.491   5.9906   92.463   4.4873   88.182   4.5721 4.280464 6.406221 
1 1 1    3   18   13 o  190.348   2.4452  270.670   6.9395  259.894   10.016  280.618   9.6236  186.294   3.6060  193.643   3.3332 -7.348724 4.910574 
1 1 1    3   18   14 o   78.975   3.4803   46.747   4.0981   50.359   6.4259   44.271   5.3204   81.513   5.3165   76.550   4.6841 4.962349 7.085566 
1 1 1    3   18   15 o  113.276   2.7121   96.093   4.5806  112.607   7.7898   87.365   5.6631  122.213   4.2750  107.842   3.5221 14.37163 5.539003 
1 1 1    3   18   16 o   16.818   7.1892   0.1534   3.1985  -1.3348   5.2909   1.0106   4.0154   19.831   8.8382   19.701   8.2178 0.1296692 12.06837 
1 1 1    3   18   17 o   74.801   3.6631   42.457   4.0853   45.019   6.3183   40.616   5.3553   75.948   5.6197   72.467   4.9869 3.480476 7.513271 
1 1 1    3   18   18 o  102.593   2.7895   79.574   4.2669   78.665   7.1799   80.071   5.3055  100.653   4.7843  102.522   3.4709 -1.869110 5.910722 
1 1 1    3   19    0 f   17.082   10.142   2.3776   4.4979   2.3776   4.4979   2.3776   4.4979   17.082   10.142   17.082   10.142 0.000000 0.000000 
1 1 1    3   19    1 o  261.483   2.5102  510.080   9.7863  518.352   13.743  501.570   13.939  263.506   3.4979  259.194   3.6070 4.311920 5.024531 
1 1 1    3   19    2 o  115.885   2.8815  100.213   4.9788   90.686   6.4821  113.921   7.7750  110.191   3.9455  123.487   4.2229 -13.29552 5.779215 
1 1 1    3   19    3 o   91.967   2.6687   63.110   3.6594   62.711   4.8364   63.643   5.5967   91.644   3.5395   92.299   4.0669 -0.6551208 5.391496 
1 1 1    3   19    4 o  155.322   2.2937  179.980   5.3117  187.012   7.6678  173.494   7.3651  158.268   3.2494  152.441   3.2405 5.826813 4.589063 
1 1 1    3   19    5 o   92.480   2.7149   63.831   3.7434   65.273   5.0138   62.014   5.6269   93.478   3.5974   91.085   4.1434 2.393524 5.487159 
1 1 1    3   19    6 o  111.443   2.6279   92.697   4.3664  104.323   6.4415   82.814   5.9392  118.158   3.6564  105.267   3.7841 12.89145 5.261989 
1 1 1    3   19    7 o  205.485   2.1076  315.045   6.4570  321.973   9.0935  308.000   9.1701  207.648   2.9372  203.081   3.0286 4.566711 4.218932 
1 1 1    3   19    8 o   57.480   4.4070   24.878   3.7481   25.000   4.5647   24.625   6.5664   57.480   5.3892   56.543   8.0132 0.9373283 9.656887 
1 1 1    3   19    9 o  193.377   2.1727  279.098   6.2642  287.256   9.0564  271.614   8.6739  196.065   3.0980  190.659   3.0513 5.406311 4.348354 
1 1 1    3   19   10 o   63.214   3.4777   29.980   3.2652   29.227   5.1525   30.485   4.2209   62.093   5.6266   63.615   4.4787 -1.522537 7.191463 
1 1 1    3   19   11 o   50.063   4.4620   18.945   3.2957   26.240   5.1944   14.030   4.2637   58.705   6.0198   42.537   6.9639 16.16793 9.205136 
1 1 1    3   19   12 o   49.094   5.6649   18.397   4.0705   18.994   5.5330   17.692   6.0096   49.413   7.7664   47.382   8.8316 2.031105 11.76068 
1 1 1    3   19   13 o   30.550   7.9735   7.4002   3.6706   6.8075   5.9614   7.7621   4.6583   30.766   10.657   31.428   9.2925 -0.6614265 14.13968 
1 1 1    3   19   14 f  105.818   3.2000   83.946   5.0487   86.681   9.3340   82.815   6.0026  106.664   5.8921  104.975   3.8351 1.689323 7.030252 
1 1 1    3   19   15 o   46.252   5.4075   16.519   3.6587   14.483   5.4781   18.159   4.9157   42.052   9.0084   47.962   7.0877 -5.909840 11.46244 
1 1 1    3   19   16 o   24.177   8.5956   4.3121   3.8949   7.1971   5.3711   1.1124   5.6565   29.778   10.123   22.521   9.5918 7.257292 13.94538 
1 1 1    3   19   17 o   17.896   7.3503   1.2492   3.1450  -8.2109   5.0029   7.4304   4.0440   14.422   7.0462   29.428   8.6459 -15.00681 11.15349 
1 1 1    3   19   18 o   34.006   7.5633   9.9761   3.7356   6.0869   8.7871   10.834   4.1271   28.617   12.060   35.179   8.0436 -6.561388 14.49672 
1 1 1    3   20    0 o  240.489   2.9016  431.567   10.401  431.567   10.401  431.567   10.401  240.489   2.9016  240.489   2.9016 0.000000 0.000000 
1 1 1    3   20    1 o  283.922   2.3015  601.423   9.7426  605.747   12.561  594.893   15.436  284.868   2.9574  282.205   3.6685 2.662476 4.712105 
1 1 1    3   20    2 o   62.859   3.6883   29.619   3.4416   29.945   4.1223   28.869   6.2521   63.132   4.4072   61.623   6.9247 1.508476 8.208179 
1 1 1    3   20    3 o  100.207   2.6042   74.940   3.8908   72.294   5.0840   78.680   6.0445   98.380   3.4660  102.603   3.9512 -4.223030 5.256010 
1 1 1    3   20    4 o  261.258   2.2285  509.280   8.6807  504.192   11.133  517.169   13.864  259.874   2.8733  263.100   3.5343 -3.225586 4.554879 
1 1 1    3   20    5 o   88.548   2.7991   58.539   3.6955   59.896   4.9834   56.881   5.5082   89.517   3.7338   87.202   4.2366 2.315086 5.647121 
1 1 1    3   20    6 o   39.309   5.6734   11.831   3.2288   8.8757   3.9943   17.402   5.4847   33.616   8.0713   47.364   8.0552 -13.74745 11.40315 
1 1 1    3   20    7 o   42.809   4.7896   13.902   3.0047   13.109   4.1422   14.784   4.3650   41.149   7.0025   43.775   6.9178 -2.626247 9.843283 
1 1 1    3   20    8 o   69.270   3.3430   35.874   3.4526   37.994   4.8170   33.633   4.9513   71.055   4.5711   66.769   5.0102 4.286163 6.782110 
1 1 1    3   20    9 o  132.505   2.4577  131.116   4.8556  139.236   7.1807  124.274   6.5908  136.421   3.5303  128.896   3.4295 7.525085 4.921829 
1 1 1    3   20   10 o   60.459   4.0918   27.516   3.6667   31.974   6.8131   25.699   4.3505   64.587   7.1975   58.265   5.0582 6.321865 8.797150 
1 1 1    3   20   11 o  199.057   2.1684  295.865   6.4356  296.358   10.147  295.532   8.3241  198.986   3.4201  198.837   2.8078 0.1483154 4.425014 
1 1 1    3   20   12 o  103.579   3.1649   80.300   4.8877   83.002   6.8445   77.489   6.9822  105.119   4.3671  101.524   4.6127 3.594978 6.352027 
1 1 1    3   20   13 o  117.287   2.7586  102.948   4.8240  103.189   7.6031  102.786   6.2411  117.087   4.3552  117.041   3.5764 0.4666138E-01 5.635487 
1 1 1    3   20   14 o   28.249   8.5279   6.3368   3.8931   4.6963   7.3481   6.9770   4.5903   29.110   11.484   29.688   9.3154 -0.5771828 14.78691 
1 1 1    3   20   15 o   57.717   4.3628   25.449   3.7267   25.478   5.7001   25.428   4.9250   56.760   6.8758   57.145   5.8634 -0.3855705 9.036415 
1 1 1    3   20   16 o   24.235   8.5032   4.5315   3.8008   1.7368   5.0094   8.3228   5.8347   21.888   9.1584   31.163   10.551 -9.275171 13.97121 
1 1 1    3   20   17 o   14.592   6.6088  -1.2015   3.0942   0.6033   4.6553  -2.6297   4.1413   19.710   8.5509   15.786   7.3298 3.924415 11.26247 
1 1 1    3   21    0 f  197.546   2.9353  291.311   8.6414  291.311   8.6414  291.311   8.6414  197.546   2.9353  197.546   2.9353 0.000000 0.000000 
1 1 1    3   21    1 o  138.586   2.2382  143.314   4.6249  145.097   6.3949  141.359   6.6966  139.388   3.0771  137.565   3.2649 1.822250 4.486448 
1 1 1    3   21    2 o  103.457   2.4802   79.887   3.8258   72.982   5.1684   88.258   5.6902   98.827   3.5076  108.678   3.5117 -9.851540 4.963374 
1 1 1    3   21    3 f  148.901   2.1703  165.441   4.8181  154.162   6.4500  179.681   7.2472  143.673   3.0110  155.097   3.1340 -11.42465 4.346054 
1 1 1    3   21    4 o  117.940   2.4838  103.831   4.3677  102.027   5.7415  106.310   6.7289  116.852   3.2955  119.236   3.7850 -2.383530 5.018622 
1 1 1    3   21    5 o  107.700   2.9207   86.639   4.6900   79.471   7.1697   92.000   6.2006  102.993   4.6690  110.912   3.7496 -7.919411 5.988276 
1 1 1    3   21    6 o  118.122   2.5083  104.179   4.4175  108.225   5.9535   99.224   6.5892  120.324   3.3186  115.159   3.8377 5.165123 5.073527 
1 1 1    3   21    7 o  122.122   2.4587  111.363   4.4769  111.745   6.1456  110.932   6.5348  122.242   3.3719  121.771   3.5993 0.4715042 4.932016 
1 1 1    3   21    8 o   61.086   3.8419   28.050   3.4812   29.865   4.9555   26.281   4.8915   62.804   5.3429   58.831   5.6459 3.973724 7.773232 
1 1 1    3   21    9 o   68.488   3.9869   35.267   4.0536   31.049   6.4175   38.067   5.2288   63.696   6.8660   71.003   4.9705 -7.307602 8.476325 
1 1 1    3   21   10 o   45.249   5.9971   15.715   3.9462   16.362   6.5670   15.349   4.9370   45.230   10.003   44.302   7.7570 0.9281502 12.65859 
1 1 1    3   21   11 o  129.216   2.5229  124.788   4.8606  117.925   7.3451  130.134   6.4830  125.387   3.9289  131.837   3.2982 -6.450127 5.129758 
1 1 1    3   21   12 o   65.669   4.4303   32.600   4.3124   30.801   6.0958   34.403   6.1014   63.299   6.5539   67.043   6.1732 -3.743484 9.003463 
1 1 1    3   21   13 o   15.625   7.0552  -1.6728   3.4955   6.9537   5.8225  -6.5339   4.3708   30.474   10.534   14.227   6.8649 16.24738 12.57332 
1 1 1    3   21   14 o   99.511   3.2326   74.524   4.7961   72.877   8.8283   75.214   5.7126   97.052   6.1326   99.778   3.8400 -2.725845 7.235627 
1 1 1    3   21   15 o   37.056   6.6749   11.101   3.5522   11.993   5.4106   10.425   4.7092   37.231   9.6628   34.964   8.9849 2.267540 13.19468 
1 1 1    3   21   16 o   42.188   5.7296   14.235   3.5107   20.005   5.3247   9.7970   4.6694   49.038   7.5229   33.293   9.1322 15.74519 11.83174 
1 1 1    3   21   17 o   22.379   7.9853   4.0504   3.3644   2.9973   5.1346   4.8428   4.4538   22.593   9.3473   24.377   9.1092 -1.783781 13.05179 
1 1 1    3   22    0 f   32.320   9.9955   9.7809   4.2163   9.7809   4.2163   9.7809   4.2163   32.320   9.9955   32.320   9.9955 0.000000 0.000000 
1 1 1    3   22    1 o  100.584   2.5516   75.533   3.8266   73.107   5.1104   78.630   5.7733   98.893   3.4659  102.535   3.7764 -3.641541 5.125804 
1 1 1    3   22    2 o   89.507   2.7977   59.834   3.7336   61.970   4.8700   56.787   5.8152   91.038   3.5878   86.958   4.5006 4.079704 5.755713 
1 1 1    3   22    3 o  171.663   2.2437  219.949   5.7426  218.837   8.2520  220.994   7.9965  171.116   3.2344  171.972   3.1187 -0.8566132 4.493084 
1 1 1    3   22    4 o  116.191   2.4907  100.803   4.3148   93.811   5.5962  111.053   6.7757  112.017   3.3507  121.835   3.7300 -9.818016 5.014030 
1 1 1    3   22    5 o  100.463   3.4392   75.483   5.1515   70.397   7.1487   80.978   7.4300   96.724   4.9739  103.897   4.7964 -7.173073 6.909773 
1 1 1    3   22    6 o   15.912   6.9624  -0.6683   3.1427  -3.6717   4.1952   3.1721   4.7440   15.840   7.3624   24.373   9.3345 -8.533235 11.88859 
1 1 1    3   22    7 o  178.948   2.2605  239.113   6.0311  243.157   8.3820  234.771   8.6846  180.323   3.1176  177.155   3.2880 3.167679 4.531040 
1 1 1    3   22    8 o  119.764   2.5775  107.173   4.6024  102.096   6.3455  112.808   6.6854  116.760   3.6450  122.731   3.6534 -5.971016 5.160812 
1 1 1    3   22    9 o   61.305   3.9680   28.295   3.6075   27.555   5.0867   29.044   5.1169   60.171   5.7395   61.817   5.6130 -1.645851 8.027929 
1 1 1    3   22   10 o   80.705   3.7273   48.831   4.4850   48.478   6.1901   49.222   6.5072   80.033   5.2160   80.593   5.4473 -0.5601196 7.541893 
1 1 1    3   22   11 o   58.082   4.3052   25.511   3.7017   26.828   5.6938   24.546   4.8718   59.029   6.5815   56.625   5.8550 2.403973 8.808952 
1 1 1    3   22   12 o   30.009   7.8015   7.2221   3.5230   11.255   5.5404   4.4846   4.5647   37.086   9.8526   25.688   9.2853 11.39757 13.53850 
1 1 1    3   22   13 o  109.936   3.2856   90.922   5.3855  101.509   8.8533   84.703   6.7852  115.404   5.1454  105.768   4.3027 9.635803 6.707275 
1 1 1    3   22   14 o  112.393   3.0412   95.215   5.0962  116.214   9.2579   86.085   6.1044  122.991   5.0485  106.520   3.8436 16.47122 6.345169 
1 1 1    3   22   15 o   48.179   5.3525   18.299   3.7799   13.921   5.3024   22.822   5.3898   39.965   9.1022   52.910   7.0045 -12.94445 11.48537 
1 1 1    3   22   16 o   25.148   7.7708   5.4301   3.2081   0.1002   5.0147   9.1225   4.1739   19.651   8.6890   31.955   8.5798 -12.30468 12.21115 
1 1 1    3   23    0 f   50.888   6.0098   20.172   4.3927   20.172   4.3927   20.172   4.3927   50.888   6.0098   50.888   6.0098 0.000000 0.000000 
1 1 1    3   23    1 o   15.395   6.6651  -0.3578   2.8166  -0.3598   3.7682  -0.3552   4.2399   17.905   7.7305   19.026   8.2073 -1.120979 11.27472 
1 1 1    3   23    2 o   53.626   4.1987   21.675   3.3302   24.200   4.3442   18.076   5.1861   56.525   5.2135   48.331   7.4351 8.193314 9.080772 
1 1 1    3   23    3 o  174.661   2.1757  227.737   5.6658  221.606   7.6654  235.121   8.4118  172.189   2.9858  177.330   3.1815 -5.141678 4.363153 
1 1 1    3   23    4 o   28.130   7.4643   6.2119   3.1824   7.5438   3.9823   3.8580   5.2940   30.965   8.4087   26.114   9.8942 4.850466 12.98461 
1 1 1    3   23    5 o  107.650   2.9436   86.635   4.7246   83.037   6.0509   92.255   7.5622  105.285   3.8546  110.866   4.5749 -5.580963 5.982293 
1 1 1    3   23    6 o   54.618   4.3429   22.522   3.5074   22.695   4.4925   22.253   5.6129   54.604   5.5973   53.708   7.1899 0.8963242 9.111732 
1 1 1    3   23    7 o   86.992   3.4684   56.664   4.4986   62.184   5.2816   42.074   8.5860   91.079   3.8893   73.890   7.9169 17.18985 8.820632 
1 1 1    3   23    8 o  133.293   2.5577  132.786   5.0831  138.285   7.0253  126.745   7.3638  135.881   3.4677  130.027   3.7984 5.853699 5.143189 
1 1 1    3   23    9 o  126.359   2.7501  119.414   5.1811  116.477   6.9127  123.179   7.8265  124.629   3.7201  128.085   4.0983 -3.455559 5.534895 
1 1 1    3   23   10 o   86.980   3.4723   56.739   4.5031   57.961   6.6979   55.732   6.0831   87.450   5.1598   85.848   4.7713 1.601845 7.027755 
1 1 1    3   23   11 o   72.091   4.0288   39.254   4.3131   45.986   6.2505   33.135   5.9591   77.649   5.4331   65.629   6.1622 12.02052 8.215335 
1 1 1    3   23   12 o   70.153   4.0328   37.295   4.2004   36.511   7.0992   37.717   5.2102   68.278   7.0763   70.245   5.0076 -1.966652 8.668894 
1 1 1    3   23   13 o   26.227   8.5034   5.4981   3.7998   4.1879   5.5376   6.6639   5.2237   25.803   10.030   28.936   9.9789 -3.132708 14.14880 
1 1 1    3   23   14 o   23.816   8.1478   4.4836   3.4799   4.2163   5.5314   4.6587   4.4769   25.311   9.9704   24.901   9.1657 0.4097958 13.54319 
1 1 1    3   23   15 o   55.940   5.0533   24.695   4.1691   26.887   5.7010   22.175   6.1126   57.140   6.8269   50.664   8.3852 6.476112 10.81288 
1 1 1    3   23   16 o   32.699   7.4347   9.4039   3.5426   20.988   6.9550   5.3452   4.1167   46.417   10.317   24.705   8.8311 21.71273 13.58048 
1 1 1    3   24    0 o  136.036   3.5334  138.465   7.1557  138.465   7.1557  138.465   7.1557  136.036   3.5334  136.036   3.5334 0.000000 0.000000 
1 1 1    3   24    1 o  117.835   2.7122  103.766   4.7651  101.149   6.5493  106.709   6.9459  116.206   3.7801  119.338   3.9037 -3.132401 5.433956 
1 1 1    3   24    2 o   38.787   6.2878   11.645   3.5118   12.951   4.4732   9.5462   5.6697   40.646   7.6624   34.828   10.239 5.817646 12.78846 
1 1 1    3   24    3 o   98.423   3.2426   72.482   4.7584   70.779   5.4558   77.894   9.7272   97.199   3.7647  101.282   6.4753 -4.083679 7.490158 
1 1 1    3   24    4 o   80.158   4.3563   48.369   5.1869   39.940   6.7066   60.915   8.1820   72.421   6.2731   89.577   6.1638 -17.15570 8.794549 
1 1 1    3   24    5 o  118.766   2.6672  105.437   4.7231  108.508   6.0749  100.743   7.5098  120.385   3.3845  115.835   4.3483 4.549553 5.510254 
1 1 1    3   24    6 o   89.718   3.1482   60.242   4.2113   60.832   5.3437   59.275   6.8414   90.050   3.9800   88.547   5.2049 1.503654 6.552225 
1 1 1    3   24    7 o  101.264   3.0334   76.738   4.5798   79.257   5.9560   73.094   7.1636  102.787   3.8864   98.533   4.8762 4.253845 6.235497 
1 1 1    3   24    8 o   80.499   4.0497   48.790   4.8450   50.988   7.0955   46.870   6.6318   81.864   5.8518   78.512   5.7043 3.351891 8.172051 
1 1 1    3   24    9 o   59.677   4.3527   26.953   3.8462   21.490   5.3490   32.800   5.5344   52.593   6.9949   65.532   5.7217 -12.93924 9.036963 
1 1 1    3   24   10 o   24.271   8.3201   4.2782   3.6287   8.2120   5.2403   0.6540   5.0298   32.070   9.9352   21.472   9.0909 10.59805 13.46676 
1 1 1    3   24   11 f  114.165   2.7451   97.767   4.6726   99.223   7.2279   96.721   6.1244  114.526   4.2329  113.293   3.6257 1.233589 5.573419 
1 1 1    3   24   12 o   21.507   8.1495   2.8989   3.5918   0.4792   6.5207   3.9528   4.3036   23.335   10.122   24.088   8.9636 -0.7533493 13.52024 
1 1 1    3   24   13 o   21.169   8.7475   1.8699   4.4888   4.1872   9.5890   1.2196   5.0798   29.159   12.456   21.381   9.0977 7.777689 15.42431 
1 1 1    3   24   14 o   18.481   7.6096   1.4703   3.3811  -3.9000   5.0296   5.8983   4.5671   16.701   7.8588   26.443   9.3177 -9.741434 12.18932 
1 1 1    3   24   15 o   18.943   7.8068   1.8119   3.5626  -2.7646   4.9664   6.6632   5.1133   17.029   7.9468   27.075   9.8211 -10.04595 12.63358 
1 1 1    3   25    0 o  227.015   3.0781  384.961   10.414  384.961   10.414  384.961   10.414  227.015   3.0781  227.015   3.0781 0.000000 0.000000 
1 1 1    3   25    1 o   89.737   2.9914   60.244   4.0024   59.497   5.4110   61.145   5.9474   89.047   4.0756   90.219   4.4214 -1.172615 6.013267 
1 1 1    3   25    2 f  153.899   2.3901  176.969   5.4844  176.274   7.3511  177.841   8.2362  153.456   3.2129  154.059   3.5857 -0.6031952 4.814542 
1 1 1    3   25    3 o   30.113   7.2625   7.1742   3.2229   6.0305   4.1604   8.8906   5.0965   28.115   8.8751   33.497   9.6675 -5.381737 13.12358 
1 1 1    3   25    4 o   79.635   4.0585   47.723   4.8028   48.036   7.2205   47.475   6.4321   79.420   6.1455   79.123   5.4862 0.2976913 8.238057 
1 1 1    3   25    5 o   93.382   3.1530   65.287   4.3900   60.800   5.4287   73.765   7.4623   89.992   4.0460   98.797   5.0831 -8.805351 6.496784 
1 1 1    3   25    6 o   39.426   6.6077   12.119   3.7468   13.497   4.5362   9.1618   6.6467   41.394   7.6310   34.450   11.251 6.944431 13.59448 
1 1 1    3   25    7 o   51.784   4.9862   20.419   3.8022   19.345   4.8517   22.128   6.1209   49.974   6.6786   53.111   7.9761 -3.136871 10.40299 
1 1 1    3   25    8 o   30.549   8.0747   7.4738   3.7336   16.303   5.1928  -1.9751   5.3719   45.348   7.9711   19.736   8.8425 25.61257 11.90501 
1 1 1    3   25    9 o   51.974   6.4350   20.996   4.8799   20.335   11.554   21.139   5.3837   48.115   14.728   51.914   7.1448 -3.798641 16.36913 
1 1 1    3   25   10 o   76.438   3.7867   44.094   4.3156   42.050   6.0560   46.202   6.1513   73.947   5.5329   77.606   5.3489 -3.658546 7.695674 
1 1 1    3   25   11 o   35.194   7.2272   10.082   3.6654   12.349   5.1617   7.7754   5.2059   38.244   9.1707   30.656   9.9542 7.588137 13.53468 
1 1 1    3   25   12 o   69.593   3.5876   36.894   3.7099   38.452   5.7459   35.780   4.8582   70.032   5.5483   67.949   4.8268 2.083054 7.354028 
1 1 1    3   25   13 o   40.712   6.6681   13.672   3.9074   10.633   6.4023   15.476   4.9327   33.527   11.046   42.468   8.0855 -8.941364 13.68929 
1 1 1    3   25   14 o   24.697   7.8440   5.3212   3.2460   5.4597   4.7602   5.2009   4.4380   25.309   9.4252   24.778   9.1249 0.5300369 13.11861 
1 1 1    3   26    0 o   99.195   4.0553   73.927   5.9749   73.927   5.9749   73.927   5.9749   99.195   4.0553   99.195   4.0553 0.000000 0.000000 
1 1 1    3   26    1 o   22.641   7.9080   3.5388   3.2856   1.2595   4.4626   6.2369   4.8553   21.238   8.7432   28.929   9.6239 -7.690733 13.00237 
1 1 1    3   26    2 o   22.373   8.1531   3.1962   3.5297   2.5512   4.7758   3.9727   5.2400   23.431   9.2533   26.007   9.8460 -2.576300 13.51180 
1 1 1    3   26    3 o   68.321   6.1591   35.684   6.2065   24.130   13.849   38.588   6.9428   53.126   16.095   70.928   6.6425 -17.80164 17.41163 
1 1 1    3   26    4 o  136.945   2.6411  140.283   5.3926  143.882   6.9437  134.814   8.5601  138.546   3.3614  133.880   4.2884 4.666138 5.448813 
1 1 1    3   26    5 o  126.837   2.7808  120.411   5.2589  117.324   6.6225  125.681   8.6522  125.043   3.5522  129.169   4.4926 -4.125908 5.727243 
1 1 1    3   26    6 o   54.034   6.0232   22.469   4.7699   25.105   4.9367 -14.5688   18.503   57.192   5.8727   31.821   15.004 25.37173 16.11210 
1 1 1    3   26    7 o   34.658   8.6634   9.7388   4.4645   9.4243   5.8346   10.183   6.9345   34.154   10.467   35.586   11.482 -1.432449 15.53728 
1 1 1    3   26    8 o   14.320   6.7023  -3.3195   3.5749 -10.5364   4.9348   4.6509   5.1860   13.556   6.6967   26.488   9.8430 -12.93122 11.90501 
1 1 1    3   26    9 o   43.886   6.7922   15.274   4.3007   8.8477   7.0476   19.087   5.4287   33.235   11.583   48.768   7.7234 -15.53251 13.92219 
1 1 1    3   26   10 o   92.982   3.5331   65.409   4.8980   66.132   6.2450   64.252   7.8955   93.073   4.5003   90.836   5.8610 2.237114 7.389454 
1 1 1    3   26   11 o   18.374   7.6684   1.0668   3.4993   0.5071   4.7586   1.7259   5.1637   20.072   8.6766   22.002   9.2574 -1.929653 12.68793 
1 1 1    3   26   12 o   48.426   5.1189   18.554   3.6399   12.718   5.1035   24.596   5.1929   37.657   9.1742   54.941   6.4630 -17.28362 11.22213 
1 1 1    3   26   13 o   21.425   7.6818   3.6730   3.1172   4.8043   4.7400   2.8109   4.1378   24.367   9.3311   21.114   8.5202 3.253633 12.63577 
1 1 1    3   26   14 o   14.758   6.7041  -0.9215   3.2136   1.6079   4.9382  -2.7796   4.2325   20.202   8.7857   15.338   7.2147 4.864388 11.36836 
1 1 1    3   27    0 o   15.347   9.5794   1.1430   4.4756   1.1430   4.4756   1.1430   4.4756   15.347   9.5794   15.347   9.5794 0.000000 0.000000 
1 1 1    3   27    1 o   77.152   3.3611   44.645   3.8664   54.343   5.2354   33.010   5.7344   84.989   4.1316   65.675   5.9198 19.31375 7.219029 
1 1 1    3   27    2 o  154.256   2.4028  177.952   5.5263  178.548   7.3710  177.188   8.3511  154.324   3.2035  153.607   3.6464 0.7166443 4.853698 
1 1 1    3   27    3 o   31.936   9.1310   8.1790   4.5661   0.5927   6.7783   14.481   6.1782   24.534   10.476   42.100   9.9925 -17.56611 14.47732 
1 1 1    3   27    4 o   68.082   3.8425   34.974   3.8846   38.767   4.9685   29.008   6.2304   71.489   4.6874   61.124   6.9607 10.36490 8.391858 
1 1 1    3   27    5 o   51.921   4.8665   20.583   3.7233   23.814   4.7508   15.439   5.9947   55.614   5.8154   43.464   9.5144 12.15007 11.15091 
1 1 1    3   27    6 o   17.267   7.7032  -1.3117   4.0302  -1.6078   4.4610   0.0032   9.3998   17.978   8.0563   27.571   12.053 -9.592609 14.49745 
1 1 1    3   27    7 o   30.438   8.5834   7.5684   4.0637   2.6081   5.6352   12.943   5.8656   24.386   9.9069   39.267   9.9936 -14.88187 14.07190 
1 1 1    3   27    8 o   52.179   5.1779   21.050   3.9751   16.669   5.5411   25.696   5.7057   44.986   8.5743   56.983   6.8532 -11.99642 10.97655 
1 1 1    3   27    9 o   49.220   5.3049   18.912   3.8315   16.317   5.3315   21.684   5.5101   44.236   8.3905   51.739   7.3494 -7.502514 11.15412 
1 1 1    3   27   10 o   22.605   8.4769   3.6209   3.8636   1.7552   5.0003   6.3849   6.0863   21.691   9.1174   28.283   10.633 -6.591951 14.00667 
1 1 1    3   27   11 o   13.306   6.2494  -2.7009   3.1545  -7.5105   4.6325   1.4575   4.3075   13.805   6.7523   19.966   8.4310 -6.161587 10.80166 
1 1 1    3   27   12 o   64.177   3.8639   31.966   3.6800   34.657   5.5566   29.863   4.9114   65.298   5.7667   60.835   5.4734 4.462521 7.950612 
1 1 1    3   27   13 f   51.809   5.2947   21.937   4.0325   13.393   6.3380   27.748   5.2268   35.173   10.931   57.414   6.2046 -22.24131 12.56944 
1 1 1    3   28    0 o   49.638   6.6960   19.536   4.7019   19.536   4.7019   19.536   4.7019   49.638   6.6960   49.638   6.6960 0.000000 0.000000 
1 1 1    3   28    1 o   44.200   5.2386   15.036   3.3851   13.411   4.4966   17.162   5.1427   41.002   7.6365   46.494   7.6873 -5.492428 10.83559 
1 1 1    3   28    2 o  105.291   3.4765   83.364   5.4576   79.086   9.0002   85.851   6.8634  101.545   5.9709  106.602   4.3182 -5.057159 7.368743 
1 1 1    3   28    3 o   67.551   3.8391   34.504   3.8507   36.774   4.9037   30.854   6.2193   69.485   4.7619   62.942   6.7317 6.543877 8.245686 
1 1 1    3   28    4 o   34.020   7.5114   9.3462   3.7081   9.7169   4.2437   8.1492   7.6252   34.485   8.3441   32.954   11.987 1.530842 14.60538 
1 1 1    3   28    5 o   90.744   3.1513   61.939   4.2635   65.569   5.6869   57.279   6.4427   93.079   4.0978   86.539   5.0148 6.539703 6.476105 
1 1 1    3   28    6 o   55.431   5.3699   23.787   4.3823   23.456   6.1423   24.131   6.2544   53.938   7.8695   54.706   7.8966 -0.7679787 11.14832 
1 1 1    3   28    7 o   59.381   4.6145   27.119   4.0534   36.482   5.8979   18.739   5.5800   68.323   5.8460   47.732   8.1323 20.59135 10.01554 
1 1 1    3   28    8 o   15.339   6.9264  -1.3026   3.3694   7.6606   4.5203 -12.5093   5.0545   29.903   9.2215   12.835   6.4120 17.06833 11.23164 
1 1 1    3   28    9 o   39.304   6.3934   12.615   3.6178   10.664   4.9592   14.834   5.2894   34.502   9.3895   41.165   8.8791 -6.662224 12.92286 
1 1 1    3   28   10 o   32.548   7.8324   9.2655   3.7549   10.500   4.8665   7.4489   5.9028   33.744   9.3501   28.706   10.531 5.037947 14.08267 
1 1 1    3   28   11 o   45.404   5.4589   16.767   3.6214   16.314   4.8154   17.358   5.4944   43.031   7.7923   43.550   8.7653 -0.5184441 11.72820 
1 1 1    3   28   12 o   33.413   7.4481   10.087   3.6158   15.692   6.3837   7.4402   4.3874   38.284   10.745   27.525   9.1480 10.75906 14.11152 
1 1 1    3   29    0 o   73.545   4.9311   41.193   5.3514   41.193   5.3514   41.193   5.3514   73.545   4.9311   73.545   4.9311 0.000000 0.000000 
1 1 1    3   29    1 o   33.340   6.8739   8.9434   3.3034   8.7813   4.5328   9.1270   4.8243   32.538   9.0265   33.111   9.3576 -0.5722694 13.00163 
1 1 1    3   29    2 o   29.481   8.7785   7.1210   4.1462   3.2387   7.1150   9.1172   5.1019   26.845   11.044   33.023   9.7138 -6.178219 14.70833 
1 1 1    3   29    3 o   47.330   5.8276   17.524   4.0255   17.305   4.4657   18.474   9.2989   46.731   6.5925   45.064   13.074 1.666595 14.64192 
1 1 1    3   29    4 o   14.955   7.0599  -4.1263   4.1199  -2.7948   4.2272 -29.3696   18.406   16.211   7.4842   26.016   12.867 -9.805271 14.88534 
1 1 1    3   29    5 o   29.063   8.0788   7.0465   3.6270   11.614   4.8028   0.9845   5.5331   36.999   8.8293   22.067   9.4448 14.93179 12.92907 
1 1 1    3   29    6 o   48.022   5.7451   18.249   4.0318   16.692   5.6933   19.816   5.7105   44.172   8.9512   48.739   8.1458 -4.567078 12.10285 
1 1 1    3   29    7 o   12.383   5.9548  -4.2678   3.2231  -9.9649   4.2478   3.4629   4.9482   11.981   5.9683   23.522   9.3777 -11.54083 11.11583 
1 1 1    3   29    8 o   27.563   7.9014   6.6028   3.4149   13.255   4.6433  -1.2338   5.0397   38.969   8.2488   18.588   8.4251 20.38136 11.79084 
1 1 1    3   29    9 o   58.133   5.0756   26.946   4.3551   26.683   5.0636   27.693   8.5369   57.094   6.0400   52.952   11.165 4.142731 12.69379 
1 1 1    3   29   10 o   29.967   7.6184   8.0860   3.4114   9.4054   4.7115   6.6320   4.9459   31.086   9.3809   26.541   9.6543 4.544296 13.46131 
1 1 1    3   29   11 o   22.592   8.0463   4.6015   3.4145  -1.7242   4.4816   13.355   5.2718   16.399   7.6179   36.186   9.6095 -19.78756 12.26275 
1 1 1    3   30    0 o   46.679   8.1452   18.082   5.1520   18.082   5.1520   18.082   5.1520   46.679   8.1452   46.679   8.1452 0.000000 0.000000 
1 1 1    3   30    1 o   19.897   8.3338   1.2082   4.1537  -3.1467   8.2718   2.6767   4.8032   22.978   10.558   22.739   9.1784 0.2395039 13.98958 
1 1 1    3   30    2 o   72.468   4.3990   40.365   4.7306   42.109   5.2486   32.817   10.920   73.816   4.7950   59.173   12.753 14.64241 13.62454 
1 1 1    3   30    3 o   49.220   6.3865   19.432   4.5763   21.465   4.8376   2.1242   14.116   51.751   6.4064   31.294   14.150 20.45714 15.53267 
1 1 1    3   30    4 o   17.564   7.5015   0.5221   3.4771   3.6901   4.4704  -4.3299   5.5324   23.366   9.0320   17.557   8.2555 5.809010 12.23647 
1 1 1    3   30    5 o   24.282   8.9864   4.5475   4.3140   11.996   5.6255  -6.0858   6.7216   36.137   10.067   18.504   8.8170 17.63359 13.38210 
1 1 1    3   30    6 o   13.464   6.3046  -2.5451   3.1704  -4.3014   4.3072  -0.4681   4.6839   14.873   7.0788   18.590   8.2982 -3.717738 10.90733 
1 1 1    3   30    7 o   12.212   5.9721  -5.9436   3.6192  -6.1348   5.4421  -5.7920   4.8462   15.932   7.6805   14.982   7.2292 0.9493380 10.54757 
1 1 1    3   30    8 o   43.251   6.5350   15.816   4.0828   12.570   6.2200   18.273   5.4118   34.816   10.831   44.931   8.3869 -10.11495 13.69820 
1 1 1    3   30    9 o   22.467   8.4618   4.3260   3.8580   8.0960   4.8370  -2.2658   6.3959   28.399   9.6065   19.049   8.9312 9.349957 13.11683 
1 1 1    3   30   10 o   35.163   7.6164   11.500   3.8776   12.770   4.6967   8.7791   6.8722   35.826   8.8456   27.645   11.042 8.180796 14.14808 
1 1 1    3   31    0 o   17.096   11.116   0.4801   6.8110   0.4801   6.8110   0.4801   6.8110   17.096   11.116   17.096   11.116 0.000000 0.000000 
1 1 1    3   31    1 o   27.171   8.5208   6.4301   3.8412   8.4363   4.5809   1.6785   7.0498   30.606   9.2531   23.864   10.435 6.741995 13.94674 
1 1 1    3   31    2 o   14.674   6.8603  -2.7658   3.7281   2.0458   4.2667 -18.2972   7.6657   20.590   8.5199   15.401   7.7235 5.189157 11.49959 
1 1 1    3   31    3 o   15.605   7.0274  -0.9292   3.4410  -2.6081   4.2790   2.1438   5.7892   15.966   7.4259   22.587   9.6639 -6.620535 12.18751 
1 1 1    3   31    4 o   32.072   7.8658   9.0896   3.7327   13.076   5.5441   5.7842   5.0482   37.093   9.8565   25.973   9.6995 11.12000 13.82868 
1 1 1    3   31    5 o   39.225   5.8854   12.699   3.3358   19.755   4.6366   5.1285   4.8029   48.522   6.5786   24.696   9.4080 23.82577 11.47987 
1 1 1    3   31    6 o   36.222   6.4339   11.160   3.3474   11.512   4.4356   10.695   5.1019   35.197   8.5394   32.892   9.7247 2.304375 12.94186 
1 1 1    3   31    7 o   20.765   7.6863   3.5531   3.1563   3.0316   4.2133   4.2200   4.7648   20.890   8.5354   22.837   9.1685 -1.947611 12.52657 
1 1 1    3   31    8 o   19.335   7.7081   2.7520   3.3430   2.0717   4.4516   3.6319   5.0626   19.671   8.4468   21.916   9.1909 -2.244732 12.48287 
1 1 1    3   31    9 o   20.934   7.9894   3.9407   3.4677   7.5644   4.6542  -0.5811   5.1990   26.438   9.3964   17.849   8.2612 8.589022 12.51152 
1 1 1    3   32    0 o   18.299   10.366   3.8628   4.3633   3.8628   4.3633   3.8628   4.3633   18.299   10.366   18.299   10.366 0.000000 0.000000 
1 1 1    3   32    1 o   24.422   7.8678   5.3199   3.2569   6.9222   4.1335   2.6966   5.2890   27.204   8.8717   21.938   9.3072 5.266050 12.85808 
1 1 1    3   32    2 o   50.825   5.0419   20.837   3.7702   23.552   4.8055   16.490   6.0805   53.085   6.1876   40.753   10.066 12.33153 11.81595 
1 1 1    3   32    3 o   14.964   6.8607  -1.3142   3.4674  -8.0505   5.0920   4.5099   4.7347   14.108   6.9371   23.373   9.2188 -9.264344 11.53728 
1 1 1    3   32    4 o   14.728   6.6612  -0.7253   3.1308   2.0747   4.1842  -4.2869   4.7191   19.678   8.3093   15.233   7.2938 4.444105 11.05642 
1 1 1    3   32    5 o   15.904   7.1460  -0.2948   3.5350  -0.6534   4.3470   0.4056   6.0743   17.014   7.7554   20.172   9.1844 -3.157911 12.02079 
1 1 1    3   32    6 o   12.908   6.1423  -2.8482   3.2386   0.6400   4.2825  -7.5082   4.9498   17.882   7.9619   13.788   6.7913 4.093983 10.46487 
1 1 1    3   32    7 o   18.861   7.6123   2.6986   3.3035   4.4617   4.5289   0.6938   4.8293   22.027   8.9050   18.350   8.2888 3.676664 12.16561 
1 1 1    3   33    0 o   11.183   7.9070  -5.5304   5.3789  -5.5304   5.3789  -5.5304   5.3789   11.183   7.9070   11.183   7.9070 0.000000 0.000000 
1 1 1    3   33    1 f   19.063   7.6254   2.6694   3.2828   1.2841   5.0008   3.7184   4.3518   19.405   8.6238   21.401   8.7015 -1.996510 12.25093 
1 1 1    3   33    2 o   15.962   7.0515   0.3463   3.2953   3.0529   5.1035  -1.5889   4.3154   21.107   9.0532   15.991   7.4440 5.115607 11.72068 
1 1 1    3   33    3 o   22.397   7.7824   4.7299   3.1800   8.5555   4.3354   0.2743   4.6788   28.555   9.0647   17.939   8.1257 10.61629 12.17351 
1 1 1    3   33    4 o   21.036   7.7976   4.0775   3.2506   9.2778   4.4511  -1.8656   4.7584   29.369   9.1662   16.286   7.6572 13.08344 11.94364 
1 1 1    3   33    5 o   17.394   7.4272   1.6995   3.4073   3.7435   4.6519  -0.6663   5.0047   20.877   8.7855   17.258   8.0282 3.618351 11.90116 
1 1 1    3   34    0 o   19.397   10.375   4.9511   4.1031   4.9511   4.1031   4.9511   4.1031   19.397   10.375   19.397   10.375 0.000000 0.000000 
1 1 1    3   34    1 o   17.848   7.2628   2.4903   3.0349   1.6331   4.3345   3.3146   4.2507   18.084   8.0331   19.800   8.3688 -1.716585 11.60030 
1 1 1    3   34    2 o   21.693   7.7496   4.7764   3.1696   6.9119   4.4476   2.5726   4.5183   24.451   9.1096   19.077   8.3476 5.374195 12.35582 
1 1 1    4    1    0 o  162.498   2.3148  196.979   5.6058  196.979   5.6058  196.979   5.6058  162.498   2.3148  162.498   2.3148 0.000000 0.000000 
1 1 1    4    1    1 o  334.864   1.9283  835.994   9.6274  824.471   12.209  854.938   15.655  332.542   2.4625  338.620   3.1007 -6.078735 3.959553 
1 1 1    4    1    2 o  340.851   2.5423  866.207   12.920   0.0000   0.0000  866.207   12.920  ?   ?   340.851   2.5423 0.000000 2.542303 
1 1 1    4    1    3 o  742.591   3.6585  4112.22   40.506  4040.56   62.818  4163.21   52.995  735.925   5.7251  747.100   4.7576 -11.17480 7.443845 
1 1 1    4    1    4 o  218.949   1.4669  357.408   4.7888  351.430   7.2833  361.960   6.3557  217.099   2.2501  220.333   1.9347 -3.233948 2.967494 
1 1 1    4    1    5 o  326.764   2.3344  796.224   11.373  768.916   15.695  826.417   16.503  321.066   3.2787  332.852   3.3255 -11.78577 4.669991 
1 1 1    4    1    6 o  173.435   1.5827  224.265   4.0926  230.437   6.3642  219.912   5.3441  175.792   2.4282  171.737   2.0871 4.055557 3.201845 
1 1 1    4    1    7 o  269.518   1.6396  541.563   6.5886  535.203   10.735  545.406   8.3454  267.913   2.6874  270.466   2.0695 -2.553040 3.391858 
1 1 1    4    1    8 o  166.542   1.8129  206.786   4.5017  207.686   8.5439  206.440   5.2965  166.887   3.4337  166.400   2.1349 0.4868774 4.043268 
1 1 1    4    1    9 o  434.450   2.1086  1407.24   13.658  1421.26   22.501  1399.05   17.187  436.569   3.4568  433.170   2.6612 3.399139 4.362474 
1 1 1    4    1   10 o  128.455   2.3344  123.030   4.4710  123.747   6.6957  122.453   6.0063  128.816   3.4862  128.145   3.1436 0.6712799 4.694268 
1 1 1    4    1   11 o   49.255   4.3152   18.238   3.1371   9.7850   5.3475   22.674   3.8737   35.611   9.7747   54.917   4.7785 -19.30595 10.88018 
1 1 1    4    1   12 o  186.463   2.0967  259.262   5.8290  260.911   15.304  258.983   6.3042  186.911   5.4917  186.358   2.2689 0.5529327 5.941922 
1 1 1    4    1   13 o  175.735   1.9205  230.302   5.0321  221.309   8.4966  235.160   6.2452  172.215   3.3091  177.564   2.3589 -5.349396 4.063801 
1 1 1    4    1   14 o  150.976   2.2941  170.029   5.1641  176.789   7.9443  165.083   6.7957  153.887   3.4624  148.727   3.0646 5.159714 4.623874 
1 1 1    4    1   15 o  142.317   2.1406  151.094   4.5421  144.368   7.8212  154.517   5.5793  139.014   3.7735  143.897   2.6005 -4.882492 4.582801 
1 1 1    4    1   16 o  173.928   2.1875  225.715   5.6726  219.753   11.540  227.615   6.5139  171.372   4.5163  174.635   2.5017 -3.262939 5.162946 
1 1 1    4    1   17 o   83.058   3.0634   51.530   3.7936   42.612   6.5067   56.123   4.6694   75.110   5.8565   86.647   3.6144 -11.53683 6.882030 
1 1 1    4    1   18 o   72.101   3.7624   39.005   4.0306   32.333   8.1659   41.154   4.6345   64.668   8.6891   74.006   4.2176 -9.338196 9.658566 
1 1 1    4    1   19 o   22.953   8.4094   3.3053   3.7624   4.9897   8.2643   2.8649   4.2257   31.086   12.205   23.003   8.8099 8.082582 15.05284 
1 1 1    4    1   20 o   53.890   4.4495   22.074   3.5432   26.579   7.3050   20.688   4.0517   57.725   8.7630   51.948   5.3057 5.777294 10.24406 
1 1 1    4    1   21 o   73.347   7.0371   42.420   7.6012   42.726   10.950   42.136   10.560   71.258   10.632   71.018   10.271 0.2400131 14.78287 
1 1 1    4    1   22 o   37.942   6.5730   11.672   3.5837   35.758   10.459   8.4676   3.8146   62.857   11.587   31.647   8.0618 31.20957 14.11567 
1 1 1    4    2    0 o  444.760   3.7780  1475.16   25.049  1475.16   25.049  1475.16   25.049  444.760   3.7780  444.760   3.7780 0.000000 0.000000 
1 1 1    4    2    1 o  917.323   4.9322  6275.93   67.459  6455.87   98.270  6115.58   92.769  930.161   7.0859  905.339   6.8726 24.82184 9.871277 
1 1 1    4    2    2 o  396.297   2.1885  1170.91   12.931  1168.14   20.379  1172.78   16.730  395.798   3.4534  396.599   2.8293 -0.8013000 4.464395 
1 1 1    4    2    3 o  524.955   2.3122  2054.70   18.097  2043.39   27.527  2063.31   24.017  523.456   3.5270  526.024   3.0623 -2.568298 4.670903 
1 1 1    4    2    4 o   67.125   1.7487   33.595   1.7502   32.863   2.6648   34.149   2.3209   66.384   2.6923   67.674   2.3002 -1.289383 3.541107 
1 1 1    4    2    5 o  513.489   2.7652  1966.45   21.170  1969.73   33.501  1964.28   27.316  513.756   4.3735  513.134   3.5704 0.6225586 5.645811 
1 1 1    4    2    6 o  504.663   2.3458  1899.05   17.651  1921.97   27.271  1882.53   23.155  507.626   3.6032  502.423   3.0911 5.202728 4.747386 
1 1 1    4    2    7 o  353.100   1.9379  929.568   10.203  927.093   15.654  931.397   13.453  352.605   2.9775  353.434   2.5529 -0.8289490 3.922075 
1 1 1    4    2    8 o  813.447   3.7487  4934.54   45.466  5064.81   81.116  4874.87   54.900  823.820   6.6040  808.448   4.5546 15.37140 8.022254 
1 1 1    4    2    9 o  283.876   1.8070  600.807   7.6482  601.974   12.535  600.114   9.6534  284.132   2.9589  283.706   2.2821 0.4266357 3.736710 
1 1 1    4    2   10 o  296.572   1.8882  655.764   8.3493  658.448   13.625  654.150   10.566  297.152   3.0753  296.197   2.3924 0.9548340 3.896283 
1 1 1    4    2   11 o  330.506   1.8699  814.448   9.2146  810.872   15.918  816.251   11.301  329.730   3.2378  330.859   2.2908 -1.128754 3.966261 
1 1 1    4    2   12 o  218.053   1.8238  354.531   5.9293  329.869   9.8805  368.411   7.4123  210.288   3.1513  222.268   2.2367 -11.98013 3.864419 
1 1 1    4    2   13 o  227.359   1.8592  385.482   6.3026  398.589   11.189  379.390   7.6279  231.118   3.2469  225.538   2.2684 5.579376 3.960817 
1 1 1    4    2   14 o  171.006   2.2570  218.137   5.7545  209.875   8.5960  224.847   7.7465  167.668   3.4386  173.575   2.9933 -5.907318 4.558875 
1 1 1    4    2   15 o  116.167   2.3398  100.685   4.0525  107.436   7.1372   97.473   4.9232  119.903   3.9923  114.274   2.8895 5.629036 4.928292 
1 1 1    4    2   16 f  211.253   2.1145  332.971   6.6601  356.609   14.324  326.450   7.5227  218.320   4.4004  209.148   2.4124 9.172333 5.018265 
1 1 1    4    2   17 o  152.163   2.4130  172.824   5.4744  188.648   11.059  167.687   6.3005  158.705   4.6736  149.851   2.8200 8.854095 5.458463 
1 1 1    4    2   18 o  104.473   2.9851   81.566   4.6497   91.867   10.172   78.844   5.2279  110.256   6.2131  102.676   3.4149 7.580032 7.089760 
1 1 1    4    2   19 o   53.382   4.9424   21.635   3.8891   27.183   8.3350   20.092   4.3971   58.498   9.9103   51.232   5.8619 7.265263 11.51420 
1 1 1    4    2   20 o   36.477   6.3803   10.466   3.3436   16.606   6.6916   8.4231   3.8601   44.827   10.237   32.295   8.0462 12.53183 13.02049 
1 1 1    4    2   21 o   67.194   4.7180   34.591   4.6968   30.577   7.1815   37.591   6.2087   61.623   8.0054   69.470   6.0547 -7.847588 10.03724 
1 1 1    4    2   22 o   53.426   4.5491   22.085   3.5892   26.462   7.2312   20.654   4.1344   55.819   8.9944   51.228   5.4989 4.590446 10.54217 
1 1 1    4    3    0 o  123.303   3.5716  113.641   6.5536  113.641   6.5536  113.641   6.5536  123.303   3.5716  123.303   3.5716 0.000000 0.000000 
1 1 1    4    3    1 o  398.803   2.8387  1185.86   16.879   0.0000   0.0000  1185.86   16.879  ?   ?   398.803   2.8387 0.000000 2.838667 
1 1 1    4    3    2 o  134.247   1.2413  134.360   2.4845  132.578   3.8014  135.688   3.2826  133.351   1.9119  134.907   1.6320 -1.556366 2.513742 
1 1 1    4    3    3 o  447.563   2.0545  1493.53   13.710  1489.77   20.945  1496.35   18.135  446.953   3.1430  447.960   2.7152 -1.007446 4.153394 
1 1 1    4    3    4 o  342.893   1.6539  876.632   8.4554  868.613   11.882  884.859   12.035  341.297   2.3350  344.474   2.3433 -3.176636 3.308045 
1 1 1    4    3    5 o  186.652   1.6492  259.756   4.5896  254.129   6.4512  265.524   6.5310  184.605   2.3438  188.699   2.3213 -4.093887 3.298796 
1 1 1    4    3    6 o  281.430   1.8567  590.519   7.7909  586.194   10.941  594.968   11.097  280.380   2.6171  282.471   2.6349 -2.090210 3.713774 
1 1 1    4    3    7 o  411.784   2.2659  1264.27   13.911  1314.96   24.959  1241.42   16.755  419.899   3.9868  408.033   2.7542 11.86548 4.845576 
1 1 1    4    3    8 o  218.307   1.8131  355.314   5.9015  370.495   9.2415  344.860   7.6687  222.910   2.7806  215.066   2.3916 7.844757 3.667605 
1 1 1    4    3    9 o  508.343   2.3159  1926.74   17.553  1953.18   25.164  1901.69   24.496  511.776   3.2979  504.988   3.2535 6.788055 4.632616 
1 1 1    4    3   10 o  303.894   1.8970  688.547   8.5953  705.559   12.271  672.159   12.043  307.608   2.6755  300.238   2.6904 7.369446 3.794268 
1 1 1    4    3   11 o  165.682   1.8829  204.673   4.6513  212.992   7.9056  200.268   5.7523  168.991   3.1376  163.882   2.3542 5.109329 3.922593 
1 1 1    4    3   12 o   26.953   6.7579   5.6453   2.7108   1.9577   4.5270   7.7067   3.3846   22.578   8.9797   31.468   7.3473 -8.889647 11.60251 
1 1 1    4    3   13 f  218.142   1.8531  354.865   6.0271  359.611   10.641  352.623   7.3135  219.521   3.2511  217.435   2.2559 2.085938 3.957111 
1 1 1    4    3   14 o  145.889   2.1690  158.761   4.7179  159.858   7.7098  158.104   5.9652  146.321   3.5340  145.561   2.7486 0.7598267 4.477051 
1 1 1    4    3   15 o   39.339   5.5407   11.818   3.1598   9.3657   5.9899   12.763   3.7194   34.997   10.581   40.778   6.3222 -5.781384 12.32585 
1 1 1    4    3   16 o  176.472   2.1844  232.376   5.7476  233.550   11.719  232.004   6.5954  176.664   4.4491  176.305   2.5090 0.3587341 5.107769 
1 1 1    4    3   17 o  164.105   2.2947  200.995   5.6145  198.012   11.368  201.958   6.4569  162.584   4.6897  164.467   2.6332 -1.883621 5.378370 
1 1 1    4    3   18 o   75.076   3.6694   42.181   4.1074   33.842   9.1393   44.292   4.5979   65.882   9.5852   76.797   4.0296 -10.91532 10.39778 
1 1 1    4    3   19 o   81.771   3.4134   50.100   4.1616   66.522   9.4012   46.098   4.6410   93.294   6.8057   78.265   3.9904 15.02843 7.889268 
1 1 1    4    3   20 o   69.501   3.8469   36.499   3.9708   43.756   7.7559   33.921   4.6226   75.008   7.0167   66.779   4.6722 8.228622 8.429901 
1 1 1    4    3   21 o   84.342   4.2160   54.047   5.3017   64.022   8.4879   47.666   6.7889   90.546   6.3271   78.333   5.8551 12.21221 8.620551 
1 1 1    4    3   22 o   78.849   3.2550   47.118   3.8267   33.261   7.0350   52.940   4.5603   63.682   7.5568   83.395   3.6676 -19.71353 8.399804 
1 1 1    4    4    0 o  541.184   4.4667  2184.39   36.036  2184.39   36.036  2184.39   36.036  541.184   4.4667  541.184   4.4667 0.000000 0.000000 
1 1 1    4    4    1 o  415.144   2.2977  1285.00   14.222  1253.45   22.238  1306.83   18.499  409.970   3.6381  418.635   2.9638 -8.664490 4.692560 
1 1 1    4    4    2 o  769.455   2.9785  4415.07   34.170  4404.89   48.195  4425.36   48.454  768.452   4.2065  770.235   4.2193 -1.782654 5.957913 
1 1 1    4    4    3 o  273.176   1.5449  556.381   6.2923  542.572   8.1511  576.747   9.8987  269.753   2.0267  278.109   2.3872 -8.355560 3.131470 
1 1 1    4    4    4 o  385.148   2.0430  1106.10   11.732  1097.29   14.314  1124.14   20.479  383.588   2.5027  388.185   3.5384 -4.597473 4.334016 
1 1 1    4    4    5 o   96.003   1.5704   68.716   2.2478   65.656   3.1831   71.760   3.1748   93.835   2.2752   98.101   2.1706 -4.266556 3.144484 
1 1 1    4    4    6 o  531.021   2.2774  2102.48   18.031  2107.00   25.570  2098.02   25.431  531.548   3.2264  530.414   3.2158 1.133606 4.555278 
1 1 1    4    4    7 o  690.720   3.2464  3557.63   33.433  3571.90   58.140  3550.58   40.865  691.917   5.6357  689.989   3.9723 1.927856 6.894927 
1 1 1    4    4    8 f  672.070   2.9749  3367.95   29.810  3388.90   45.931  3352.69   39.184  674.057   4.5702  670.492   3.9196 3.565002 6.020787 
1 1 1    4    4    9 o  112.921   2.2654   95.074   3.8140   92.938   5.0608   97.882   5.8026  111.638   3.0405  114.565   3.3970 -2.926720 4.558974 
1 1 1    4    4   10 o  220.495   1.9737  362.489   6.4884  359.650   8.5418  366.362   9.9764  219.619   2.6086  221.650   3.0188 -2.031189 3.989739 
1 1 1    4    4   11 o  442.260   2.0887  1458.44   13.773  1432.67   23.403  1472.10   17.036  438.244   3.5817  444.301   2.5716 -6.056824 4.409309 
1 1 1    4    4   12 o  155.257   2.0328  179.751   4.7055  188.755   9.5165  176.837   5.4136  159.029   4.0136  153.985   2.3580 5.043579 4.654989 
1 1 1    4    4   13 o  441.723   2.4341  1455.47   16.031  1451.63   30.017  1457.01   18.961  440.802   4.5673  441.903   2.8778 -1.100616 5.398321 
1 1 1    4    4   14 o  206.834   2.1402  319.114   6.6000  331.871   12.532  314.218   7.7641  210.771   3.9878  205.216   2.5375 5.554535 4.726697 
1 1 1    4    4   15 o  199.081   2.2468  295.707   6.6690  292.277   12.812  296.982   7.8106  197.699   4.3465  199.480   2.6261 -1.780930 5.078220 
1 1 1    4    4   16 o   82.292   3.1711   50.585   3.8908   59.504   7.5805   47.395   4.5335   88.869   5.7519   79.620   3.8189 9.248917 6.904243 
1 1 1    4    4   17 o   98.425   2.9313   72.361   4.3017   81.501   9.2546   69.842   4.8584  103.965   5.9958   96.667   3.3709 7.298012 6.878412 
1 1 1    4    4   18 o  124.908   2.8973  116.607   5.3958  130.965   11.466  112.523   6.1153  131.865   5.8317  122.649   3.3441 9.215721 6.722488 
1 1 1    4    4   19 o   45.602   5.7074   15.970   3.7955   16.635   10.372   15.867   4.0784   44.983   13.985   45.336   6.1957 -0.3537025 15.29568 
1 1 1    4    4   20 o  106.685   2.8314   85.367   4.5038   75.307   8.9711   88.756   5.2076   98.938   6.1115  108.687   3.2135 -9.749695 6.904865 
1 1 1    4    4   21 o   17.319   7.3655   0.3817   3.3265   1.2872   6.5989   0.0732   3.8516   24.132   10.321   18.116   7.8185 6.016500 12.94821 
1 1 1    4    5    0 o   33.443   7.2313   9.4226   3.1623   9.4226   3.1623   9.4226   3.1623   33.443   7.2313   33.443   7.2313 0.000000 0.000000 
1 1 1    4    5    1 o  416.127   2.1005  1291.13   13.032  1290.05   18.418  1292.22   18.443  415.915   2.9701  416.265   2.9715 -0.3497009 4.201383 
1 1 1    4    5    2 o  463.540   2.1039  1602.16   14.540  1597.31   22.230  1605.79   19.223  462.772   3.2218  464.029   2.7784 -1.256409 4.254362 
1 1 1    4    5    3 o  122.141   1.3978  111.228   2.5455  115.315   3.9722  108.380   3.3157  124.356   2.1424  120.563   1.8446 3.793510 2.827050 
1 1 1    4    5    4 o  270.554   1.7280  545.780   6.9706  546.628   9.9300  544.956   9.7874  270.743   2.4599  270.330   2.4283 0.4131775 3.456576 
1 1 1    4    5    5 o  259.837   1.6419  503.370   6.3608  507.217   9.8148  500.583   8.3523  260.810   2.5240  259.107   2.1620 1.703003 3.323362 
1 1 1    4    5    6 o  802.886   3.3904  4807.18   40.586  4818.94   62.254  4798.48   53.525  803.690   5.1952  802.062   4.4759 1.627991 6.857408 
1 1 1    4    5    7 o  254.657   1.9041  483.494   7.2297  463.001   12.334  494.220   8.9234  249.178   3.3199  257.460   2.3246 -8.281769 4.052867 
1 1 1    4    5    8 o  393.062   2.2842  1151.91   13.386  1162.81   19.158  1141.52   18.712  394.889   3.2539  391.259   3.2076 3.629791 4.569132 
1 1 1    4    5    9 o  322.835   2.4009  777.094   11.557  765.635   14.682  795.759   18.737  320.428   3.0730  326.646   3.8474 -6.217285 4.923999 
1 1 1    4    5   10 o  299.868   2.3994  670.496   10.728  654.738   13.647  695.983   17.356  296.302   3.0891  305.464   3.8107 -9.161469 4.905517 
1 1 1    4    5   11 o   55.110   4.2313   22.797   3.4502   33.581   6.0595   17.623   4.1969   66.765   6.1565   48.208   5.9664 18.55687 8.573291 
1 1 1    4    5   12 o   96.756   2.7233   69.832   3.9286   71.680   7.3704   69.099   4.6433   97.826   5.0706   96.235   3.2361 1.590767 6.015232 
1 1 1    4    5   13 o  229.928   1.9794  394.284   6.7857  391.070   11.091  396.207   8.5789  228.905   3.2496  230.458   2.4967 -1.553207 4.097964 
1 1 1    4    5   14 f  128.014   2.3031  122.258   4.3958  122.379   7.1606  122.184   5.5687  128.000   3.7520  127.947   2.9191 0.5275726E-01 4.753845 
1 1 1    4    5   15 o  113.887   2.5010   96.797   4.2469  110.157   9.2419   93.220   4.7816  121.285   5.1107  111.745   2.8700 9.540741 5.861410 
1 1 1    4    5   16 o  174.002   2.2248  225.938   5.7720  226.332   11.921  225.817   6.5968  173.865   4.5987  173.928   2.5438 -0.6336975E-01 5.255417 
1 1 1    4    5   17 o  186.092   2.6511  258.596   7.3556  274.020   13.256  251.734   8.8417  191.230   4.6493  183.532   3.2311 7.698181 5.661791 
1 1 1    4    5   18 o   74.982   4.0320   42.255   4.4911   53.550   9.6834   39.159   5.0693   83.573   7.8637   72.061   4.7448 11.51176 9.184292 
1 1 1    4    5   19 o   69.951   4.0113   36.890   4.1661   38.973   12.490   36.629   4.4192   68.739   12.654   69.649   4.2762 -0.9107819 13.35657 
1 1 1    4    5   20 o   64.620   3.9165   31.630   3.7556   23.106   7.4340   34.552   4.3517   52.981   9.7710   67.426   4.3520 -14.44548 10.69633 
1 1 1    4    5   21 o   24.927   7.9352   4.9726   3.3205   6.4516   6.7953   4.5087   3.8058   29.603   11.211   24.397   8.5117 5.205667 14.07617 
1 1 1    4    6    0 o  429.354   3.8501  1375.11   24.642  1375.11   24.642  1375.11   24.642  429.354   3.8501  429.354   3.8501 0.000000 0.000000 
1 1 1    4    6    1 o  339.154   2.0671  857.697   10.453  884.501   17.332  842.375   13.104  344.347   3.3758  336.088   2.6150 8.259094 4.270163 
1 1 1    4    6    2 o  299.044   1.9123  666.808   8.5264  658.350   10.965  679.742   13.560  297.121   2.4753  301.884   3.0126 -4.763519 3.899072 
1 1 1    4    6    3 f   35.367   2.9911   9.3960   1.5625   13.115   3.0400   8.0609   1.8215   41.617   4.9993   32.648   3.8138 8.968410 6.287937 
1 1 1    4    6    4 o  446.352   2.1075  1485.52   14.025  1489.40   21.552  1482.67   18.472  446.875   3.2347  445.891   2.7786 0.9840088 4.264206 
1 1 1    4    6    5 o  194.273   1.5601  281.382   4.5190  283.677   6.9824  279.728   5.9279  195.053   2.4009  193.695   2.0527 1.357910 3.158773 
1 1 1    4    6    6 f  459.089   2.3955  1571.45   16.397  1551.05   28.130  1581.95   20.180  456.029   4.1372  460.601   2.9385 -4.571899 5.074542 
1 1 1    4    6    7 o  308.613   2.0320  710.093   9.3497  695.709   13.108  724.992   13.341  305.456   2.8781  311.818   2.8695 -6.362427 4.064148 
1 1 1    4    6    8 o  309.430   2.0916  713.874   9.6495  721.095   13.803  706.972   13.495  310.971   2.9770  307.911   2.9396 3.059326 4.183743 
1 1 1    4    6    9 o  151.156   2.5008  170.364   5.6361  171.606   7.2716  168.495   8.9200  151.697   3.2150  150.302   3.9804 1.394547 5.116638 
1 1 1    4    6   10 o  113.005   2.9124   95.235   4.9070  100.835   6.2525   86.253   7.9180  116.269   3.6068  107.508   4.9397 8.760902 6.116342 
1 1 1    4    6   11 f  226.483   2.3618  382.524   7.9752  382.727   12.786  382.394   10.203  226.482   3.7864  226.419   3.0224 0.6243896E-01 4.844804 
1 1 1    4    6   12 o  269.253   2.0693  540.661   8.3072  533.707   12.674  545.899   10.999  267.448   3.1784  270.517   2.7271 -3.069214 4.187978 
1 1 1    4    6   13 o  172.944   2.5504  223.143   6.5762  214.358   8.4370  236.744   10.498  169.459   3.3393  178.040   3.9546 -8.581833 5.175833 
1 1 1    4    6   14 o  145.308   2.3375  157.533   5.0642  152.451   7.7677  161.290   6.6786  142.863   3.6467  146.990   3.0474 -4.126617 4.752410 
1 1 1    4    6   15 o  101.686   2.8729   77.199   4.3557   77.142   8.1553   77.221   5.1520  101.312   5.4186  101.670   3.3987 -0.3581238 6.396271 
1 1 1    4    6   16 o  137.787   2.6029  141.737   5.3473  152.665   10.463  137.874   6.2210  142.735   4.9167  135.857   3.0712 6.877884 5.797085 
1 1 1    4    6   17 f  178.058   4.5174  237.568   11.993   0.0000   0.0000  237.568   11.993  ?   ?   178.058   4.5174 0.000000 4.517432 
1 1 1    4    6   18 o   63.601   4.7528   30.560   4.4744   33.586   8.3072   29.323   5.3105   65.733   8.6893   62.090   5.8038 3.642982 10.44931 
1 1 1    4    6   19 o   54.170   5.0597   22.367   4.0392   40.127   8.7525   17.561   4.5530   71.577   8.3589   47.550   6.6002 24.02703 10.65047 
1 1 1    4    6   20 o   72.768   4.0260   40.155   4.3510   43.179   8.4715   39.071   5.0710   73.798   7.8182   71.527   4.7826 2.271324 9.164986 
1 1 1    4    6   21 o   44.718   5.1913   15.605   3.3969   18.198   6.6339   14.683   3.9546   45.882   9.9814   42.885   6.3791 2.996777 11.84573 
1 1 1    4    7    0 o  516.644   4.4093  1991.39   33.959  1991.39   33.959  1991.39   33.959  516.644   4.4093  516.644   4.4093 0.000000 0.000000 
1 1 1    4    7    1 o  116.902   1.5808  101.893   2.7553  102.467   3.6815  101.161   4.1544  117.224   2.1064  116.471   2.3923 0.7536697 3.187492 
1 1 1    4    7    2 o  166.891   1.5385  207.663   3.8282  204.096   5.3046  211.540   5.5301  165.441   2.1505  168.430   2.2021 -2.989334 3.077997 
1 1 1    4    7    3 o  432.169   2.4199  1392.71   15.593  1391.61   25.040  1393.42   19.928  431.908   3.8884  432.242   3.0922 -0.3340759 4.967999 
1 1 1    4    7    4 o  260.023   1.6085  504.084   6.2361  503.776   9.6078  504.309   8.1976  259.928   2.4791  260.073   2.1141 -0.1449585 3.258144 
1 1 1    4    7    5 o  422.334   2.0750  1329.86   13.066  1314.81   19.862  1341.34   17.348  419.904   3.1724  424.133   2.7434 -4.229767 4.194091 
1 1 1    4    7    6 o  530.448   2.4538  2097.95   19.407  2113.69   29.977  2086.58   25.462  532.378   3.7766  528.979   3.2284 3.398438 4.968410 
1 1 1    4    7    7 o  284.971   1.8391  605.453   7.8142  597.787   11.957  611.167   10.323  283.144   2.8324  286.303   2.4184 -3.159180 3.724435 
1 1 1    4    7    8 o  129.160   2.4249  124.388   4.6698  134.534   6.2625  111.681   7.0085  134.317   3.1272  122.368   3.8414 11.94837 4.953311 
1 1 1    4    7    9 o  155.805   2.2646  181.002   5.2607  170.654   7.2753  192.342   7.6159  151.272   3.2257  160.598   3.1806 -9.325943 4.530033 
1 1 1    4    7   10 o   60.111   4.0360   27.080   3.5962   30.493   5.2623   24.090   4.9260   63.662   5.6010   56.487   5.9379 7.175117 8.162724 
1 1 1    4    7   11 o  182.681   2.0465  248.860   5.5740  242.883   8.6294  253.140   7.3016  180.436   3.2077  184.227   2.6582 -3.791290 4.165982 
1 1 1    4    7   12 o   35.858   5.6052   9.8437   2.8986   6.7497   4.6197   11.853   3.7226   30.048   9.3316   39.263   6.5927 -9.215446 11.42549 
1 1 1    4    7   13 o   44.938   4.7835   15.268   3.1557   17.819   5.1620   13.745   3.9876   48.171   7.4259   42.339   6.5265 5.832066 9.886290 
1 1 1    4    7   14 o  245.630   2.1509  450.111   7.8772  448.217   12.128  451.493   10.360  244.989   3.3203  245.941   2.8252 -0.9527893 4.359598 
1 1 1    4    7   15 o  117.563   2.5183  103.161   4.4141  107.908   8.8171  101.573   5.0992  120.030   4.9268  116.630   2.9324 3.400650 5.733423 
1 1 1    4    7   16 o  141.754   2.3126  149.979   4.8878  157.599   8.9237  146.713   5.8420  145.123   4.1242  140.164   2.7955 4.959351 4.982321 
1 1 1    4    7   17 o  149.608   3.0589  167.280   6.8232  159.920   15.209  169.134   7.6346  145.504   7.0107  150.390   3.4049 -4.886017 7.793757 
1 1 1    4    7   18 o   29.855   8.5009   7.0060   3.9660  -2.4217   7.6364   10.488   4.6411   23.830   10.619   36.284   8.6930 -12.45414 13.72363 
1 1 1    4    7   19 o  115.132   2.9069   99.327   4.9899   95.646   13.056   99.957   5.3998  110.898   7.9491  115.448   3.1371 -4.549774 8.545723 
1 1 1    4    7   20 o   35.772   7.3400   10.352   3.7836   15.422   7.3261   8.5074   4.4184   42.169   11.386   32.056   8.9188 10.11280 14.46311 
1 1 1    4    7   21 o   48.694   4.7896   18.393   3.4324   18.304   6.8299   18.423   3.9701   45.632   10.285   48.393   5.6062 -2.761826 11.71354 
1 1 1    4    8    0 o  241.486   2.3079  434.908   8.3077  434.908   8.3077  434.908   8.3077  241.486   2.3079  241.486   2.3079 0.000000 0.000000 
1 1 1    4    8    1 o  170.185   1.5480  215.939   3.9280  207.987   5.4214  224.726   5.6990  167.012   2.1772  173.603   2.2018 -6.590363 3.096425 
1 1 1    4    8    2 o  230.758   1.6450  397.012   5.6598  394.185   7.9015  399.991   8.1108  229.923   2.3049  231.609   2.3488 -1.686127 3.290810 
1 1 1    4    8    3 o  288.467   2.2320  620.450   9.5997  603.157   13.540  637.929   13.613  284.393   3.1932  292.478   3.1216 -8.085175 4.465509 
1 1 1    4    8    4 o  381.640   1.9323  1085.92   10.995  1081.40   16.872  1089.25   14.495  380.816   2.9716  382.210   2.5436 -1.393433 3.911584 
1 1 1    4    8    5 o  421.468   3.1783  1324.61   19.972   0.0000   0.0000  1324.61   19.972  ?   ?   421.468   3.1783 0.000000 3.178259 
1 1 1    4    8    6 o  305.580   1.8369  696.191   8.3692  696.300   12.927  696.113   10.981  305.585   2.8372  305.553   2.4104 0.3192139E-01 3.722913 
1 1 1    4    8    7 o  366.038   2.0244  998.946   11.048  982.484   16.826  1011.42   14.648  362.981   3.1090  368.301   2.6675 -5.319733 4.096544 
1 1 1    4    8    8 o  205.021   1.9010  313.392   5.8110  318.010   9.0218  310.117   7.5967  206.510   2.9301  203.939   2.4984 2.571442 3.850605 
1 1 1    4    8    9 o  197.171   1.9813  289.865   5.8245  296.354   9.0988  285.360   7.5815  199.344   3.0613  195.622   2.5994 3.722214 4.016011 
1 1 1    4    8   10 o  187.758   2.1779  262.877   6.0968  270.082   8.9668  256.681   8.3146  190.286   3.1605  185.509   3.0061 4.776077 4.361842 
1 1 1    4    8   11 o  351.338   2.3211  920.614   12.159  897.141   20.955  932.527   14.929  346.678   4.0541  353.567   2.8320 -6.889252 4.945239 
1 1 1    4    8   12 o   63.276   3.7039   29.995   3.4791   30.414   5.8705   29.767   4.3194   63.429   6.2904   62.947   4.6349 0.4820976 7.813560 
1 1 1    4    8   13 f  172.878   2.0306  222.929   5.2341  233.788   8.6040  216.550   6.5947  176.959   3.2611  170.356   2.5964 6.602737 4.168418 
1 1 1    4    8   14 o  114.891   2.8911   98.544   4.9524  102.966   7.2277   94.630   6.7994  117.354   4.1308  112.509   4.0533 4.844490 5.787315 
1 1 1    4    8   15 o  141.982   2.4984  150.473   5.2889  151.807   8.2082  149.527   6.9161  142.483   3.8638  141.469   3.2789 1.013794 5.067551 
1 1 1    4    8   16 o   92.587   2.8495   64.027   3.9336   64.406   7.0660   63.856   4.7351   92.523   5.1424   92.424   3.4362 0.9915924E-01 6.184833 
1 1 1    4    8   17 o   97.136   3.2042   70.551   4.6405   70.445   7.5878   70.614   5.8652   96.673   5.2843   97.092   4.0516 -0.4188385 6.658795 
1 1 1    4    8   18 f  173.725   2.5146  225.599   6.5132  247.587   13.258  218.604   7.4778  181.310   4.9044  170.927   2.9342 10.38293 5.715104 
1 1 1    4    8   19 o   68.620   4.1980   35.655   4.2743   21.832   12.021   37.655   4.5732   49.682   14.983   70.480   4.3735 -20.79838 15.60793 
1 1 1    4    8   20 o   80.175   3.5610   48.556   4.2568   44.746   7.4570   50.398   5.1846   75.468   6.6968   81.335   4.2905 -5.866814 7.953317 
1 1 1    4    8   21 f   65.833   3.8592   33.136   3.7715   40.892   7.8035   30.772   4.3080   70.836   7.5029   63.097   4.6113 7.739353 8.806620 
1 1 1    4    9    0 o  182.127   2.2045  247.409   5.9844  247.409   5.9844  247.409   5.9844  182.127   2.2045  182.127   2.2045 0.000000 0.000000 
1 1 1    4    9    1 o  331.937   1.9120  821.500   9.4627  816.978   13.267  826.182   13.500  331.001   2.6883  332.860   2.7203 -1.858398 3.824507 
1 1 1    4    9    2 o  210.087   1.8102  329.068   5.6703  329.422   7.3911  328.563   8.8400  210.192   2.3584  209.910   2.8246 0.2825928 3.679717 
1 1 1    4    9    3 o  544.795   2.9007  2213.18   23.562  2262.79   38.097  2182.45   29.984  550.759   4.6394  540.955   3.7175 9.803955 5.945090 
1 1 1    4    9    4 o  243.816   2.1514  443.222   7.8207  427.788   14.610  449.420   9.2590  239.493   4.0915  245.509   2.5295 -6.015900 4.810250 
1 1 1    4    9    5 o  282.926   1.9227  596.800   8.1106  622.122   11.829  574.333   11.142  288.851   2.7466  277.536   2.6926 11.31479 3.846314 
1 1 1    4    9    6 o   62.436   2.9992   29.068   2.7920   22.676   5.0071   31.952   3.3634   54.769   6.2433   65.366   3.4635 -10.59740 7.139626 
1 1 1    4    9    7 o  569.823   2.8296  2421.19   24.040  2428.85   34.326  2413.82   33.680  570.648   4.0345  568.885   3.9708 1.763123 5.660733 
1 1 1    4    9    8 o  188.801   2.0858  265.776   5.8714  274.206   8.4663  257.965   8.1496  191.757   2.9613  185.992   2.9388 5.764984 4.171995 
1 1 1    4    9    9 o  215.271   2.0978  345.545   6.7333  334.418   9.4771  356.888   9.5682  211.754   3.0017  218.754   2.9336 -7.000458 4.197215 
1 1 1    4    9   10 o  234.897   2.3233  411.482   8.1368  400.693   12.755  418.885   10.566  231.734   3.6917  236.973   2.9904 -5.239014 4.750938 
1 1 1    4    9   11 o  229.145   2.1587  391.606   7.3751  391.878   12.890  391.474   8.9925  229.124   3.7731  229.083   2.6328 0.4118347E-01 4.600873 
1 1 1    4    9   12 o  123.396   2.4486  113.595   4.5049  112.272   6.4422  114.860   6.3019  122.628   3.5235  124.039   3.4076 -1.410980 4.901726 
1 1 1    4    9   13 o  177.301   2.3011  234.536   6.0830  234.012   8.6574  235.047   8.5489  177.030   3.2800  177.426   3.2317 -0.3951416 4.604529 
1 1 1    4    9   14 o  176.803   2.2257  233.246   5.8671  218.305   8.8042  245.181   7.8689  170.936   3.4545  181.211   2.9125 -10.27448 4.518417 
1 1 1    4    9   15 o   74.399   3.5448   41.378   3.9321   42.534   7.4128   40.925   4.6385   74.876   6.7113   73.828   4.2316 1.048073 7.933909 
1 1 1    4    9   16 o  182.344   2.1273  248.150   5.7835  247.874   10.036  248.287   7.0768  182.036   3.6975  182.344   2.6030 -0.3074493 4.521889 
1 1 1    4    9   17 o  173.596   2.3837  225.071   6.1698  232.550   10.338  220.934   7.6892  176.178   3.9357  171.901   3.0001 4.276672 4.948761 
1 1 1    4    9   18 o   71.257   3.5870   38.182   3.7988   37.135   6.8868   38.640   4.5543   69.521   6.7282   71.553   4.2887 -2.032089 7.978833 
1 1 1    4    9   19 o  121.383   2.7989  110.506   5.0654  124.710   14.375  108.492   5.4126  126.292   7.6706  120.213   3.0199 6.079567 8.243640 
1 1 1    4    9   20 o   20.372   7.9558   2.2957   3.4960   5.8957   5.9812   0.4275   4.3087   28.371   10.565   19.445   8.3288 8.926489 13.45330 
1 1 1    4    9   21 f   32.265   7.1570   8.6883   3.3528   11.248   6.5261   7.7703   3.9080   34.940   11.125   30.066   8.3959 4.873852 13.93738 
1 1 1    4   10    0 o  425.690   3.1416  1351.33   19.937  1351.33   19.937  1351.33   19.937  425.690   3.1416  425.690   3.1416 0.000000 0.000000 
1 1 1    4   10    1 o  438.204   2.2355  1431.72   14.606  1428.70   20.926  1434.59   20.395  437.707   3.2065  438.612   3.1187 -0.9047852 4.473036 
1 1 1    4   10    2 o  355.009   2.1865  939.683   11.573  962.356   18.219  924.345   14.985  359.230   3.4016  352.082   2.8546 7.148010 4.440686 
1 1 1    4   10    3 o  340.058   2.0005  862.177   10.143  881.457   14.557  843.982   14.141  343.820   2.8396  336.432   2.8191 7.387543 4.001312 
1 1 1    4   10    4 o  206.570   1.7908  318.135   5.5154  316.149   7.7157  320.211   7.8870  205.915   2.5131  207.233   2.5526 -1.317978 3.582138 
1 1 1    4   10    5 o  174.202   2.0653  226.256   5.3641  243.705   9.0398  216.773   6.6642  180.777   3.3539  170.507   2.6214 10.27065 4.256782 
1 1 1    4   10    6 o  289.812   1.9844  626.218   8.5749  628.263   15.133  625.250   10.407  290.249   3.4969  289.580   2.4103 0.6686401 4.247141 
1 1 1    4   10    7 f  222.812   1.8491  370.141   6.1430  385.513   9.7171  359.909   7.9283  227.373   2.8663  219.701   2.4203 7.671539 3.751529 
1 1 1    4   10    8 o  114.141   2.2626   97.145   3.8505   98.984   6.0444   95.889   4.9953  115.199   3.5191  113.392   2.9546 1.806999 4.594992 
1 1 1    4   10    9 f  145.607   2.1075  158.093   4.5753  154.428   7.0953  160.702   5.9861  143.883   3.3075  146.790   2.7351 -2.907883 4.291882 
1 1 1    4   10   10 o  253.952   2.1378  480.950   8.0943  502.234   11.809  462.087   11.117  259.462   3.0526  248.879   2.9958 10.58275 4.277041 
1 1 1    4   10   11 o  282.024   2.1872  593.246   9.1969  589.859   16.140  594.874   11.192  281.068   3.8514  282.377   2.6582 -1.308807 4.679698 
1 1 1    4   10   12 o  188.303   2.0549  264.487   5.7693  270.177   9.0453  260.585   7.4908  190.242   3.1889  186.871   2.6885 3.370239 4.171040 
1 1 1    4   10   13 f  129.814   2.5696  125.764   4.9735  129.139   7.1595  122.616   6.9141  131.471   3.6524  128.110   3.6198 3.361237 5.142261 
1 1 1    4   10   14 o   91.866   3.3467   63.055   4.5839   62.904   7.2859   63.154   5.8974   91.440   5.3677   91.871   4.3054 -0.4308777 6.881007 
1 1 1    4   10   15 o  130.048   2.7407  126.300   5.3142  148.899   9.8686  117.071   6.3068  140.967   4.6953  125.150   3.3799 15.81745 5.785325 
1 1 1    4   10   16 o   93.295   3.5776   65.111   4.9764   68.584   7.3595   62.184   6.7548   95.432   5.1918   90.890   5.0038 4.542030 7.210639 
1 1 1    4   10   17 o   61.745   5.0508   28.871   4.6091   31.530   6.8082   26.622   6.2624   64.036   7.2590   58.765   7.3050 5.270618 10.29840 
1 1 1    4   10   18 o   61.742   4.2782   28.838   3.9140   40.733   7.7086   24.707   4.5433   72.555   7.2218   56.863   5.4246 15.69143 9.032196 
1 1 1    4   10   19 o   48.669   5.1843   18.263   3.7041   6.1828   10.061   20.157   3.9839   32.756   13.262   51.117   5.3044 -18.36141 14.28332 
1 1 1    4   10   20 o  100.262   3.1227   75.870   4.6680   83.675   8.9755   72.977   5.4654  103.579   5.8357   98.071   3.7377 5.507309 6.930059 
1 1 1    4   11    0 o  197.999   2.3935  292.409   7.0636  292.409   7.0636  292.409   7.0636  197.999   2.3935  197.999   2.3935 0.000000 0.000000 
1 1 1    4   11    1 o  105.085   1.7303   82.331   2.7111   85.681   4.0175   79.529   3.6736  107.197   2.5136  103.278   2.3857 3.919106 3.465532 
1 1 1    4   11    2 o  503.105   2.5306  1887.29   18.983  1899.61   26.887  1875.03   26.804  504.700   3.5731  501.423   3.5853 3.277069 5.061752 
1 1 1    4   11    3 o  325.073   2.0029  787.867   9.7076  773.305   13.443  803.737   14.033  322.038   2.7997  328.312   2.8668 -6.273743 4.007152 
1 1 1    4   11    4 o  317.137   2.0050  749.866   9.4805  758.688   13.473  741.213   13.343  318.979   2.8329  315.283   2.8384 3.695160 4.010259 
1 1 1    4   11    5 o  497.217   2.5544  1843.39   18.937  1861.48   27.038  1825.97   26.530  499.602   3.6298  494.814   3.5960 4.787170 5.109478 
1 1 1    4   11    6 o  260.290   1.9967  505.144   7.7489  511.062   11.050  499.418   10.869  261.793   2.8310  258.794   2.8169 2.999207 3.993685 
1 1 1    4   11    7 o  489.346   2.8520  1785.72   20.808  1741.12   32.270  1817.46   27.224  483.083   4.4803  493.622   3.6990 -10.53922 5.809917 
1 1 1    4   11    8 o  458.949   2.5125  1570.77   17.193  1562.54   24.267  1579.06   24.361  457.671   3.5562  460.085   3.5514 -2.414215 5.025829 
1 1 1    4   11    9 o  243.643   2.0653  442.665   7.5026  440.196   12.914  443.923   9.2178  242.892   3.5659  243.971   2.5341 -1.078888 4.374631 
1 1 1    4   11   10 f  215.610   2.1092  346.703   6.7805  339.579   9.5665  353.894   9.6117  213.337   3.0076  217.790   2.9600 -4.453262 4.219843 
1 1 1    4   11   11 o  170.292   2.0341  216.295   5.1646  218.730   8.0716  214.607   6.7203  171.186   3.1624  169.596   2.6577 1.590393 4.130898 
1 1 1    4   11   12 o   95.572   2.6219   68.163   3.7361   62.916   5.7458   72.007   4.9176   91.745   4.2004   98.197   3.3588 -6.451889 5.378223 
1 1 1    4   11   13 o  154.706   2.3791  178.609   5.4876  188.476   8.0281  169.956   7.5184  158.838   3.3899  150.836   3.3431 8.001282 4.761066 
1 1 1    4   11   14 o   86.615   3.1948   56.052   4.1259   58.546   6.5047   54.373   5.3368   88.246   4.9640   85.240   4.1992 3.006134 6.501899 
1 1 1    4   11   15 o  132.379   2.6272  130.864   5.1854  130.134   9.7778  131.149   6.1164  131.720   4.9787  132.480   3.0965 -0.7599030 5.863126 
1 1 1    4   11   16 o  176.954   2.2969  233.798   6.0600  243.570   10.042  228.200   7.5999  180.382   3.7338  174.739   2.9171 5.643341 4.738234 
1 1 1    4   11   17 o  162.116   2.7738  196.553   6.7047  199.937   9.5924  193.321   9.3750  163.241   3.9412  160.523   3.9171 2.717194 5.556679 
1 1 1    4   11   18 o   28.705   7.6595   6.5966   3.3390   2.4242   6.2967   8.2289   3.9384   25.454   10.421   31.942   8.2212 -6.487457 13.27379 
1 1 1    4   11   19 o   90.948   3.0050   62.220   4.0748   64.156   8.5799   61.656   4.6303   90.743   6.3823   90.411   3.4349 0.3312149 7.247897 
1 1 1    4   11   20 o   53.952   4.7231   22.541   3.7610   32.481   7.4961   19.197   4.3479   62.689   8.2179   49.167   6.0593 13.52227 10.21021 
1 1 1    4   12    0 o  683.719   4.5281  3486.38   46.155  3486.38   46.155  3486.38   46.155  683.719   4.5281  683.719   4.5281 0.000000 0.000000 
1 1 1    4   12    1 o  183.136   1.6416  250.046   4.4824  250.778   6.8488  249.498   5.9286  183.394   2.5047  182.929   2.1737 0.4644623 3.316410 
1 1 1    4   12    2 o  197.375   2.0863  290.456   6.1396  307.084   10.540  281.917   7.5534  202.923   3.4836  194.445   2.6054 8.477798 4.350169 
1 1 1    4   12    3 o  244.928   1.8747  447.262   6.8462  454.109   9.6489  440.320   9.7153  246.783   2.6224  243.006   2.6815 3.776794 3.750597 
1 1 1    4   12    4 o  460.759   2.4312  1582.95   16.702  1617.66   24.024  1550.48   23.236  465.741   3.4597  455.969   3.4178 9.771637 4.863215 
1 1 1    4   12    5 o  444.251   2.6518  1471.64   17.565  1514.98   28.536  1445.20   22.287  450.660   4.2469  440.208   3.3957 10.45227 5.437547 
1 1 1    4   12    6 o  158.399   1.9214  187.072   4.5378  195.842   7.2619  181.453   5.8122  162.053   3.0056  155.994   2.4990 6.058258 3.908756 
1 1 1    4   12    7 o  121.858   2.3767  110.731   4.3182  118.310   8.0749  107.696   5.1103  125.920   4.3010  120.169   2.8522 5.750397 5.160809 
1 1 1    4   12    8 o  375.256   2.2989  1050.13   12.862  1062.87   18.488  1038.17   17.906  377.460   3.2850  373.054   3.2193 4.406250 4.599504 
1 1 1    4   12    9 o  213.873   2.1070  341.125   6.7189  343.680   9.4980  338.566   9.5060  214.633   2.9680  213.029   2.9929 1.604324 4.215034 
1 1 1    4   12   10 o  194.111   2.1026  281.030   6.0853  280.421   8.6638  281.624   8.5492  193.852   2.9976  194.270   2.9515 -0.4181976 4.206772 
1 1 1    4   12   11 o   67.423   3.4081   34.030   3.4149   33.197   4.9514   34.786   4.7161   66.425   5.0369   68.046   4.6768 -1.621208 6.873378 
1 1 1    4   12   12 o  155.696   2.1586  180.857   5.0109  179.600   7.7946  181.742   6.5418  155.067   3.3714  156.034   2.8119 -0.9674072 4.390113 
1 1 1    4   12   13 o   46.770   4.8298   16.556   3.3195   20.567   5.2496   13.884   4.2849   51.819   6.9715   42.399   7.0240 9.420193 9.896384 
1 1 1    4   12   14 o  115.682   2.8265   99.951   4.8752  101.584   7.0628   98.464   6.7377  116.506   4.0659  114.717   3.9392 1.789162 5.661228 
1 1 1    4   12   15 o   90.339   3.8432   61.078   5.1765   0.0000   0.0000   61.078   5.1765  ?   ?    90.339   3.8432 0.000000 3.843224 
1 1 1    4   12   16 o  130.221   2.6109  126.706   5.0693  140.960   8.6661  119.292   6.2501  137.095   4.2397  126.265   3.3200 10.82966 5.384886 
1 1 1    4   12   17 o   84.245   3.5549   53.233   4.4652   58.296   7.0405   49.826   5.7753   87.650   5.4139   81.167   4.7936 6.483185 7.231103 
1 1 1    4   12   18 o   84.320   3.1529   53.403   3.9639   54.080   6.4868   52.999   5.0075   84.166   5.1946   83.808   4.0074 0.3573074 6.560735 
1 1 1    4   12   19 o   46.332   5.6274   16.792   3.8075   12.412   7.2888   18.435   4.4652   37.535   11.732   48.276   6.3583 -10.74093 13.34416 
1 1 1    4   12   20 o   14.806   6.7368  -1.5193   3.2613  -3.0657   6.4375  -0.9854   3.7826   20.011   9.2376   16.588   7.4271 3.422831 11.85301 
1 1 1    4   13    0 o  228.495   2.6236  389.413   8.9353  389.413   8.9353  389.413   8.9353  228.495   2.6236  228.495   2.6236 0.000000 0.000000 
1 1 1    4   13    1 o  269.509   1.8563  541.543   7.4593  551.635   10.957  532.825   10.183  271.992   2.7019  267.318   2.5550 4.674225 3.718657 
1 1 1    4   13    2 o  230.828   2.1459  397.263   7.3854  402.567   12.261  394.242   9.2524  232.336   3.5394  229.940   2.6988 2.396713 4.450903 
1 1 1    4   13    3 o  201.209   2.0168  301.853   6.0504  316.046   8.1738  284.651   8.9986  205.875   2.6629  195.374   3.0891 10.50105 4.078436 
1 1 1    4   13    4 o  372.680   2.4508  1035.63   13.618  1038.52   21.853  1033.80   17.413  373.135   3.9280  372.325   3.1367 0.8100586 5.026726 
1 1 1    4   13    5 o  234.334   1.9984  409.432   6.9821  423.981   9.9635  395.393   9.7872  238.443   2.8026  230.262   2.8508 8.180435 3.997677 
1 1 1    4   13    6 o  226.081   2.0204  381.113   6.8102  397.167   9.7964  366.099   9.4739  230.771   2.8472  221.560   2.8679 9.210312 4.041216 
1 1 1    4   13    7 f  119.065   2.3670  105.721   4.2020  109.154   7.6447  104.234   5.0300  120.938   4.2396  118.216   2.8538 2.721527 5.110626 
1 1 1    4   13    8 o  239.356   1.8994  427.221   6.7785  432.452   10.455  423.428   8.9034  240.771   2.9124  238.266   2.5063 2.504715 3.842288 
1 1 1    4   13    9 o  190.021   2.1223  269.304   6.0127  271.065   8.4932  267.535   8.5132  190.598   2.9887  189.351   3.0155 1.246918 4.245659 
1 1 1    4   13   10 o  167.627   2.1675  209.602   5.4172  214.542   7.8413  205.092   7.4927  169.537   3.1021  165.766   3.0316 3.770966 4.337449 
1 1 1    4   13   11 o  201.148   2.0158  301.820   6.0454  307.675   9.5453  297.899   7.8118  202.995   3.1538  199.792   2.6224 3.202911 4.101648 
1 1 1    4   13   12 o  140.689   2.2282  147.695   4.6739  153.445   7.4686  143.994   5.9924  143.304   3.4955  138.870   2.8942 4.433258 4.538147 
1 1 1    4   13   13 o   78.014   3.7105   45.511   4.3159   49.795   6.8815   42.734   5.5412   81.235   5.7181   75.344   4.9605 5.890686 7.569865 
1 1 1    4   13   14 o  124.538   2.8110  115.855   5.2196  120.553   7.5497  111.553   7.2243  126.909   3.9900  122.082   3.9689 4.826759 5.627816 
1 1 1    4   13   15 o   48.477   5.9256   17.954   4.1937   8.9512   7.2039   22.569   5.1578   34.865   11.724   54.315   6.4981 -19.44946 13.40433 
1 1 1    4   13   16 o  204.266   2.3850  311.742   7.2638  298.620   11.235  321.167   9.5216  199.589   3.7753  207.178   3.0825 -7.588654 4.873864 
1 1 1    4   13   17 o   41.975   6.7867   13.794   4.1024   20.454   7.1393   10.511   5.0126   50.241   9.8829   36.003   9.2795 14.23745 13.55656 
1 1 1    4   13   18 o   43.398   5.5297   14.635   3.4967   18.440   5.9886   12.667   4.3072   47.508   8.7779   39.645   7.5629 7.863667 11.58652 
1 1 1    4   13   19 o   70.809   3.5916   38.094   3.7794   41.727   6.1473   35.887   4.7921   73.109   5.6842   68.247   4.7388 4.861488 7.400454 
1 1 1    4   13   20 o   56.402   3.9740   24.506   3.3205   24.500   5.4943   24.509   4.1678   54.698   6.8899   55.855   5.0595 -1.156628 8.548060 
1 1 1    4   14    0 o  158.293   2.7756  186.990   6.5463  186.990   6.5463  186.990   6.5463  158.293   2.7756  158.293   2.7756 0.000000 0.000000 
1 1 1    4   14    1 o  618.718   4.1716  2855.61   38.482   0.0000   0.0000  2855.61   38.482  ?   ?   618.718   4.1716 0.000000 4.171556 
1 1 1    4   14    2 o  400.545   2.2875  1196.27   13.661  1222.36   19.439  1170.81   19.202  404.851   3.2203  396.220   3.2504 8.630249 4.575554 
1 1 1    4   14    3 o  598.793   2.9373  2673.88   26.224  2707.54   37.403  2641.34   36.777  602.447   4.1641  595.037   4.1453 7.409180 5.875682 
1 1 1    4   14    4 o  295.160   2.6275  649.662   11.563  685.104   16.255  613.358   16.452  303.065   3.5974  286.746   3.8481 16.31937 5.267784 
1 1 1    4   14    5 o  333.951   2.1476  831.586   10.693  852.216   15.270  811.737   14.978  338.028   3.0299  329.902   3.0452 8.126343 4.295716 
1 1 1    4   14    6 o  389.911   2.2983  1133.74   13.361  1139.42   18.971  1128.15   18.820  390.822   3.2556  388.885   3.2459 1.937012 4.597293 
1 1 1    4   14    7 o  129.099   2.2048  124.294   4.2439  124.259   7.1799  124.313   5.2613  129.035   3.7320  129.096   2.7335 -0.6072998E-01 4.625942 
1 1 1    4   14    8 o  121.414   2.1710  109.946   3.9301  112.069   6.0634  108.409   5.1609  122.542   3.3187  120.541   2.8716 2.001221 4.388560 
1 1 1    4   14    9 o   87.714   2.8630   57.415   3.7442   50.848   5.1801   64.600   5.4182   82.388   4.2313   93.000   3.9075 -10.61171 5.759575 
1 1 1    4   14   10 o  138.568   2.3046  143.257   4.7614  154.090   8.6828  138.598   5.6938  143.591   4.0557  136.270   2.8024 7.320999 4.929692 
1 1 1    4   14   11 o   87.106   2.9544   56.652   3.8370   47.448   6.8494   60.861   4.6320   79.328   5.8320   90.259   3.4420 -10.93121 6.771953 
1 1 1    4   14   12 o   84.658   2.8921   53.523   3.6505   59.734   5.8012   49.452   4.6969   89.335   4.3554   81.317   3.8740 8.017426 5.829045 
1 1 1    4   14   13 o  105.783   2.9320   83.596   4.6244   84.079   6.5258   83.109   6.5541  105.977   4.1300  105.360   4.1722 0.6173096 5.870604 
1 1 1    4   14   14 o   95.518   3.2772   68.217   4.6672   76.592   6.8485   60.954   6.3775  101.075   4.5444   90.019   4.7687 11.05643 6.587265 
1 1 1    4   14   15 o  197.104   2.3619  290.159   6.9411  282.823   13.077  293.036   8.1901  194.118   4.5182  198.009   2.7742 -3.890533 5.301931 
1 1 1    4   14   16 o   53.781   4.6079   21.927   3.6592   22.259   5.9057   21.719   4.6620   53.442   7.6281   53.225   5.9781 0.2173500 9.691542 
1 1 1    4   14   17 o   50.894   4.7749   19.778   3.5809   28.992   6.3811   15.542   4.3264   60.918   7.1622   44.517   6.7281 16.40102 9.826758 
1 1 1    4   14   18 f   59.120   3.8879   26.580   3.4079   24.655   5.8940   27.547   4.1769   55.580   7.2882   59.917   4.7136 -4.337082 8.679615 
1 1 1    4   14   19 o   75.130   3.2571   42.742   3.6485   35.180   5.7590   47.813   4.7156   66.808   5.8403   79.051   4.0141 -12.24252 7.086750 
1 1 1    4   15    0 o  337.676   3.0348  850.402   15.276  850.402   15.276  850.402   15.276  337.676   3.0348  337.676   3.0348 0.000000 0.000000 
1 1 1    4   15    1 o  393.514   2.5708  1154.74   15.083  1186.12   25.348  1137.55   18.767  398.723   4.2639  390.540   3.2230 8.182770 5.344978 
1 1 1    4   15    2 o  265.516   2.0267  525.659   8.0233  520.784   11.102  530.989   11.608  264.259   2.8177  266.832   2.9179 -2.572876 4.056282 
1 1 1    4   15    3 o  441.010   2.6657  1450.42   17.528  1454.55   27.548  1447.61   22.720  441.522   4.1848  440.530   3.4591 0.9924316 5.429343 
1 1 1    4   15    4 o   68.964   3.7389   35.588   3.8301   40.025   4.5505   24.805   7.0932   73.117   4.1916   56.928   8.6273 16.18957 9.591685 
1 1 1    4   15    5 o  117.639   2.3386  103.204   4.1017  109.145   5.8913   97.615   5.7143  120.956   3.2667  114.387   3.3505 6.569199 4.679466 
1 1 1    4   15    6 o  109.672   2.5566   89.714   4.1805   90.459   6.4832   89.185   5.4695  110.087   3.9499  109.327   3.3554 0.7593002 5.182726 
1 1 1    4   15    7 o  179.830   2.2842  241.206   6.1246  247.333   7.9411  232.211   9.6218  182.070   2.9253  176.374   3.6589 5.695755 4.684546 
1 1 1    4   15    8 o  241.474   1.9164  434.887   6.8998  440.950   10.698  430.569   9.0287  243.077   2.9518  240.233   2.5207 2.843842 3.881600 
1 1 1    4   15    9 o  102.533   2.5146   78.446   3.8442   80.904   5.6064   76.266   5.2812  104.075   3.6130  101.053   3.5052 3.021690 5.033918 
1 1 1    4   15   10 o  202.945   2.6062  307.404   7.8859   0.0000   0.0000  307.404   7.8859  ?   ?   202.945   2.6062 0.000000 2.606153 
1 1 1    4   15   11 o   45.488   4.8968   15.677   3.2687   17.641   5.8743   14.796   3.9340   47.588   8.5956   43.962   6.1719 3.626099 10.58186 
1 1 1    4   15   12 f  129.235   2.7605  124.735   5.3191  130.092   8.6780  121.512   6.7319  131.794   4.4163  127.479   3.5418 4.314461 5.661097 
1 1 1    4   15   13 o  141.955   2.6288  150.505   5.5639  146.310   7.7964  154.860   7.9427  139.830   3.7396  143.863   3.7030 -4.032913 5.262742 
1 1 1    4   15   14 o   41.490   7.1261   13.382   4.2494   13.209   5.8006   13.583   6.2429   40.727   9.6927   41.244   10.207 -0.5170021 14.07622 
1 1 1    4   15   15 o  119.127   2.8595  106.131   5.0788  107.967   9.7231  105.441   5.9560  119.655   5.4501  118.667   3.3663 0.9881516 6.405863 
1 1 1    4   15   16 o  102.904   2.9316   79.315   4.4979   89.474   7.5457   73.717   5.6019  108.907   4.6470   99.048   3.7933 9.858864 5.998697 
1 1 1    4   15   17 o  164.426   2.3065  202.453   5.6545  201.761   9.1450  202.882   7.1947  163.544   3.7504  164.372   2.9357 -0.8273621 4.762769 
1 1 1    4   15   18 o   42.615   5.7475   14.310   3.5587   16.395   5.5826   12.883   4.6187   44.229   8.7753   39.391   8.1336 4.838367 11.96502 
1 1 1    4   15   19 o   32.449   6.8262   8.7363   3.1979   7.7165   5.1092   9.3932   4.1005   29.715   9.8717   32.981   8.3351 -3.265160 12.91986 
1 1 1    4   16    0 o  292.914   3.9414  640.216   17.206  640.216   17.206  640.216   17.206  292.914   3.9414  292.914   3.9414 0.000000 0.000000 
1 1 1    4   16    1 o  517.937   2.9688  2000.85   22.926  1968.29   28.603  2059.34   38.339  513.630   3.7350  525.225   4.8958 -11.59534 6.157876 
1 1 1    4   16    2 o  182.747   2.1067  249.033   5.7400  269.641   9.3834  236.710   7.2560  190.120   3.3103  178.152   2.7317 11.96852 4.291860 
1 1 1    4   16    3 o  149.209   2.3223  166.029   5.1664  158.699   7.6409  172.203   7.0123  145.845   3.5138  151.937   3.0955 -6.092133 4.682859 
1 1 1    4   16    4 o  326.397   2.5118  794.581   12.224  780.761   16.800  810.128   17.819  323.476   3.4833  329.491   3.6273 -6.014801 5.028940 
1 1 1    4   16    5 o  321.304   2.1527  769.923   10.312  787.508   14.766  753.178   14.409  324.887   3.0482  317.728   3.0416 7.159760 4.306183 
1 1 1    4   16    6 o  182.676   2.0600  248.883   5.6107  242.327   7.8677  255.667   8.0034  180.214   2.9281  185.110   2.8999 -4.895859 4.121037 
1 1 1    4   16    7 o  241.242   2.2529  434.129   8.1032  433.124   10.376  435.700   12.973  240.914   2.8888  241.560   3.6019 -0.6461334 4.617267 
1 1 1    4   16    8 o  198.521   2.0234  293.980   5.9890  287.778   8.5850  299.860   8.3588  196.351   2.9325  200.442   2.7970 -4.091003 4.052482 
1 1 1    4   16    9 o   67.022   3.0909   33.542   3.0886   28.213   4.7651   37.403   4.0561   61.148   5.2783   70.637   3.8659 -9.489326 6.542646 
1 1 1    4   16   10 o  182.723   2.0291  249.105   5.5279  250.510   8.7050  248.156   7.1560  183.127   3.1882  182.323   2.6325 0.8037720 4.134540 
1 1 1    4   16   11 o   77.549   3.3004   44.946   3.8161   60.025   7.1495   38.939   4.5127   89.269   5.3970   72.001   4.2221 17.26818 6.852246 
1 1 1    4   16   12 o  110.841   2.8397   91.785   4.6929   97.327   6.7791   86.685   6.5030  114.020   3.9877  107.599   4.0536 6.421288 5.686227 
1 1 1    4   16   13 o  174.833   2.2637  228.211   5.9008  227.020   9.1865  229.048   7.6992  174.187   3.5372  175.061   2.9498 -0.8741302 4.605763 
1 1 1    4   16   14 o   88.638   3.2553   58.787   4.3021   62.612   6.8695   56.319   5.5182   91.098   5.0778   86.643   4.2716 4.455696 6.635590 
1 1 1    4   16   15 o   39.748   7.1416   12.400   4.0768   18.740   7.2965   9.5221   4.9157   48.077   10.475   34.461   9.3358 13.61662 14.03159 
1 1 1    4   16   16 o   57.408   4.6068   25.076   3.9099   17.769   7.4651   27.838   4.5899   46.121   11.009   60.359   5.1495 -14.23799 12.15350 
1 1 1    4   16   17 o   58.116   4.1668   25.752   3.5866   28.902   5.9010   23.908   4.5165   60.593   6.6406   55.515   5.5302 5.078419 8.641850 
1 1 1    4   16   18 o   65.893   3.6937   33.105   3.6143   34.774   5.9514   32.129   4.5493   66.306   6.0879   64.437   4.7691 1.869652 7.733476 
1 1 1    4   16   19 o   70.312   3.8711   38.065   4.0425   43.742   6.3635   34.223   5.2345   73.951   5.8184   65.687   5.3923 8.264153 7.932872 
1 1 1    4   17    0 f  288.570   3.4749  621.304   14.946  621.304   14.946  621.304   14.946  288.570   3.4749  288.570   3.4749 0.000000 0.000000 
1 1 1    4   17    1 f  318.418   2.5701  756.234   12.202  768.126   17.399  744.727   17.116  320.831   3.6373  315.906   3.6339 4.924255 5.141495 
1 1 1    4   17    2 o  293.176   2.3804  641.052   10.405  649.589   19.446  637.627   12.317  294.957   4.4218  292.364   2.8256 2.592468 5.247440 
1 1 1    4   17    3 o   79.099   3.0150   46.680   3.5557   42.898   4.8471   51.086   5.2319   75.673   4.3139   82.606   4.2625 -6.932671 6.064524 
1 1 1    4   17    4 o   91.901   2.6515   63.006   3.6332   64.040   4.9749   61.823   5.3185   92.625   3.6024   90.997   3.9200 1.627777 5.323868 
1 1 1    4   17    5 o  154.843   2.1341  178.833   4.9270  181.235   6.9195  176.362   7.0172  155.842   2.9780  153.728   3.0616 2.113907 4.271009 
1 1 1    4   17    6 o  119.882   2.3124  107.213   4.1332  106.802   5.8121  107.634   5.8788  119.610   3.2591  120.074   3.2838 -0.4638977 4.626530 
1 1 1    4   17    7 o  144.583   2.3112  155.964   4.9822  156.043   6.6348  155.863   7.5441  144.573   3.0780  144.459   3.5026 0.1140137 4.662879 
1 1 1    4   17    8 o  148.760   2.2360  165.118   4.9593  161.003   6.9751  169.325   7.0526  146.829   3.1862  150.580   3.1413 -3.750534 4.474345 
1 1 1    4   17    9 o  157.777   2.0606  185.737   4.8475  174.677   7.3539  194.234   6.4462  152.913   3.2255  161.299   2.6804 -8.385193 4.193882 
1 1 1    4   17   10 o  107.949   2.4103   86.988   3.8794   81.714   5.9468   90.896   5.1185  104.520   3.8160  110.298   3.1125 -5.777710 4.924393 
1 1 1    4   17   11 o   96.652   2.6598   69.770   3.8329   66.523   6.0345   71.966   4.9625   94.235   4.2950   98.104   3.3927 -3.868958 5.473284 
1 1 1    4   17   12 o  153.191   2.5120  175.270   5.7376  170.714   8.2460  179.547   7.9886  151.030   3.6619  154.921   3.4585 -3.890976 5.036951 
1 1 1    4   17   13 o   77.512   3.6391   44.986   4.2057   44.239   6.0414   45.687   5.8584   76.496   5.3303   77.793   5.0788 -1.296722 7.362431 
1 1 1    4   17   14 o   65.080   4.4482   31.977   4.2903   39.402   8.1442   29.125   5.0475   71.424   7.7733   61.878   5.5293 9.545940 9.539257 
1 1 1    4   17   15 o  113.282   2.8351   96.108   4.7886  106.124   7.6198   89.571   6.1561  118.684   4.3061  109.167   3.7822 9.516899 5.731267 
1 1 1    4   17   16 o  102.072   3.0658   78.292   4.6658   69.977   6.9432   85.139   6.3004   95.803   4.8770  106.153   3.9808 -10.35040 6.295336 
1 1 1    4   17   17 o  120.893   2.5844  109.859   4.6583  101.998   7.5844  114.621   5.9029  115.585   4.4010  123.207   3.2133 -7.622841 5.449232 
1 1 1    4   17   18 o   27.864   7.7661   6.5938   3.3471   8.7054   6.1562   5.7077   3.9880   31.282   10.830   26.159   8.7230 5.122793 13.90648 
1 1 1    4   18    0 o  171.452   2.8396  219.399   7.2544  219.399   7.2544  219.399   7.2544  171.452   2.8396  171.452   2.8396 0.000000 0.000000 
1 1 1    4   18    1 o  103.642   2.3690   80.123   3.6608   81.305   5.0777   78.845   5.2826  104.376   3.2629  102.778   3.4473 1.598000 4.746558 
1 1 1    4   18    2 o  163.933   1.9934  200.428   4.8724  197.500   6.8948  203.348   6.8863  162.696   2.8424  165.089   2.7977 -2.393524 3.988223 
1 1 1    4   18    3 o  171.641   2.4103  219.772   6.1682  229.279   7.4328  198.743   11.055  175.291   2.8439  163.083   4.5465 12.20781 5.362740 
1 1 1    4   18    4 o  172.042   2.0943  220.775   5.3721  228.821   7.4449  212.035   7.7595  175.107   2.8516  168.546   3.0878 6.560532 4.203084 
1 1 1    4   18    5 o   79.864   2.8920   47.607   3.4436   45.256   4.6747   50.395   5.0921   77.719   4.0482   82.011   4.1783 -4.292458 5.817709 
1 1 1    4   18    6 o  153.690   2.9178  176.331   6.6861  180.781   8.9359  170.673   10.078  155.537   3.8533  151.063   4.4746 4.473953 5.905050 
1 1 1    4   18    7 o  131.120   2.2952  128.290   4.4869  130.337   6.2642  126.133   6.4301  132.104   3.1804  129.945   3.3188 2.158829 4.596690 
1 1 1    4   18    8 o   34.437   5.9788   9.1577   2.9585   6.5436   3.9964   12.327   4.4006   29.170   8.6020   39.767   7.7003 -10.59693 11.54506 
1 1 1    4   18    9 o   42.851   5.0296   13.955   3.1523   12.920   5.8387   14.381   3.7451   40.393   9.7957   43.348   5.9516 -2.955231 11.46201 
1 1 1    4   18   10 o  106.200   2.6038   84.231   4.1228   75.715   6.7838   89.219   5.1916  100.506   4.5270  109.250   3.1872 -8.744606 5.536425 
1 1 1    4   18   11 o  116.385   2.5153  101.168   4.3648  102.446   6.8710  100.304   5.6516  116.959   3.9402  115.812   3.2730 1.146782 5.122283 
1 1 1    4   18   12 o   97.276   2.8927   70.734   4.1954   68.155   6.5494   72.528   5.4635   95.288   4.6099   98.415   3.7234 -3.126961 5.925784 
1 1 1    4   18   13 o  158.487   2.3879  187.663   5.6425  188.531   8.8724  187.073   7.3116  158.598   3.7521  158.118   3.1014 0.4794159 4.867971 
1 1 1    4   18   14 o   68.631   4.3117   35.580   4.3896   27.253   7.9106   39.285   5.2765   58.537   9.3805   71.984   4.9464 -13.44618 10.60475 
1 1 1    4   18   15 o   65.459   4.3656   32.518   4.2363   36.231   7.5388   30.805   5.1214   67.962   7.5684   63.383   5.4731 4.579647 9.339942 
1 1 1    4   18   16 o   59.675   4.2169   27.177   3.7278   23.633   5.4952   30.199   5.0737   54.567   6.9092   62.426   5.5077 -7.858971 8.835770 
1 1 1    4   18   17 o   34.302   6.8526   9.6573   3.3820   5.7821   5.1927   12.512   4.4569   27.152   9.8898   38.593   8.0080 -11.44060 12.72544 
1 1 1    4   18   18 o   47.680   5.1249   18.018   3.5861   23.836   6.5880   15.568   4.2749   52.218   8.7729   43.307   6.8483 8.910995 11.12935 
1 1 1    4   19    0 o  759.293   5.0569  4304.76   57.243  4304.76   57.243  4304.76   57.243  759.293   5.0569  759.293   5.0569 0.000000 0.000000 
1 1 1    4   19    1 o  222.917   2.0057  370.647   6.6663  363.196   9.2626  378.655   9.6018  220.606   2.8161  225.249   2.8590 -4.642303 4.013023 
1 1 1    4   19    2 o  126.476   2.5489  119.358   4.8065  113.239   8.3390  122.402   5.8818  123.069   4.5446  128.052   3.0807 -4.982834 5.490363 
1 1 1    4   19    3 o   78.076   3.3458   45.520   3.8948   42.729   4.4399   54.839   8.1131   75.517   3.9570   85.267   6.4290 -9.749802 7.549173 
1 1 1    4   19    4 o  215.944   2.0840  347.879   6.7100  349.986   9.2177  345.505   9.7864  216.530   2.8552  215.119   3.0512 1.410843 4.178764 
1 1 1    4   19    5 o   82.704   2.9921   51.071   3.6895   53.214   4.8851   48.227   5.6292   84.375   3.8832   80.134   4.7325 4.240997 6.121777 
1 1 1    4   19    6 o  179.880   2.3889  241.484   6.4070  249.666   10.422  236.513   8.1235  182.744   3.8250  177.956   3.0617 4.788208 4.899434 
1 1 1    4   19    7 o  177.504   2.1508  235.120   5.6921  235.400   8.0192  234.835   8.0810  177.523   3.0297  177.306   3.0568 0.2163849 4.303895 
1 1 1    4   19    8 o   62.953   4.1636   29.796   3.8859   35.203   4.7308   18.582   6.8136   68.381   4.6680   48.551   9.7511 19.83022 10.81080 
1 1 1    4   19    9 o   15.242   6.8254  -1.3953   3.1962   3.8267   6.6156  -2.9853   3.6505   27.997   10.941   14.979   6.9291 13.01785 12.95061 
1 1 1    4   19   10 o   79.217   3.0071   46.909   3.5516   46.942   5.6801   46.888   4.5510   78.927   4.8503   79.129   3.8574 -0.2026901 6.197229 
1 1 1    4   19   11 o  138.552   2.3782  143.374   4.9128  147.469   7.6352  140.481   6.4177  140.341   3.6489  137.053   3.1407 3.287994 4.814404 
1 1 1    4   19   12 o   99.053   3.0783   73.403   4.5463   71.464   6.6600   75.094   6.2211   97.528   4.5801  100.041   4.1708 -2.512589 6.194623 
1 1 1    4   19   13 o  128.930   2.6681  124.336   5.1289  130.718   8.1587  120.165   6.5950  131.887   4.1490  126.599   3.4939 5.288300 5.424208 
1 1 1    4   19   14 o   64.281   4.2019   31.278   4.0050   28.487   6.3173   33.154   5.1787   60.465   7.1455   65.896   5.3163 -5.431061 8.906249 
1 1 1    4   19   15 o   12.604   6.0656  -4.7868   3.3582  -2.2881   5.0275  -6.7998   4.5125   18.504   8.3981   14.314   6.9234 4.190695 10.88404 
1 1 1    4   19   16 o   57.545   4.4652   25.478   3.8010   21.811   5.4860   28.863   5.2714   51.897   7.2911   60.588   5.9106 -8.691620 9.385918 
1 1 1    4   19   17 o   31.740   6.9047   8.4090   3.1746   4.3299   5.1610   10.892   4.0265   24.802   9.6716   35.784   7.7695 -10.98276 12.40581 
1 1 1    4   20    0 o  315.273   3.0358  741.692   14.267  741.692   14.267  741.692   14.267  315.273   3.0358  315.273   3.0358 0.000000 0.000000 
1 1 1    4   20    1 o   72.813   2.9242   39.582   3.1746   43.787   4.4817   35.346   4.4975   76.436   3.9460   68.601   4.4206 7.835022 5.925642 
1 1 1    4   20    2 o   28.165   6.4684   6.1941   2.6590   10.322   3.6576   1.5670   3.8724   36.456   6.9834   20.660   8.2757 15.79600 10.82843 
1 1 1    4   20    3 f  112.158   2.4330   93.881   4.0686   85.231   5.3059  106.226   6.3384  106.814   3.3317  119.229   3.5656 -12.41460 4.879900 
1 1 1    4   20    4 o   35.954   5.8024   9.9424   3.0045   8.1333   3.9143   12.537   4.6876   32.203   8.1465   40.045   8.1287 -7.842632 11.50826 
1 1 1    4   20    5 o  119.849   2.5763  107.231   4.6037   95.761   5.6801  129.191   7.8596  113.201   3.3654  131.418   4.0112 -18.21635 5.235990 
1 1 1    4   20    6 o   81.491   2.9403   49.605   3.5725   50.822   4.8428   48.152   5.2914   82.419   3.9410   80.063   4.4503 2.356171 5.944440 
1 1 1    4   20    7 o  195.704   2.1604  285.862   6.3038  278.323   8.6320  294.478   9.2276  192.999   2.9997  198.503   3.1178 -5.503937 4.326562 
1 1 1    4   20    8 o  131.190   2.9924  128.630   5.8531  127.148   7.5315  130.889   9.3006  130.320   3.8761  132.087   4.7226 -1.767334 6.109587 
1 1 1    4   20    9 o  143.185   2.4726  153.130   5.2787  153.601   7.5094  152.669   7.4217  143.266   3.5155  142.835   3.4849 0.4303131 4.950146 
1 1 1    4   20   10 o  172.970   2.1836  223.398   5.6315  229.114   8.8957  219.575   7.2748  174.968   3.4100  171.388   2.8469 3.579956 4.442156 
1 1 1    4   20   11 o  147.456   2.7484  162.551   6.0425  159.969   8.0454  165.892   9.1520  146.115   3.6930  148.702   4.1279 -2.586456 5.538773 
1 1 1    4   20   12 o   41.652   5.9472   13.390   3.5884   5.0230   5.5657   19.342   4.6944   27.842   10.224   50.085   6.4352 -22.24303 12.08056 
1 1 1    4   20   13 o   23.522   8.2096   3.8948   3.5406   5.6070   5.7184   2.8304   4.5088   28.602   10.384   23.242   9.0464 5.360476 13.77215 
1 1 1    4   20   14 o   66.187   4.1532   33.245   4.0778   36.979   7.2075   31.487   4.9454   68.683   7.1428   64.078   5.2217 4.604973 8.847936 
1 1 1    4   20   15 o   32.803   7.2086   8.8053   3.4294   13.760   5.4000   5.4567   4.4396   40.309   9.1893   26.501   9.1961 13.80874 13.00041 
1 1 1    4   20   16 o   81.987   3.9674   51.387   4.8497   52.052   6.1543   50.298   7.8775   81.735   5.0752   79.052   6.7482 2.683121 8.443657 
1 1 1    4   20   17 o   21.751   7.7183   3.7399   3.1391   5.8716   4.9644   2.3198   4.0519   26.324   9.6575   20.574   8.3842 5.750389 12.78911 
1 1 1    4   21    0 o   50.352   5.5184   19.620   4.0162   19.620   4.0162   19.620   4.0162   50.352   5.5184   50.352   5.5184 0.000000 0.000000 
1 1 1    4   21    1 o  330.677   2.2049  816.005   10.871  815.770   15.209  816.251   15.544  330.466   3.0868  330.549   3.1540 -0.8285522E-01 4.413156 
1 1 1    4   21    2 o   84.674   2.8494   53.543   3.5973   52.170   4.7050   55.476   5.5813   83.526   3.7780   85.977   4.3683 -2.451370 5.775439 
1 1 1    4   21    3 o  183.781   2.1652  252.057   5.9328  240.494   7.8525  267.437   9.0561  179.437   2.9351  189.185   3.2106 -9.748337 4.350039 
1 1 1    4   21    4 o  108.807   2.7037   88.411   4.3861   84.834   5.3902   95.420   7.5459  106.530   3.3936  112.866   4.4841 -6.336159 5.623497 
1 1 1    4   21    5 o   78.050   3.0693   45.523   3.5717   42.790   4.6345   49.520   5.6051   75.486   4.1336   81.148   4.6522 -5.662018 6.223272 
1 1 1    4   21    6 o   34.458   5.9512   9.1862   2.9469   8.9697   3.9228   9.4667   4.4647   33.734   7.9326   34.611   8.6702 -0.8772469 11.75150 
1 1 1    4   21    7 o  151.712   2.4338  171.893   5.5054  164.137   7.8998  179.217   7.6765  148.097   3.5777  154.791   3.3262 -6.694107 4.884994 
1 1 1    4   21    8 o   45.805   4.9158   15.941   3.3047   17.442   4.5862   14.319   4.7660   47.590   6.6447   42.783   7.7573 4.806728 10.21411 
1 1 1    4   21    9 o   55.623   4.3903   23.362   3.6113   23.773   5.0400   22.929   5.1772   55.773   6.1638   54.693   6.4745 1.080170 8.939363 
1 1 1    4   21   10 o  160.764   2.4911  193.130   5.9709  205.591   10.868  187.743   7.1460  165.454   4.4057  158.417   3.0254 7.036270 5.344496 
1 1 1    4   21   11 o   40.751   6.4458   12.900   3.7861   10.534   5.4298   15.138   5.2820   36.205   9.8133   43.698   8.4124 -7.493763 12.92551 
1 1 1    4   21   12 o   57.807   4.9318   25.430   4.2101   19.146   5.8615   32.127   6.0509   49.132   8.2970   64.620   6.3628 -15.48801 10.45589 
1 1 1    4   21   13 o   71.264   4.1262   38.472   4.3654   44.822   6.9272   34.289   5.6223   76.228   6.1473   66.775   5.7018 9.452827 8.384439 
1 1 1    4   21   14 o   51.042   4.8741   20.085   3.6642   26.574   6.0463   16.319   4.6065   57.755   7.1761   45.129   7.0790 12.62599 10.08009 
1 1 1    4   21   15 o   30.125   7.5134   7.6002   3.3634   4.7882   4.9564   10.000   4.5790   25.565   9.5983   34.031   8.9172 -8.466345 13.10129 
1 1 1    4   21   16 o   49.561   5.0092   19.383   3.6507   17.923   5.2923   20.709   5.0425   45.748   8.0531   50.036   6.9467 -4.287918 10.63526 
1 1 1    4   21   17 o   38.990   6.0328   12.618   3.3938   18.386   5.5604   9.1942   4.2843   45.075   8.5874   31.439   8.7949 13.63537 12.29202 
1 1 1    4   22    0 o  144.648   3.0234  156.332   6.5141  156.332   6.5141  156.332   6.5141  144.648   3.0234  144.648   3.0234 0.000000 0.000000 
1 1 1    4   22    1 o   56.361   3.5965   23.855   3.0065   26.662   4.1198   20.656   4.3974   59.455   4.6854   52.109   5.7560 7.345829 7.421867 
1 1 1    4   22    2 o   76.215   3.0085   43.407   3.4187   41.573   4.4496   46.048   5.3412   74.412   4.0255   78.244   4.5986 -3.831772 6.111671 
1 1 1    4   22    3 o   54.871   3.8001   22.640   3.0898   20.384   4.2903   25.071   4.4536   51.767   5.6503   57.543   5.2487 -5.776127 7.711964 
1 1 1    4   22    4 o  256.849   2.3507  492.585   9.0020  471.077   11.032  535.439   15.572  251.065   2.9472  267.417   3.9057 -16.35152 4.892859 
1 1 1    4   22    5 o   71.765   3.9394   38.690   4.1990   45.064   6.6706   34.507   5.4041   77.134   5.8437   67.523   5.4134 9.611046 7.965763 
1 1 1    4   22    6 o  151.337   2.9359  171.217   6.6246  186.144   8.2093  143.347   11.217  157.704   3.4913  138.001   5.4515 19.70346 6.473680 
1 1 1    4   22    7 o   67.140   3.6120   33.854   3.6024   33.998   4.7827   33.666   5.4767   67.092   4.8131   66.617   5.5649 0.4751053 7.357617 
1 1 1    4   22    8 o   44.662   5.8184   15.300   3.7825   17.551   5.8187   13.652   4.9778   47.205   8.5836   41.571   8.3215 5.634277 11.95516 
1 1 1    4   22    9 o   70.060   3.7841   36.907   3.9381   37.088   5.4458   36.708   5.7017   69.956   5.2596   69.532   5.5460 0.4243698 7.643381 
1 1 1    4   22   10 o   80.442   3.5856   48.525   4.3005   41.675   7.5869   51.767   5.2201   73.639   6.9941   82.885   4.2383 -9.245773 8.178057 
1 1 1    4   22   11 o   62.856   4.0823   29.852   3.8051   27.836   5.8607   31.321   5.0031   60.020   6.6615   64.109   5.2812 -4.089169 8.500937 
1 1 1    4   22   12 o   17.929   7.7313  -0.1039   3.7596  -3.7596   5.1107   4.2078   5.5504   17.686   8.1875   26.364   10.097 -8.678530 12.99926 
1 1 1    4   22   13 o   70.963   4.0974   38.298   4.3169   42.186   7.9797   36.690   5.1328   72.896   7.4465   69.113   5.0152 3.783150 8.977901 
1 1 1    4   22   14 o   14.434   6.7532  -3.0561   3.6238  -1.7418   6.4480  -3.6629   4.3811   21.132   9.5583   15.782   7.3971 5.349149 12.08627 
1 1 1    4   22   15 o   26.640   8.4804   6.0677   3.7925   9.6127   5.1725   1.9462   5.5771   32.563   9.8297   22.500   9.5522 10.06224 13.70644 
1 1 1    4   22   16 o   56.736   4.4160   25.263   3.7062   32.950   5.9588   20.414   4.7330   63.167   6.4160   49.497   6.5763 13.67044 9.187629 
1 1 1    4   23    0 o   22.481   10.376   5.5528   3.8287   5.5528   3.8287   5.5528   3.8287   22.481   10.376   22.481   10.376 0.000000 0.000000 
1 1 1    4   23    1 o  146.316   2.2331  159.842   4.8716  151.579   6.6422  169.463   7.1667  142.377   3.1290  150.533   3.1931 -8.155853 4.470621 
1 1 1    4   23    2 o  145.076   2.2844  157.162   4.9412  152.675   6.6051  162.864   7.4459  142.891   3.1003  147.539   3.3849 -4.648117 4.590122 
1 1 1    4   23    3 o   62.732   5.0644   29.771   4.6965   29.771   4.6965   0.0000   0.0000   62.732   5.0644  ?   ?  0.000000 5.064388 
1 1 1    4   23    4 o   21.607   8.2012   2.5748   3.6414   2.5115   4.1014   2.8104   7.9134   22.325   8.6451   28.649   11.701 -6.324604 14.54806 
1 1 1    4   23    5 o  113.332   3.9324   96.281   6.6448   98.147   8.4711   93.296   10.713  114.237   4.9735  110.850   6.5106 3.387093 8.192912 
1 1 1    4   23    6 o   74.415   3.8898   41.628   4.3008   36.599   4.8003   62.090   9.6824   69.633   4.6504   90.096   7.2698 -20.46312 8.629929 
1 1 1    4   23    7 o   69.001   3.6770   35.783   3.7693   40.497   4.9366   29.194   5.8368   73.269   4.5414   61.758   6.4333 11.51062 7.874712 
1 1 1    4   23    8 o   19.695   7.8659   1.5651   3.4871   7.5588   4.5645  -6.8369   5.4043   31.022   9.2046   16.544   7.8896 14.47774 12.12313 
1 1 1    4   23    9 o   91.100   3.2465   62.184   4.4097   65.824   6.3388   58.770   6.1384   93.502   4.5469   88.203   4.6845 5.298943 6.528314 
1 1 1    4   23   10 o   45.501   5.2234   15.873   3.4793   13.774   5.3341   17.427   4.5902   41.317   8.9202   47.309   6.6946 -5.991825 11.15290 
1 1 1    4   23   11 o   86.293   3.2284   55.938   4.1537   57.173   6.4175   55.047   5.4490   86.648   4.9885   85.248   4.3009 1.399986 6.586605 
1 1 1    4   23   12 o   32.942   7.5778   8.8527   3.6443   0.6198   6.0822   13.464   4.5519   22.924   9.8594   40.728   7.7797 -17.80430 12.55909 
1 1 1    4   23   13 o   49.451   6.8060   19.652   4.8851  -1.3641   11.163   24.630   5.4330   27.483   12.489   55.499   6.7014 -28.01683 14.17306 
1 1 1    4   23   14 o   23.105   8.4218   4.0525   3.7665  -3.4614   5.9383   9.1100   4.8719   18.764   8.7341   31.947   9.5165 -13.18254 12.91694 
1 1 1    4   23   15 o   23.420   8.3024   4.5330   3.6313   5.6122   5.1220   3.4423   5.1489   25.864   9.7482   23.146   9.4440 2.717943 13.57263 
1 1 1    4   24    0 o  140.615   3.4734  147.929   7.2721  147.929   7.2721  147.929   7.2721  140.615   3.4734  140.615   3.4734 0.000000 0.000000 
1 1 1    4   24    1 o  123.604   2.3982  114.137   4.4196  115.786   6.0640  112.268   6.4547  124.381   3.2699  122.436   3.5359 1.944710 4.816098 
1 1 1    4   24    2 o  104.903   2.6533   82.254   4.1500   82.179   5.5394   82.349   6.2654  104.747   3.5469  104.787   4.0103 -0.4041290E-01 5.353789 
1 1 1    4   24    3 o   99.957   2.7942   74.708   4.1643   76.715   5.5349   72.089   6.3216  101.182   3.6689   97.985   4.3271 3.196823 5.673185 
1 1 1    4   24    4 o   65.484   3.7356   32.247   3.6321   33.972   4.6990   29.687   5.7247   67.047   4.7310   62.329   6.2442 4.718563 7.834046 
1 1 1    4   24    5 o   63.634   4.4541   30.578   4.1993   22.640   4.6036   69.903   10.247   54.449   5.7580   95.555   7.2464 -41.10546 9.255549 
1 1 1    4   24    6 o   46.615   5.1722   16.578   3.5342   13.813   4.3670   21.826   6.0164   42.022   7.2309   52.884   7.8702 -10.86191 10.68765 
1 1 1    4   24    7 o   88.673   4.5741   59.336   6.0268   54.967   6.9592   72.444   12.053   85.101   5.5144   96.666   8.4478 -11.56422 10.08834 
1 1 1    4   24    8 f   65.433   4.1152   32.322   3.9943   27.980   5.4879   37.214   5.8247   60.370   6.1843   69.862   5.6399 -9.492493 8.369854 
1 1 1    4   24    9 o   27.679   8.0611   6.0719   3.5292   4.2952   4.9427   7.9198   5.0408   25.873   9.6104   31.562   9.7387 -5.688728 13.68219 
1 1 1    4   24   10 o   53.897   4.8454   22.211   3.8521   17.770   5.4636   26.600   5.4319   47.098   8.0709   58.538   6.3241 -11.43953 10.25346 
1 1 1    4   24   11 o   74.210   3.6630   41.602   4.0529   38.332   6.8315   43.378   5.0346   69.924   6.6320   75.401   4.4989 -5.476494 8.013964 
1 1 1    4   24   12 o   58.060   4.2594   25.866   3.6615   19.587   5.6291   30.470   4.8206   48.726   8.0279   62.614   5.2109 -13.88797 9.570870 
1 1 1    4   24   13 o   25.564   8.7337   5.3908   3.9984   7.7781   6.5113   3.9457   5.0660   30.056   11.055   24.258   9.5461 5.798550 14.60630 
1 1 1    4   24   14 o   62.897   4.0868   30.707   3.8117   30.005   5.5693   31.326   5.2280   60.608   6.2529   62.407   5.6809 -1.798428 8.448155 
1 1 1    4   24   15 o   41.551   6.2093   14.500   3.7287   11.193   5.2731   17.806   5.2733   33.533   9.8787   44.315   8.2856 -10.78199 12.89341 
1 1 1    4   25    0 o  184.784   3.1201  255.175   8.5907  255.175   8.5907  255.175   8.5907  184.784   3.1201  184.784   3.1201 0.000000 0.000000 
1 1 1    4   25    1 o   92.313   2.8047   63.742   3.8603   62.517   5.3206   65.103   5.6095   91.277   3.9096   93.125   4.0400 -1.847946 5.621952 
1 1 1    4   25    2 o  135.410   2.4717  137.052   4.9902  137.508   6.7241  136.493   7.4453  135.490   3.3286  134.913   3.7013 0.5769196 4.977875 
1 1 1    4   25    3 o   86.628   3.2536   56.206   4.2024   56.701   5.2967   55.364   6.9039   86.893   4.0884   85.454   5.4470 1.438812 6.810672 
1 1 1    4   25    4 o   59.385   5.2034   26.808   4.5607   39.771   7.4915   19.175   5.7488   71.906   7.0795   49.405   8.0839 22.50047 10.74564 
1 1 1    4   25    5 o   18.625   7.7900   0.6038   3.6223  -4.3782   4.2400   14.063   6.9692   15.347   7.2196   41.501   11.062 -26.15421 13.20956 
1 1 1    4   25    6 o   75.584   3.6769   42.886   4.1436   37.022   5.2270   52.803   6.7975   69.837   5.0541   83.340   5.5015 -13.50291 7.470583 
1 1 1    4   25    7 o   66.470   4.8871   33.564   4.8094   32.827   5.3923   36.429   10.635   65.550   5.5701   66.886   11.050 -1.335808 12.37420 
1 1 1    4   25    8 o   38.082   7.3326   11.544   4.0123   17.162   6.2875   7.6848   5.2113   45.863   9.5071   31.165   9.9431 14.69761 13.75681 
1 1 1    4   25    9 o  105.676   3.0599   83.892   4.8212   81.103   6.9532   86.474   6.6907  103.443   4.5083  106.931   4.1966 -3.487297 6.159235 
1 1 1    4   25   10 o   17.147   7.5229  -0.5122   3.6909  -0.0356   5.7644  -0.8433   4.8051   21.736   9.4721   19.222   8.5020 2.514793 12.72809 
1 1 1    4   25   11 o   40.015   6.2369   12.816   3.5997   14.319   5.2090   11.442   4.9801   41.098   8.7681   36.472   9.1684 4.626911 12.68622 
1 1 1    4   25   12 o   37.672   6.0697   11.494   3.2935   10.054   5.0357   12.570   4.3537   33.485   9.5939   38.479   7.8545 -4.993263 12.39898 
1 1 1    4   25   13 o   58.819   4.4222   27.047   3.8497   24.215   5.2603   30.313   5.6492   54.092   6.6632   60.874   6.3162 -6.781704 9.181068 
1 1 1    4   25   14 o   22.748   7.9537   4.4494   3.3240   3.6551   4.9302   5.1114   4.5008   22.666   9.2440   24.303   9.1423 -1.636982 13.00127 
1 1 1    4   26    0 o   48.650   6.7405   18.769   4.6214   18.769   4.6214   18.769   4.6214   48.650   6.7405   48.650   6.7405 0.000000 0.000000 
1 1 1    4   26    1 o   17.072   7.2018   0.3127   3.1382   1.7635   4.4711  -1.0961   4.4058   21.846   8.8422   18.496   8.1632 3.349455 12.03422 
1 1 1    4   26    2 o   80.621   3.5000   48.755   4.2072   55.472   6.2751   43.270   5.6704   85.598   4.9378   75.535   5.0643 10.06335 7.073111 
1 1 1    4   26    3 o   24.820   8.5758   4.3881   3.8589   7.0711   5.0698   0.6926   5.9499   30.324   9.8212   23.299   9.8773 7.025339 13.92896 
1 1 1    4   26    4 o   42.674   7.1838   14.309   4.4084   6.2056   7.0724   19.458   5.6376   30.781   11.483   49.702   7.8698 -18.92086 13.92133 
1 1 1    4   26    5 o   84.934   3.4050   54.150   4.3119   53.539   5.3387   55.297   7.3129   84.184   4.2673   85.091   5.7987 -0.9065399 7.199643 
1 1 1    4   26    6 o  109.366   3.5891   89.931   5.8524   93.167   7.7253   85.572   8.9655  110.990   4.6683  105.856   5.7016 5.134293 7.368922 
1 1 1    4   26    7 o   85.506   3.4594   55.005   4.4103   57.031   5.8480   52.333   6.7158   86.670   4.5413   82.670   5.4796 3.999413 7.116865 
1 1 1    4   26    8 o   96.719   3.2005   70.390   4.6153   77.564   6.5671   63.389   6.4877  101.129   4.3554   91.143   4.7910 9.986259 6.474786 
1 1 1    4   26    9 o   32.409   8.7328   8.8015   4.3149   5.4744   8.6105   9.9172   4.9861   30.220   12.257   34.186   9.4612 -3.965984 15.48398 
1 1 1    4   26   10 o   46.899   4.9076   17.134   3.3809   14.959   5.0725   18.872   4.5350   42.137   8.3690   48.537   6.4245 -6.399616 10.55056 
1 1 1    4   26   11 o   40.949   6.4722   13.710   3.8202   15.402   4.9942   11.324   5.9310   42.398   8.1969   34.923   10.522 7.475090 13.33802 
1 1 1    4   26   12 o   17.936   7.5637   1.0908   3.4596  -3.8529   5.9066   3.6725   4.2684   18.096   8.5155   22.579   8.7981 -4.482395 12.24423 
1 1 1    4   26   13 o   36.685   6.3704   11.401   3.3580   0.9947   4.8806   20.754   4.6273   19.744   8.6566   49.687   6.3946 -29.94355 10.76234 
1 1 1    4   27    0 f   22.679   10.699   5.7446   4.0851   5.7446   4.0851   5.7446   4.0851   22.679   10.699   22.679   10.699 0.000000 0.000000 
1 1 1    4   27    1 o   36.498   5.8611   10.379   3.0815   9.2275   4.2885   11.609   4.4309   33.790   8.5154   38.040   8.0627 -4.249611 11.72683 
1 1 1    4   27    2 o  119.543   2.6408  107.008   4.7069  102.667   6.2987  112.497   7.0832  116.867   3.6148  122.255   3.8859 -5.388519 5.307259 
1 1 1    4   27    3 o   73.343   3.5971   40.449   3.9335   38.449   5.1366   43.284   6.1166   71.093   4.8754   75.255   5.4893 -4.161598 7.341758 
1 1 1    4   27    4 o  109.533   2.8067   89.948   4.5837   88.359   6.0775   92.043   6.9805  108.318   3.7632  110.402   4.2407 -2.084496 5.669649 
1 1 1    4   27    5 o   53.231   5.1851   21.765   4.0630   17.076   4.8452   32.874   7.4576   46.422   7.2363   64.403   7.9342 -17.98153 10.73851 
1 1 1    4   27    6 o   81.400   3.5653   49.963   4.3270   49.813   5.6179   50.181   6.7844   80.819   4.6823   80.697   5.6749 0.1221924 7.357178 
1 1 1    4   27    7 f   31.035   7.7206   7.9134   3.5579   6.7807   4.6917   9.4462   5.4580   28.963   9.4520   33.454   10.097 -4.491047 13.83078 
1 1 1    4   27    8 o   23.277   8.1534   4.0764   3.4939   0.2348   4.6404   9.1045   5.3089   19.778   8.5589   32.554   9.9860 -12.77559 13.15203 
1 1 1    4   27    9 o   20.534   8.6044   1.4791   4.4312  -3.4124   6.3435   6.1403   6.1924   19.635   9.1011   28.134   10.691 -8.499218 14.04017 
1 1 1    4   27   10 o   31.800   6.9447   8.5129   3.2005   7.6973   4.7909   9.1703   4.3009   29.347   9.5502   32.131   8.7441 -2.784393 12.94852 
1 1 1    4   27   11 o   39.180   6.8337   12.972   3.8469   10.964   4.8874   16.243   6.2366   34.268   9.3194   41.121   10.217 -6.853519 13.82909 
1 1 1    4   27   12 o   38.580   6.5230   12.696   3.6184   12.030   6.3291   13.019   4.4102   33.613   10.979   37.866   8.0589 -4.253143 13.61890 
1 1 1    4   28    0 o   42.925   8.2167   15.377   4.7005   15.377   4.7005   15.377   4.7005   42.925   8.2167   42.925   8.2167 0.000000 0.000000 
1 1 1    4   28    1 o   23.235   7.7448   4.0628   3.1438   6.9957   4.4312   1.0903   4.4609   29.497   9.1358   20.726   8.6548 8.771095 12.58442 
1 1 1    4   28    2 o   23.048   7.8124   3.9493   3.1991   5.0018   4.3009   2.6460   4.7862   25.984   9.0494   23.167   9.2271 2.816509 12.92406 
1 1 1    4   28    3 o   14.438   6.9366  -5.9134   4.3494  -6.8586   6.6925  -5.2223   5.7226   18.805   8.9135   17.874   8.4018 0.9309273 12.24911 
1 1 1    4   28    4 o   34.954   6.6604   9.7861   3.3443   9.6566   4.3700   9.9693   5.1956   34.124   8.5941   34.434   9.7037 -0.3093491 12.96227 
1 1 1    4   28    5 o   69.489   4.6059   36.992   4.7450   36.188   6.2449   38.089   7.2985   67.980   6.2306   69.228   7.1753 -1.247330 9.502878 
1 1 1    4   28    6 o   70.918   4.8257   38.769   5.0722   45.253   5.9971   22.475   9.5066   76.391   5.2981   49.067   12.844 27.32437 13.89426 
1 1 1    4   28    7 o   15.009   6.8171  -1.5005   3.3212  -5.7776   4.3803   4.2833   5.0937   14.365   6.9165   24.989   9.6463 -10.62448 11.86965 
1 1 1    4   28    8 o   34.770   6.7422   10.015   3.3691   7.8639   4.4637   12.864   5.1361   29.876   9.1553   38.093   9.1564 -8.217478 12.94836 
1 1 1    4   28    9 o   18.305   7.8201   0.8688   3.7806   4.2132   4.8605  -4.2537   6.0153   23.953   9.3733   18.115   8.5453 5.838648 12.68387 
1 1 1    4   28   10 o   40.370   5.6434   13.337   3.3039   13.945   5.0221   12.873   4.3870   38.924   8.8533   38.041   7.9890 0.8836823 11.92499 
1 1 1    4   28   11 o   36.100   6.2833   11.111   3.2591   18.334   4.9065   5.4073   4.3599   45.456   7.5012   24.410   9.0341 21.04563 11.74239 
1 1 1    4   28   12 o   29.592   7.3730   8.1295   3.2411   12.649   4.8838   4.5722   4.3328   35.240   9.1971   22.554   8.8432 12.68635 12.75887 
1 1 1    4   29    0 o  113.201   3.7389   96.394   6.2949   96.394   6.2949   96.394   6.2949  113.201   3.7389  113.201   3.7389 0.000000 0.000000 
1 1 1    4   29    1 o   66.767   3.5343   33.809   3.5058   35.178   5.0301   32.516   4.8889   67.527   5.0322   64.882   5.0948 2.645668 7.160966 
1 1 1    4   29    2 o   21.528   7.8791   3.1945   3.3016   4.8167   4.3938   1.0908   5.0036   25.408   9.1192   21.375   9.0596 4.032890 12.85441 
1 1 1    4   29    3 o   97.688   4.4691   72.990   6.5093   83.418   10.318   66.097   8.3893  102.569   6.7856   91.740   6.1692 10.82837 9.170759 
1 1 1    4   29    4 o   48.530   6.2492   18.781   4.4166   13.545   5.9897   25.020   6.5385   39.116   10.174   54.908   8.2412 -15.79133 13.09307 
1 1 1    4   29    5 o   60.502   4.1820   28.174   3.7493   33.437   5.3673   23.158   5.2397   65.165   5.5780   53.511   6.7153 11.65357 8.729768 
1 1 1    4   29    6 o   32.942   9.0396   9.6321   4.5742   9.6321   4.5742   0.0000   0.0000   32.942   9.0396  ?   ?  0.000000 9.039631 
1 1 1    4   29    7 o   72.323   3.6067   40.075   3.8891   36.923   5.1711   44.180   5.9011   68.339   5.1121   74.591   5.3414 -6.252205 7.393536 
1 1 1    4   29    8 o   17.189   7.3584   0.7271   3.3597   3.5452   4.3292  -3.5402   5.3273   22.299   8.8089   17.181   8.0856 5.118458 11.95715 
1 1 1    4   29    9 o   12.618   6.0830  -4.2330   3.4136  -7.7255   4.5452   0.2855   5.1699   13.255   6.5244   19.480   8.7052 -6.225801 10.87880 
1 1 1    4   29   10 o   18.451   7.4481   2.2039   3.1630   3.9347   4.6446   0.7070   4.3194   22.250   9.0100   18.285   8.0755 3.965244 12.09932 
1 1 1    4   29   11 o   20.321   7.5835   3.6013   3.0848   7.0519   4.5260   0.6076   4.2157   25.941   9.2612   17.636   7.8724 8.304964 12.15500 
1 1 1    4   30    0 o   19.974   11.181   4.4860   4.9966   4.4860   4.9966   4.4860   4.9966   19.974   11.181   19.974   11.181 0.000000 0.000000 
1 1 1    4   30    1 o   20.983   7.9508   2.9777   3.4188   0.0179   4.8428   5.9184   4.8271   19.604   8.6085   26.855   9.5667 -7.251078 12.86970 
1 1 1    4   30    2 o   44.255   7.3413   16.301   4.6743   21.695   13.848   15.607   4.9657   42.959   16.060   42.834   8.0716 0.1250954 17.97453 
1 1 1    4   30    3 o   25.340   8.2478   5.4187   3.5733   4.5607   5.6034   6.0067   4.6390   25.350   10.019   26.695   9.3924 -1.345558 13.73328 
1 1 1    4   30    4 o   30.640   8.3460   8.2864   3.9161   7.1785   4.5067   11.702   7.9132   28.397   9.2636   34.224   12.243 -5.826445 15.35248 
1 1 1    4   30    5 f   38.946   5.8824   12.401   3.3093   19.813   4.8399   5.8941   4.5352   48.685   6.8577   26.064   9.2742 22.62033 11.53423 
1 1 1    4   30    6 o   26.765   7.4838   6.3126   3.1029   5.8254   4.3685   6.8088   4.4082   25.632   9.1041   27.242   9.1710 -1.609756 12.92254 
1 1 1    4   30    7 o   35.291   6.6460   10.685   3.3687   8.0783   4.2999   14.826   5.4205   29.131   8.9956   39.326   9.3767 -10.19503 12.99396 
1 1 1    4   30    8 o   29.221   8.1389   8.0334   3.6774   10.051   4.5119   4.0418   6.3469   31.973   9.0542   23.634   10.116 8.338711 13.57577 
1 1 1    4   30    9 o   35.052   7.1382   11.151   3.6038   8.5729   4.7569   14.625   5.5212   28.513   9.5272   37.282   9.8026 -8.768507 13.66964 
1 1 1    4   31    0 o   14.452   9.2054   0.8898   4.3712   0.8898   4.3712   0.8898   4.3712   14.452   9.2054   14.452   9.2054 0.000000 0.000000 
1 1 1    4   31    1 o   39.875   5.4657   12.906   3.1640   16.599   5.1213   10.625   4.0238   43.269   8.2393   34.598   7.9653 8.671566 11.46005 
1 1 1    4   31    2 o   25.354   8.5048   5.7048   3.7909  -1.3605   7.0618   8.5651   4.4932   21.071   9.7086   30.233   9.1694 -9.161228 13.35424 
1 1 1    4   31    3 o   16.750   7.1212   0.8396   3.1076   1.3883   4.3740   0.2804   4.4158   19.550   8.3832   18.470   8.1608 1.080128 11.69948 
1 1 1    4   31    4 o   24.066   8.4742   5.1306   3.7770   4.1369   4.4223   7.8100   7.2617   22.844   8.9404   28.266   11.329 -5.421698 14.43178 
1 1 1    4   31    5 o   20.050   7.9039   2.8978   3.4787   1.2308   4.2797   6.1443   5.9722   18.955   8.2111   25.830   10.301 -6.874763 13.17322 
1 1 1    4   31    6 o   50.801   4.6648   20.801   3.4938   17.249   4.7517   24.981   5.1549   43.720   7.5632   53.845   6.5564 -10.12443 10.00941 
1 1 1    4   31    7 o   30.791   7.4709   8.8331   3.3949   9.3865   4.3628   7.9837   5.4050   30.329   8.9989   27.171   10.058 3.157690 13.49624 
1 1 1    4   31    8 o   29.021   8.8176   8.8207   4.1523   8.0349   6.5786   9.3411   5.3533   26.080   10.662   28.387   10.079 -2.307167 14.67159 
1 1 1    4   32    0 o   16.067   9.5872   2.6302   4.0547   2.6302   4.0547   2.6302   4.0547   16.067   9.5872   16.067   9.5872 0.000000 0.000000 
1 1 1    4   32    1 o   21.087   8.1059   3.6231   3.5855   10.787   6.9211   0.9950   4.1919   30.673   11.376   18.403   8.0468 12.27009 13.93461 
1 1 1    4   32    2 o   28.785   7.1942   7.5242   3.0790   12.001   4.5260   3.6675   4.2008   35.219   8.6760   21.531   8.6213 13.68724 12.23111 
1 1 1    4   32    3 o   37.745   7.0494   12.744   3.8213   15.772   4.5874   5.8812   6.9070   41.430   7.7101   25.095   10.641 16.33516 13.14035 
1 1 1    4   32    4 o   27.497   7.6405   7.1621   3.2448   7.3723   4.5010   6.9346   4.6821   26.704   9.2599   25.933   9.3993 0.7712364 13.19442 
1 1 1    4   32    5 o   40.932   5.8704   14.441   3.4801   13.458   4.7090   15.625   5.1659   36.537   8.7582   39.155   9.0329 -2.618000 12.58170 
1 1 1    4   32    6 o   16.904   7.1769   1.5323   3.1487   1.7273   4.2564   1.2967   4.6796   18.492   8.0966   18.535   8.2825 -0.4279709E-01 11.58253 
1 1 1    4   33    0 o   36.847   13.655   15.990   6.9637   15.990   6.9637   15.990   6.9637   36.847   13.655   36.847   13.655 0.000000 0.000000 
1 1 1    4   33    1 o   19.143   8.4019   2.0170   4.6079   4.9868   6.5299  -0.9287   6.5034   22.952   10.039   18.848   8.8896 4.103891 13.40954 
1 1 1    4   33    2 o   21.184   8.2832   4.2275   3.7934   6.8212   4.6139  -1.1834   6.6641   24.882   9.2767   18.764   8.8942 6.118582 12.85160 
1 1 1    4   33    3 o   16.291   7.2246   0.7247   3.4920   0.5089   4.1099   1.2851   6.6222   16.944   7.6506   19.976   9.2732 -3.032379 12.02179 
1 1 1    4   33    4 o   20.763   7.6185   4.2119   3.0896   9.4335   4.3663  -1.0245   4.3725   28.822   9.0914   15.897   7.4313 12.92485 11.74216 
1 1 1    5    1    0 o  765.494   8.3424  4372.76   95.189  4372.76   95.189  4372.76   95.189  765.494   8.3424  765.494   8.3424 0.000000 0.000000 
1 1 1    5    1    1 o  320.595   1.8758  766.271   8.9663  765.521   13.973  766.797   11.691  320.422   2.9248  320.697   2.4450 -0.2749634 3.812121 
1 1 1    5    1    2 o  454.315   2.2116  1538.87   14.981  1542.84   21.247  1534.94   21.126  454.877   3.1328  453.710   3.1229 1.167206 4.423499 
1 1 1    5    1    3 o  203.681   1.4906  309.295   4.5268  305.372   6.3603  313.322   6.4444  202.378   2.1079  204.996   2.1085 -2.617615 2.981390 
1 1 1    5    1    4 o  362.724   1.9729  981.007   10.670  948.089   14.651  1018.19   15.570  356.556   2.7559  369.498   2.8263 -12.94275 3.947492 
1 1 1    5    1    5 o  104.498   1.7374   81.419   2.7070   82.855   3.8342   79.991   3.8223  105.407   2.4397  103.569   2.4753 1.838020 3.475519 
1 1 1    5    1    6 o   66.547   2.1905   33.020   2.1734   36.593   3.3698   30.475   2.8439   70.048   3.2266   63.927   2.9837 6.120857 4.394719 
1 1 1    5    1    7 o  235.981   1.8326  415.178   6.4479  409.105   11.099  418.271   7.9216  234.228   3.1782  236.853   2.2432 -2.625565 3.890118 
1 1 1    5    1    8 o  162.979   1.8420  198.035   4.4759  202.909   8.5341  196.186   5.2570  164.956   3.4699  162.214   2.1736 2.741440 4.094506 
1 1 1    5    1    9 o  306.759   1.8349  701.570   8.3924  707.829   13.868  697.954   10.542  308.101   3.0190  305.959   2.3109 2.141907 3.801904 
1 1 1    5    1   10 o  468.414   2.4015  1635.97   16.772  1662.79   25.911  1616.64   22.003  472.180   3.6804  465.606   3.1696 6.573761 4.857140 
1 1 1    5    1   11 o  440.900   2.0879  1449.45   13.725  1475.30   24.092  1437.03   16.701  444.728   3.6333  438.986   2.5516 5.742523 4.439813 
1 1 1    5    1   12 f  156.878   2.0753  183.522   4.8542  203.822   10.213  177.598   5.5172  165.259   4.1451  154.319   2.3979 10.94078 4.788663 
1 1 1    5    1   13 o  210.587   1.8550  330.706   5.8242  339.023   10.101  326.564   7.1285  213.152   3.1784  209.247   2.2849 3.905670 3.914488 
1 1 1    5    1   14 o   56.488   4.1089   23.962   3.4369   16.695   5.0729   30.128   4.6726   46.575   7.5648   63.280   4.9931 -16.70520 9.064046 
1 1 1    5    1   15 o  109.710   2.3909   89.808   3.9110   85.816   6.7791   91.799   4.7882  107.143   4.2437  110.897   2.8959 -3.754097 5.137568 
1 1 1    5    1   16 o  291.389   2.1139  633.509   9.1837  671.167   19.230  622.382   10.453  299.529   4.3059  288.780   2.4277 10.74832 4.943111 
1 1 1    5    1   17 o   82.796   3.2257   51.220   3.9820   48.605   7.1591   52.391   4.7917   80.209   6.0305   83.699   3.8397 -3.489342 7.149156 
1 1 1    5    1   18 o   54.503   4.4890   22.418   3.6155   25.226   6.6407   21.235   4.3103   57.136   8.0159   52.862   5.5518 4.273781 9.750743 
1 1 1    5    1   19 o   69.840   3.8738   36.702   4.0180   53.952   9.3660   32.812   4.4481   83.747   7.5832   65.903   4.5548 17.84380 8.845979 
1 1 1    5    1   20 o   35.311   6.7707   9.8837   3.4349   6.8347   7.0657   10.827   3.9306   31.237   11.512   36.813   7.4177 -5.575745 13.69494 
1 1 1    5    1   21 o   73.963   4.0980   41.620   4.5014   45.124   7.5557   39.692   5.6047   75.748   6.7612   71.750   5.2761 3.997337 8.576159 
1 1 1    5    1   22 o   25.431   8.1708   5.3165   3.5144   14.611   10.236   4.0744   3.7418   38.633   13.913   23.321   8.4103 15.31242 16.25740 
1 1 1    5    2    0 o  463.068   3.9276  1599.16   27.113  1599.16   27.113  1599.16   27.113  463.068   3.9276  463.068   3.9276 0.000000 0.000000 
1 1 1    5    2    1 o  317.466   1.9165  751.398   9.0714  749.343   11.534  754.731   14.688  317.023   2.4402  318.148   3.0965 -1.124817 3.942401 
1 1 1    5    2    2 o  356.542   2.0595  947.786   10.948  930.464   17.008  960.043   14.307  353.239   3.2293  358.826   2.6741 -5.586487 4.192791 
1 1 1    5    2    3 o  277.091   1.6742  572.442   6.9166  568.029   9.7328  576.945   9.8311  276.006   2.3651  278.163   2.3705 -2.157410 3.348554 
1 1 1    5    2    4 o  519.315   2.5115  2011.16   19.446  2009.60   27.529  2012.70   27.472  519.027   3.5574  519.429   3.5472 -0.4019165 5.023761 
1 1 1    5    2    5 o  351.070   1.8421  918.972   9.6425  925.464   14.836  914.224   12.688  352.267   2.8248  350.140   2.4303 2.127502 3.726356 
1 1 1    5    2    6 o  788.490   3.3322  4636.57   39.175  4633.11   59.854  4639.17   51.814  787.997   5.0945  788.600   4.4068 -0.6026611 6.735959 
1 1 1    5    2    7 o  470.038   2.4536  1647.31   17.195  1611.60   29.310  1666.05   21.234  464.843   4.2290  472.684   3.0129 -7.841492 5.192461 
1 1 1    5    2    8 o  467.520   2.5027  1629.70   17.445  1591.53   29.759  1649.68   21.533  461.943   4.3208  470.359   3.0705 -8.416779 5.300672 
1 1 1    5    2    9 o  311.051   1.8496  721.353   8.5777  729.417   14.153  716.672   10.784  312.757   3.0351  310.030   2.3329 2.726868 3.828113 
1 1 1    5    2   10 o  565.754   2.9083  2386.79   24.533  2469.92   35.750  2312.80   33.727  575.440   4.1668  556.844   4.0624 18.59583 5.819350 
1 1 1    5    2   11 o  155.854   1.9408  181.113   4.5100  189.654   7.7604  176.758   5.5419  159.461   3.2641  153.961   2.4142 5.499863 4.059886 
1 1 1    5    2   12 o   59.221   3.4061   26.253   2.9948   31.197   5.2570   23.877   3.6439   64.387   5.5298   56.389   4.3682 7.997940 7.046958 
1 1 1    5    2   13 o  187.677   1.8957  262.672   5.3046  253.247   9.1528  267.439   6.5093  184.212   3.3325  189.357   2.3056 -5.144577 4.052307 
1 1 1    5    2   14 o  152.914   2.1507  174.417   4.9035  169.783   7.6589  177.636   6.3832  150.802   3.4064  154.288   2.7748 -3.486267 4.393500 
1 1 1    5    2   15 o  183.216   1.9895  250.404   5.4346  252.586   9.7367  249.416   6.5499  183.887   3.5513  182.828   2.4028 1.058411 4.287817 
1 1 1    5    2   16 o  186.506   2.1832  259.551   6.0710  279.204   12.847  253.900   6.8887  193.157   4.4608  184.438   2.5051 8.719055 5.116079 
1 1 1    5    2   17 o  176.431   2.3153  232.329   6.0905  238.755   12.775  230.439   6.9285  178.506   4.8000  175.680   2.6451 2.825775 5.480586 
1 1 1    5    2   18 o   72.630   4.1632   39.650   4.4895   37.145   8.5629   40.600   5.2722   69.394   8.4507   73.392   4.8454 -3.997780 9.741252 
1 1 1    5    2   19 o   82.352   3.4400   50.822   4.2238   61.829   9.7855   48.301   4.6824   89.719   7.3807   80.223   3.9147 9.495934 8.354630 
1 1 1    5    2   20 o   90.418   3.2597   61.416   4.3944   52.423   7.8875   65.464   5.2917   82.386   6.4734   93.221   3.8073 -10.83521 7.509980 
1 1 1    5    2   21 o   82.030   3.4479   50.812   4.2170   54.412   7.5737   49.194   5.0767   83.551   6.1224   80.341   4.2533 3.209900 7.454774 
1 1 1    5    3    0 o  409.525   5.2054  1251.32   31.772  1251.32   31.772  1251.32   31.772  409.525   5.2054  409.525   5.2054 0.000000 0.000000 
1 1 1    5    3    1 o  216.153   2.2534  348.359   7.2623  332.912   12.409  356.405   8.9563  211.274   3.9394  218.627   2.7476 -7.353073 4.802919 
1 1 1    5    3    2 o  360.807   1.7570  970.594   9.4520  974.239   14.537  967.925   12.440  361.457   2.6975  360.296   2.3158 1.161133 3.555208 
1 1 1    5    3    3 o  513.313   2.2828  1964.77   17.471  1957.57   26.641  1970.21   23.142  512.286   3.4880  513.975   3.0199 -1.688965 4.613632 
1 1 1    5    3    4 o  256.560   1.6831  490.781   6.4383  486.389   9.1076  495.167   9.1025  255.389   2.3918  257.684   2.3692 -2.295029 3.366606 
1 1 1    5    3    5 o  325.578   1.7821  790.340   8.6506  777.041   13.112  800.590   11.512  322.796   2.7244  327.665   2.3563 -4.868713 3.601988 
1 1 1    5    3    6 o  351.268   1.8947  919.954   9.9230  913.939   15.159  924.464   13.126  350.092   2.9041  352.114   2.5003 -2.021851 3.832124 
1 1 1    5    3    7 o  307.726   2.1723  706.026   9.9667  684.588   21.781  711.704   11.209  302.947   4.8223  308.956   2.4333 -6.009399 5.401409 
1 1 1    5    3    8 o  721.052   3.3985  3877.03   36.536  3895.26   63.747  3868.11   44.585  722.535   5.9174  720.172   4.1523 2.363525 7.228917 
1 1 1    5    3    9 o  384.745   2.5272  1103.76   14.497  1110.30   18.815  1094.19   22.744  385.858   3.2705  383.017   3.9826 2.840424 5.153375 
1 1 1    5    3   10 o  182.663   2.1795  248.777   5.9359  266.737   8.6281  232.639   8.1791  189.126   3.0598  176.624   3.1059 12.50218 4.359929 
1 1 1    5    3   11 o  217.196   2.0129  351.749   6.5184  343.411   12.087  355.168   7.7405  214.552   3.7784  218.241   2.3788 -3.688675 4.464874 
1 1 1    5    3   12 o  178.898   1.9905  238.657   5.3093  242.652   10.457  237.270   6.1628  180.315   3.8895  178.367   2.3174 1.947723 4.527508 
1 1 1    5    3   13 o  156.222   1.9718  182.012   4.5927  188.329   8.0897  179.008   5.5789  158.846   3.4157  154.912   2.4154 3.934540 4.183491 
1 1 1    5    3   14 o  175.962   2.0612  230.953   5.4076  240.371   8.9337  225.507   6.7935  179.433   3.3393  173.845   2.6210 5.587418 4.245069 
1 1 1    5    3   15 o   59.634   3.8761   26.688   3.4277   22.790   5.6185   28.999   4.3260   54.624   7.0641   62.079   4.7088 -7.455276 8.489717 
1 1 1    5    3   16 o  122.070   2.4886  111.222   4.5294  115.512   9.3630  109.912   5.1753  124.163   5.0577  121.325   2.8610 2.838371 5.810792 
1 1 1    5    3   17 o   56.626   4.3787   24.151   3.6681   35.610   8.0961   21.191   4.1147   68.141   8.1294   52.888   5.2890 15.25268 9.698524 
1 1 1    5    3   18 o   84.887   3.6896   53.941   4.6697   72.155   10.208   49.120   5.2514   97.396   7.0777   80.821   4.3743 16.57499 8.320308 
1 1 1    5    3   19 o   46.054   5.6760   16.279   3.8150   26.790   9.2631   14.132   4.1865   57.436   11.219   42.583   6.8245 14.85308 13.13190 
1 1 1    5    3   20 o   61.390   3.9237   28.538   3.5726   28.083   6.9741   28.700   4.1599   59.451   8.0770   61.394   4.5774 -1.942871 9.283890 
1 1 1    5    3   21 o   22.702   8.0345   3.7532   3.3994   7.6465   6.3709   2.2036   4.0194   30.934   10.994   21.122   8.4417 9.812359 13.86084 
1 1 1    5    4    0 o  262.538   2.9521  514.114   11.552  514.114   11.552  514.114   11.552  262.538   2.9521  262.538   2.9521 0.000000 0.000000 
1 1 1    5    4    1 o   98.949   1.6521   72.998   2.4373   67.943   4.3268   75.348   2.9498   95.449   3.0403  100.526   1.9681 -5.077545 3.621739 
1 1 1    5    4    2 o  341.952   1.8690  871.849   9.5290  832.020   16.195  892.941   11.785  333.994   3.2521  346.049   2.2841 -12.05539 3.974090 
1 1 1    5    4    3 o  304.397   1.7795  690.870   8.0763  686.329   14.114  693.080   9.8478  303.340   3.1207  304.871   2.1665 -1.530670 3.799026 
1 1 1    5    4    4 o  138.646   1.5914  143.322   3.2898  148.905   5.9198  140.828   3.9571  141.301   2.8099  137.430   1.9312 3.870438 3.409537 
1 1 1    5    4    5 o  219.746   1.5702  360.017   5.1446  354.148   7.8402  364.455   6.8175  217.934   2.4129  221.089   2.0682 -3.155029 3.177947 
1 1 1    5    4    6 o  388.903   1.8692  1127.63   10.838  1123.59   15.302  1131.69   15.353  388.187   2.6439  389.584   2.6432 -1.397064 3.738544 
1 1 1    5    4    7 o  609.008   2.5549  2765.41   23.199  2765.97   32.874  2764.85   32.743  609.020   3.6203  608.897   3.6066 0.1223145 5.110231 
1 1 1    5    4    8 o  302.860   2.0682  683.866   9.3389  683.823   13.300  683.908   13.116  302.833   2.9456  302.853   2.9047 -0.1971436E-01 4.136942 
1 1 1    5    4    9 o  595.452   3.2584  2644.04   28.928  2659.35   32.516  2585.92   63.353  597.150   3.6521  588.514   7.2200 8.635437 8.091131 
1 1 1    5    4   10 o  258.823   2.1564  499.485   8.3214  501.628   11.797  497.364   11.740  259.355   3.0507  258.250   3.0490 1.104614 4.313092 
1 1 1    5    4   11 o  550.658   2.8810  2261.53   23.653  2330.91   34.432  2199.53   32.549  558.907   4.1320  542.941   4.0208 15.96570 5.765432 
1 1 1    5    4   12 o  104.578   2.3041   81.566   3.5926   78.366   6.0967   83.268   4.4466  102.463   3.9908  105.653   2.8228 -3.189438 4.888167 
1 1 1    5    4   13 o  217.171   1.8687  351.731   6.0506  352.978   10.352  351.084   7.4571  217.476   3.1925  216.949   2.3054 0.5263824 3.937877 
1 1 1    5    4   14 o   74.913   3.2578   41.898   3.6387   35.392   7.0817   44.231   4.2414   68.310   7.0547   76.954   3.6966 -8.643639 7.964504 
1 1 1    5    4   15 o  170.676   2.1564  217.338   5.4874  236.457   11.634  211.867   6.2231  177.801   4.3884  168.493   2.4772 9.308701 5.039302 
1 1 1    5    4   16 o   96.968   2.9160   70.219   4.2158   81.917   8.8386   66.774   4.7966  104.325   5.7039   94.529   3.4033 9.795288 6.642053 
1 1 1    5    4   17 o   60.806   4.9848   27.909   4.4795   32.032   7.5920   25.707   5.5481   64.576   8.0608   58.076   6.5200 6.499847 10.36760 
1 1 1    5    4   18 f   41.007   6.6866   13.031   3.9472   18.581   8.0925   11.299   4.5216   47.998   11.465   37.812   8.2522 10.18603 14.12636 
1 1 1    5    4   19 o  131.875   2.8041  130.159   5.5134  153.384   18.182  127.807   5.7858  140.542   8.7200  130.646   2.9703 9.895905 9.211961 
1 1 1    5    4   20 o   46.448   5.3028   16.649   3.6065   19.888   7.8374   15.779   4.0622   48.454   11.088   44.915   6.2341 3.539764 12.72073 
1 1 1    5    4   21 o   23.568   7.9836   4.2716   3.3408   1.6425   6.2315   5.3321   3.9576   23.850   10.109   25.957   8.6900 -2.107433 13.33099 
1 1 1    5    5    0 o  548.501   4.5690  2244.45   37.359  2244.45   37.359  2244.45   37.359  548.501   4.5690  548.501   4.5690 0.000000 0.000000 
1 1 1    5    5    1 o  372.586   2.4930  1035.23   13.849  1038.34   19.592  1032.13   19.578  373.084   3.5222  371.966   3.5302 1.117798 4.986775 
1 1 1    5    5    2 o  241.459   1.8098  434.717   6.5155  419.437   10.175  445.337   8.4828  237.144   2.8778  244.376   2.3282 -7.231720 3.701598 
1 1 1    5    5    3 o  204.956   1.6837  313.206   5.1450  315.595   6.8965  310.208   7.7262  205.723   2.2484  203.952   2.5408 1.771301 3.392775 
1 1 1    5    5    4 o  242.922   1.4478  439.961   5.2438  440.211   7.4105  439.711   7.4213  242.980   2.0455  242.842   2.0497 0.1379700 2.895754 
1 1 1    5    5    5 o  491.936   2.1324  1804.35   15.640  1788.46   21.948  1820.75   22.294  489.729   3.0058  494.130   3.0260 -4.400391 4.265166 
1 1 1    5    5    6 o  236.185   1.8010  415.894   6.3422  414.285   8.9450  417.521   8.9936  235.717   2.5452  236.636   2.5491 -0.9185333 3.602180 
1 1 1    5    5    7 o  441.562   2.2084  1453.71   14.539  1456.22   19.293  1450.40   22.117  441.922   2.9282  441.023   3.3635 0.8991394 4.459537 
1 1 1    5    5    8 o  310.747   2.0926  719.957   9.6953  726.079   13.911  714.175   13.520  312.047   2.9900  309.480   2.9300 2.567108 4.186290 
1 1 1    5    5    9 o  444.689   2.4887  1474.47   16.500  1471.57   20.162  1480.36   28.713  444.229   3.0441  445.489   4.3228 -1.259552 5.287084 
1 1 1    5    5   10 o  251.790   2.1161  472.714   7.9439  469.461   9.6707  479.465   13.930  250.910   2.5850  253.533   3.6850 -2.622574 4.501283 
1 1 1    5    5   11 o  485.657   2.9307  1759.25   21.222  1737.90   33.414  1773.68   27.474  482.510   4.6446  487.560   3.7794 -5.049866 5.988040 
1 1 1    5    5   12 o  205.086   2.4321  313.717   7.4369  325.971   12.227  306.522   9.3693  208.967   3.9244  202.688   3.1003 6.278687 5.001299 
1 1 1    5    5   13 f  154.988   2.6829  179.228   6.1998  183.914   9.9894  176.292   7.9069  156.900   4.2702  153.671   3.4510 3.228821 5.490321 
1 1 1    5    5   14 o  154.389   2.3304  177.835   5.3644  182.605   10.283  176.051   6.2879  156.284   4.4128  153.588   2.7459 2.695892 5.197384 
1 1 1    5    5   15 o  207.700   2.2493  321.892   6.9655  335.926   13.673  316.974   8.0946  211.917   4.3274  206.072   2.6346 5.844757 5.066310 
1 1 1    5    5   16 o  176.835   2.4154  233.407   6.3683  260.687   12.466  223.774   7.4078  186.601   4.4808  173.103   2.8702 13.49797 5.321228 
1 1 1    5    5   17 o   97.204   3.8180   70.695   5.5334   85.491   8.8162   61.078   7.1077  106.532   5.5698   90.043   5.3179 16.48943 7.700843 
1 1 1    5    5   18 o   72.302   4.3797   39.373   4.6991   43.980   9.1265   37.711   5.4816   75.504   8.2410   70.597   5.2452 4.906998 9.768618 
1 1 1    5    5   19 o   71.102   4.4485   38.240   4.6923   0.0000   0.0000   38.240   4.6923  ?   ?    71.102   4.4485 0.000000 4.448544 
1 1 1    5    5   20 o   68.899   3.8701   35.962   3.9595   48.438   7.8144   31.652   4.5927   78.812   6.7141   64.337   4.8229 14.47543 8.266834 
1 1 1    5    5   21 o   77.437   3.4568   45.385   3.9911   48.211   8.4917   44.583   4.5216   77.446   7.4458   76.467   3.9797 0.9786301 8.442647 
1 1 1    5    6    0 o   9.5737   6.6406  -2.8590   3.2976  -2.8590   3.2976  -2.8590   3.2976   9.5737   6.6406   9.5737   6.6406 0.000000 0.000000 
1 1 1    5    6    1 o  136.426   1.5350  138.769   3.1223  136.933   4.1828  141.079   4.6923  135.513   2.0702  137.545   2.2881 -2.032532 3.085619 
1 1 1    5    6    2 o  311.521   1.7743  723.588   8.2411  710.498   11.675  736.586   11.634  308.662   2.5369  314.280   2.4828 -5.618073 3.549730 
1 1 1    5    6    3 o  109.288   1.7544   89.052   2.8586   84.069   4.8531   91.700   3.5375  106.170   3.0658  110.897   2.1395 -4.726845 3.738515 
1 1 1    5    6    4 o  405.968   1.9926  1228.81   12.061  1213.28   18.296  1240.74   16.040  403.357   3.0423  407.913   2.6373 -4.556030 4.026235 
1 1 1    5    6    5 o  409.661   2.2038  1251.27   13.460  1273.33   19.403  1230.81   18.689  413.227   3.1493  406.270   3.0853 6.956543 4.408769 
1 1 1    5    6    6 o  574.165   3.0784  2458.23   26.353  2389.89   40.616  2507.92   34.633  566.027   4.8127  579.889   4.0057 -13.86194 6.261605 
1 1 1    5    6    7 o  382.832   2.0515  1092.71   11.710  1106.85   18.261  1082.84   15.260  385.271   3.1790  381.084   2.6857 4.186462 4.161602 
1 1 1    5    6    8 o  209.887   1.8643  328.443   5.8342  346.594   9.2275  316.356   7.5304  215.593   2.8707  205.981   2.4520 9.611893 3.775304 
1 1 1    5    6    9 o   95.597   2.6545   68.145   3.7836   62.815   5.8843   71.902   4.9402   91.764   4.3008   98.189   3.3745 -6.425522 5.466668 
1 1 1    5    6   10 o  331.865   2.2515  821.239   11.140  824.012   15.878  818.550   15.634  332.384   3.2041  331.282   3.1652 1.101471 4.503849 
1 1 1    5    6   11 o  197.034   2.1701  289.510   6.3752  288.303   11.190  290.090   7.7574  196.557   3.8182  197.216   2.6382 -0.6596985 4.640930 
1 1 1    5    6   12 o   81.839   2.9106   49.971   3.5515   50.125   5.6482   49.870   4.5673   81.782   4.6514   81.735   3.7479 0.4708099E-01 5.973441 
1 1 1    5    6   13 o  256.029   2.1002  488.944   8.0173  494.277   12.380  485.092   10.522  257.323   3.2267  254.966   2.7678 2.357742 4.251170 
1 1 1    5    6   14 o  101.914   2.6586   77.516   4.0397   71.143   8.1339   79.602   4.6544   97.287   5.6316  103.260   3.0231 -5.973022 6.391749 
1 1 1    5    6   15 o  152.321   2.4005  173.156   5.4517  167.826   14.550  174.027   5.8801  149.430   6.5307  152.690   2.5829 -3.259949 7.022881 
1 1 1    5    6   16 o   75.578   3.5265   42.700   3.9739   43.961   8.6301   42.360   4.4767   75.913   7.7328   75.141   4.0104 0.7723083 8.710880 
1 1 1    5    6   17 o  120.082   3.1328  107.778   5.6088  115.018   9.7170  104.161   6.8686  123.754   5.2662  117.964   3.9053 5.790024 6.556255 
1 1 1    5    6   18 o  117.777   2.9372  103.748   5.1577  115.390   10.452  100.000   5.9301  123.660   5.6687  115.560   3.4418 8.100174 6.631788 
1 1 1    5    6   19 o   86.957   3.4450   56.773   4.4664   56.135   12.220   56.871   4.7984   83.819   9.9742   86.985   3.6998 -3.165581 10.63827 
1 1 1    5    6   20 o  121.715   2.6502  111.177   4.8095  110.484   9.9812  111.386   5.4887  119.980   5.5796  121.708   3.0247 -1.727737 6.346714 
1 1 1    5    6   21 o   30.698   7.4185   7.8257   3.3576   9.9334   7.0367   7.2044   3.8207   33.691   11.584   29.264   8.3474 4.426767 14.27819 
1 1 1    5    7    0 o   55.027   5.6385   23.293   4.5148   23.293   4.5148   23.293   4.5148   55.027   5.6385   55.027   5.6385 0.000000 0.000000 
1 1 1    5    7    1 o  174.281   1.5115  226.460   3.9275  214.044   7.5886  231.003   4.5901  169.408   3.0044  176.017   1.7490 -6.609741 3.476435 
1 1 1    5    7    2 o  312.604   1.7952  728.604   8.3671  727.778   12.053  729.373   11.624  312.403   2.5876  312.748   2.4929 -0.3456116 3.593117 
1 1 1    5    7    3 o  133.714   1.8249  133.304   3.6382  129.100   5.8849  135.905   4.6288  131.575   2.9998  135.007   2.2995 -3.432053 3.779812 
1 1 1    5    7    4 o  290.316   1.6886  628.378   7.3092  625.874   11.245  630.210   9.6179  289.720   2.6033  290.730   2.2188 -1.010071 3.420552 
1 1 1    5    7    5 o  597.286   2.8575  2660.13   25.447  2697.57   44.790  2642.28   30.922  601.337   4.9957  595.247   3.4842 6.089478 6.090708 
1 1 1    5    7    6 f  951.584   6.0311  6756.94   85.568   0.0000   0.0000  6756.94   85.568  ?   ?   951.584   6.0311 0.000000 6.031100 
1 1 1    5    7    7 o  387.962   2.0744  1122.20   11.999  1099.94   18.190  1139.35   15.966  384.065   3.1765  390.898   2.7395 -6.833588 4.194640 
1 1 1    5    7    8 o  411.952   2.3531  1265.34   14.453  1267.23   20.677  1263.54   20.210  412.222   3.3643  411.625   3.2930 0.5969849 4.707679 
1 1 1    5    7    9 o  255.029   1.9484  484.936   7.4088  492.921   11.561  479.371   9.6511  257.093   3.0159  253.548   2.5530 3.545288 3.951401 
1 1 1    5    7   10 o  149.718   2.3231  167.153   5.1857  162.636   7.3538  171.622   7.3138  147.657   3.3403  151.684   3.2339 -4.027328 4.649304 
1 1 1    5    7   11 o  196.621   2.1637  288.309   6.3430  278.072   10.926  293.513   7.7900  193.025   3.7966  198.370   2.6339 -5.344482 4.620718 
1 1 1    5    7   12 o  222.871   2.0412  370.460   6.7828  363.355   10.461  375.614   8.9098  220.653   3.1796  224.381   2.6632 -3.727676 4.147619 
1 1 1    5    7   13 o  301.338   2.3102  677.427   10.379  673.632   14.793  681.108   14.568  300.378   3.3030  302.050   3.2347 -1.671417 4.623106 
1 1 1    5    7   14 o  125.178   2.3216  116.921   4.3331  114.717   7.0483  118.260   5.4939  123.898   3.8155  125.859   2.9277 -1.961891 4.809288 
1 1 1    5    7   15 o   84.169   3.0854   52.916   3.8720   59.845   8.2505   50.959   4.3849   89.030   6.2552   82.572   3.5617 6.458298 7.198115 
1 1 1    5    7   16 f   69.117   3.6991   35.827   3.7981   28.726   8.1338   37.807   4.2951   60.824   9.2614   70.961   4.0767 -10.13720 10.11899 
1 1 1    5    7   17 o  112.187   3.3195   94.124   5.5524  121.864   14.835   89.606   5.9876  126.484   7.9062  109.422   3.6701 17.06243 8.716532 
1 1 1    5    7   18 o   28.336   8.6072   6.2248   3.9569   10.193   8.4403   5.1070   4.4796   36.897   12.687   26.795   9.2409 10.10198 15.69550 
1 1 1    5    7   19 o   75.046   3.9410   42.537   4.3942   59.182   12.285   40.095   4.7055   85.940   9.7608   72.748   4.3583 13.19245 10.68966 
1 1 1    5    7   20 o  100.883   3.5090   76.836   5.2781   90.016   9.4939   70.941   6.3498  107.799   5.9297   96.585   4.4094 11.21410 7.389474 
1 1 1    5    7   21 o   25.638   7.8458   5.4336   3.2794   8.6584   7.0265   4.5356   3.7080   31.837   11.518   24.130   8.4025 7.707796 14.25738 
1 1 1    5    8    0 o   96.120   3.9279   69.241   5.6078   69.241   5.6078   69.241   5.6078   96.120   3.9279   96.120   3.9279 0.000000 0.000000 
1 1 1    5    8    1 o   66.854   1.8839   33.324   1.8778   33.463   2.5360   33.154   2.7940   66.990   2.5390   66.678   2.8105 0.3126678 3.787529 
1 1 1    5    8    2 o  283.680   1.6274  599.981   6.8831  601.150   10.678  599.151   9.0033  283.938   2.5223  283.475   2.1302 0.4635925 3.301437 
1 1 1    5    8    3 o  247.879   1.7308  458.098   6.3967  442.295   11.353  465.448   7.7425  243.540   3.1267  249.854   2.0784 -6.313782 3.754459 
1 1 1    5    8    4 o  571.614   2.7452  2436.34   23.396  2454.11   40.880  2427.68   28.530  573.570   4.7803  570.567   3.3537 3.003296 5.839410 
1 1 1    5    8    5 o  455.624   2.3837  1547.82   16.193  1542.01   22.896  1553.63   22.906  454.733   3.3770  456.444   3.3658 -1.711578 4.767876 
1 1 1    5    8    6 o  173.974   1.9044  225.659   4.9398  234.610   7.2217  217.788   6.7717  177.382   2.7306  170.905   2.6575 6.476746 3.810324 
1 1 1    5    8    7 o  515.202   2.4531  1979.14   18.844  1937.69   28.333  2012.02   25.234  509.716   3.7282  519.426   3.2583 -9.710846 4.951317 
1 1 1    5    8    8 o  489.291   2.4055  1785.10   17.549  1773.90   26.701  1793.62   23.284  487.689   3.6721  490.420   3.1843 -2.731049 4.860422 
1 1 1    5    8    9 o  171.931   1.9930  220.408   5.1090  218.933   7.8580  221.487   6.7242  171.333   3.0761  172.340   2.6169 -1.006836 4.038645 
1 1 1    5    8   10 o  172.357   2.4158  221.544   6.2081  243.807   10.224  208.541   7.8134  180.760   3.7936  167.201   3.1342 13.55914 4.920833 
1 1 1    5    8   11 o  175.985   2.2197  230.985   5.8243  233.475   10.100  229.745   7.1290  176.854   3.8303  175.492   2.7246 1.361679 4.700515 
1 1 1    5    8   12 o  105.125   2.6490   82.455   4.1521   75.815   7.2824   85.654   5.0540  100.704   4.8502  107.126   3.1643 -6.421471 5.791121 
1 1 1    5    8   13 o  215.122   2.2643  345.254   7.2626  340.842   10.383  349.480   10.162  213.656   3.2594  216.358   3.1502 -2.701752 4.532989 
1 1 1    5    8   14 o  184.670   2.2468  254.466   6.1863  265.376   9.6963  246.976   8.0338  188.470   3.4506  181.870   2.9627 6.599411 4.547978 
1 1 1    5    8   15 o  113.089   2.9988   95.526   5.0563   88.160   8.7761   99.185   6.1862  108.265   5.4543  115.185   3.6021 -6.920044 6.536401 
1 1 1    5    8   16 o   41.891   5.9041   13.447   3.5854   2.7060   7.2432   16.933   4.1263   27.761   11.248   47.078   6.0162 -19.31757 12.75594 
1 1 1    5    8   17 o  154.034   2.6136  177.262   6.0025  182.794   11.362  175.120   7.0697  155.999   4.8849  153.034   3.0984 2.965469 5.784646 
1 1 1    5    8   18 o   61.115   4.5893   28.274   4.1513   33.215   8.0139   26.461   4.8532   65.179   8.4450   58.892   5.5943 6.286388 10.12982 
1 1 1    5    8   19 o   13.219   6.3031  -4.3187   3.4476 -13.6412   8.9615  -2.6993   3.7351   19.819   9.6264   15.257   7.0408 4.561928 11.92644 
1 1 1    5    8   20 o   35.900   7.7456   10.594   4.0242   16.937   7.0607   7.5428   4.8975   44.056   10.826   30.197   9.6396 13.85934 14.49594 
1 1 1    5    8   21 o   20.550   7.8674   2.7160   3.3691   4.0682   6.7039   2.2592   3.8969   26.224   10.747   20.655   8.2918 5.569698 13.57377 
1 1 1    5    9    0 o  209.220   2.2896  326.465   7.1403  326.465   7.1403  326.465   7.1403  209.220   2.2896  209.220   2.2896 0.000000 0.000000 
1 1 1    5    9    1 o   79.334   1.6211   46.923   1.9175   46.466   3.0410   47.225   2.4706   78.941   2.5837   79.586   2.0821 -0.6455612 3.318232 
1 1 1    5    9    2 o  549.415   2.9153  2250.88   23.881  2274.94   37.960  2235.12   30.722  552.238   4.6104  547.442   3.7640 4.796021 5.951712 
1 1 1    5    9    3 o  185.932   3.2787  257.800   9.0892   0.0000   0.0000  257.800   9.0892  ?   ?   185.932   3.2787 0.000000 3.278675 
1 1 1    5    9    4 o  167.955   1.7235  210.311   4.3160  205.919   7.5617  212.434   5.2563  166.178   3.0520  168.797   2.0886 -2.619797 3.698180 
1 1 1    5    9    5 o  293.422   1.9549  641.907   8.5524  652.385   12.318  632.155   11.884  295.791   2.7930  291.170   2.7374 4.621155 3.910782 
1 1 1    5    9    6 o  485.425   2.3439  1756.94   16.964  1795.68   26.598  1730.37   22.025  490.692   3.6356  481.714   3.0666 8.978363 4.756171 
1 1 1    5    9    7 o   77.835   2.7452   45.175   3.1858   47.319   5.0745   43.780   4.0929   79.531   4.2954   76.617   3.5829 2.913391 5.593530 
1 1 1    5    9    8 o  310.176   2.1304  717.362   9.8525  705.516   13.867  729.437   14.001  307.576   3.0239  312.748   3.0026 -5.171631 4.261369 
1 1 1    5    9    9 o  184.751   2.1167  254.519   5.8306  246.396   8.3103  262.394   8.1825  181.754   3.0666  187.566   2.9259 -5.811920 4.238552 
1 1 1    5    9   10 o  145.573   2.2956  158.043   4.9824  159.158   7.1702  157.002   6.9285  146.055   3.2926  145.065   3.2034 0.9895477 4.593810 
1 1 1    5    9   11 o  270.996   2.1896  547.748   8.8472  548.281   12.715  547.247   12.318  271.057   3.1462  270.809   3.0508 0.2477112 4.382426 
1 1 1    5    9   12 o  121.209   2.5019  109.615   4.5215  118.049   6.7273  102.666   6.1063  125.730   3.5886  117.258   3.4928 8.472412 5.007746 
1 1 1    5    9   13 o   84.992   3.1974   53.940   4.0518   57.174   5.8092   50.877   5.6541   87.319   4.4771   82.340   4.6242 4.978935 6.436496 
1 1 1    5    9   14 o  147.980   2.3550  163.427   5.1959  157.475   8.0553  167.667   6.7996  145.143   3.7223  149.833   3.0437 -4.690857 4.808318 
1 1 1    5    9   15 o  141.009   2.4901  148.439   5.2352  159.280   10.022  144.371   6.1395  145.817   4.6098  139.022   2.9619 6.794449 5.479341 
1 1 1    5    9   16 o  158.189   2.5281  186.864   5.9627  195.255   9.4160  181.247   7.7043  161.512   3.9101  155.698   3.3188 5.813858 5.128694 
1 1 1    5    9   17 o   69.462   4.4096   36.361   4.5432   40.096   8.6485   34.937   5.3393   72.053   8.1962   67.917   5.3152 4.136604 9.768774 
1 1 1    5    9   18 o   38.611   7.5947   11.823   4.2163   17.162   10.694   10.840   4.5880   45.316   14.218   36.726   8.5402 8.589367 16.58566 
1 1 1    5    9   19 o   84.694   3.1855   53.939   4.0225   54.329   8.3648   53.821   4.5878   83.503   6.7772   84.491   3.6419 -0.9877930 7.693734 
1 1 1    5    9   20 o   52.605   5.1902   21.505   4.0177   25.120   7.3610   19.971   4.7950   54.600   9.3802   50.068   6.5828 4.531868 11.45961 
1 1 1    5   10    0 o  552.587   4.5658  2277.48   37.612  2277.48   37.612  2277.48   37.612  552.587   4.5658  552.587   4.5658 0.000000 0.000000 
1 1 1    5   10    1 o  374.837   2.1894  1047.57   12.236  1059.26   19.657  1040.18   15.634  376.882   3.4981  373.495   2.8075 3.386627 4.485453 
1 1 1    5   10    2 o  234.920   1.9056  411.457   6.6745  408.142   8.6661  416.290   10.465  233.963   2.4843  236.278   2.9705 -2.315033 3.872425 
1 1 1    5   10    3 o  289.913   1.9052  626.643   8.2351  629.449   11.567  623.759   11.727  290.547   2.6701  289.230   2.7195 1.317413 3.811164 
1 1 1    5   10    4 o  275.585   1.7314  566.225   7.1140  578.992   11.151  557.463   9.2381  278.658   2.6839  273.436   2.2660 5.221710 3.512580 
1 1 1    5   10    5 o  207.765   2.0395  321.840   6.3179  331.576   10.190  315.760   8.0524  210.865   3.2412  205.785   2.6245 5.079391 4.170505 
1 1 1    5   10    6 o  385.486   2.4162  1108.00   13.887  1136.15   18.622  1072.73   20.845  390.323   3.1998  379.253   3.6864 11.07034 4.881423 
1 1 1    5   10    7 o  317.900   1.9659  753.501   9.3181  761.079   14.505  748.177   12.159  319.461   3.0454  316.758   2.5745 2.703278 3.987745 
1 1 1    5   10    8 f  153.750   2.1723  176.267   4.9798  183.122   7.2795  170.237   6.8272  156.692   3.1159  151.081   3.0308 5.611343 4.346811 
1 1 1    5   10    9 o  166.273   2.1162  206.163   5.2463  208.216   9.1035  205.143   6.4196  167.049   3.6550  165.848   2.5961 1.201157 4.483212 
1 1 1    5   10   10 o  251.722   2.1170  472.559   7.9451  463.728   11.259  481.318   11.213  249.306   3.0291  253.995   2.9610 -4.688843 4.235847 
1 1 1    5   10   11 o  142.325   2.1518  151.092   4.5663  142.939   7.0266  157.052   6.0078  138.375   3.4058  145.079   2.7774 -6.703506 4.394700 
1 1 1    5   10   12 o  113.944   2.3913   96.869   4.0625   94.159   6.2966   98.803   5.3173  112.269   3.7616  115.043   3.1000 -2.773415 4.874418 
1 1 1    5   10   13 o  112.482   2.4970   94.425   4.1877   99.017   6.7184   91.508   5.3553  115.091   3.9152  110.688   3.2450 4.403023 5.085128 
1 1 1    5   10   14 o   97.444   3.3906   70.959   4.9261   76.936   7.8687   67.108   6.3172  101.160   5.2350   94.676   4.4752 6.483856 6.887124 
1 1 1    5   10   15 o  231.740   2.4264  400.924   8.3835  399.262   14.938  401.689   10.129  230.897   4.3391  231.885   2.9298 -0.9879456 5.235568 
1 1 1    5   10   16 o   65.462   4.1363   32.231   4.0164   33.888   6.2372   31.057   5.2497   66.743   6.3440   64.024   5.5545 2.719139 8.432025 
1 1 1    5   10   17 o  137.646   2.7514  141.674   5.6467  135.376   8.5145  146.618   7.5445  134.268   4.2532  139.872   3.6177 -5.603577 5.583642 
1 1 1    5   10   18 o   87.146   3.4981   57.044   4.5452   62.986   9.6418   55.347   5.1538   90.210   7.2293   85.734   4.0318 4.475990 8.277570 
1 1 1    5   10   19 o   62.997   4.0441   30.172   3.7784   39.806   8.0417   27.443   4.2803   70.692   7.7571   59.815   4.8411 10.87746 9.143794 
1 1 1    5   10   20 f   31.158   7.2321   8.0341   3.2950   7.2716   6.5210   8.2955   3.8183   30.084   11.064   31.381   8.1042 -1.297480 13.71429 
1 1 1    5   11    0 o  256.558   2.5508  490.883   9.7551  490.883   9.7551  490.883   9.7551  256.558   2.5508  256.558   2.5508 0.000000 0.000000 
1 1 1    5   11    1 o  288.110   1.7395  618.863   7.4722  601.707   11.234  632.477   10.007  284.072   2.6523  291.252   2.3045 -7.180176 3.513566 
1 1 1    5   11    2 o  296.254   1.9361  654.360   8.5521  652.699   11.973  656.089   12.219  295.862   2.7143  296.629   2.7629 -0.7662964 3.873096 
1 1 1    5   11    3 o  332.964   2.0422  826.587   10.138  840.160   14.444  813.406   14.234  335.666   2.8861  330.278   2.8905 5.387817 4.084714 
1 1 1    5   11    4 o  112.798   2.1333   94.864   3.5878   96.958   5.0434   92.718   5.1051  114.029   2.9665  111.507   3.0706 2.522179 4.269512 
1 1 1    5   11    5 o  572.006   3.0729  2439.93   26.208  2458.24   34.273  2414.16   40.669  574.085   4.0041  568.849   4.7951 5.236084 6.247002 
1 1 1    5   11    6 o  584.180   2.6675  2544.78   23.234  2580.99   36.117  2519.21   30.347  588.214   4.1182  581.182   3.5021 7.031433 5.405975 
1 1 1    5   11    7 o   55.355   3.6266   22.955   2.9766   20.466   4.7688   24.543   3.8098   51.972   6.2816   57.174   4.5058 -5.201138 7.730499 
1 1 1    5   11    8 o  134.249   2.0935  134.393   4.1905  144.416   6.6439  127.772   5.4001  139.141   3.2026  130.887   2.7671 8.253586 4.232430 
1 1 1    5   11    9 o  211.716   1.9134  334.253   6.0399  334.450   9.3653  334.113   7.9030  211.734   2.9666  211.649   2.5044 0.8512878E-01 3.882375 
1 1 1    5   11   10 o  216.785   2.1190  350.515   6.8492  350.131   9.8698  350.873   9.5125  216.611   3.0560  216.848   2.9422 -0.2373047 4.242144 
1 1 1    5   11   11 o  138.756   2.3132  143.633   4.7856  144.570   6.9712  142.799   6.5814  139.152   3.3601  138.307   3.1916 0.8446503 4.634254 
1 1 1    5   11   12 o   68.746   3.1844   35.290   3.2640   38.881   5.2190   32.983   4.1829   71.913   4.8967   66.282   4.2551 5.631050 6.487177 
1 1 1    5   11   13 o  227.537   2.1100  386.300   7.1583  397.657   11.402  378.911   9.1964  230.710   3.3148  225.283   2.7379 5.426361 4.299284 
1 1 1    5   11   14 o  192.427   2.4099  276.411   6.9141  283.611   10.185  270.257   9.4159  194.771   3.5074  190.159   3.3211 4.612778 4.830243 
1 1 1    5   11   15 o  178.347   2.2176  237.426   5.8970  233.105   9.9644  239.755   7.3155  176.502   3.7865  179.160   2.7386 -2.658386 4.673060 
1 1 1    5   11   16 o   23.802   8.4818   3.7480   3.7946  -3.7092   5.7710   9.4275   5.0364   19.421   8.8844   34.511   9.4917 -15.08996 13.00101 
1 1 1    5   11   17 o  105.688   3.0649   83.634   4.8296   83.311   7.4531   83.868   6.3409  105.162   4.7535  105.669   4.0247 -0.5068512 6.228467 
1 1 1    5   11   18 o   49.278   4.4407   18.504   3.2276   14.824   5.5226   20.413   3.9776   42.660   8.9674   51.564   5.2469 -8.904541 10.38965 
1 1 1    5   11   19 o   53.379   4.5051   21.858   3.5520   25.787   7.1381   20.565   4.0949   55.945   8.8521   51.442   5.4206 4.503677 10.37995 
1 1 1    5   11   20 o   36.675   6.2393   10.872   3.2896   16.150   6.3969   8.9748   3.8356   42.513   10.218   32.537   7.9697 9.976742 12.95884 
1 1 1    5   12    0 o  205.935   2.5068  316.324   7.6943  316.324   7.6943  316.324   7.6943  205.935   2.5068  205.935   2.5068 0.000000 0.000000 
1 1 1    5   12    1 o  273.797   1.8306  558.912   7.4731  568.886   11.098  550.638   10.108  276.213   2.6949  271.751   2.4947 4.461578 3.672361 
1 1 1    5   12    2 o  484.772   2.4968  1752.26   18.047  1765.16   25.627  1739.57   25.418  486.505   3.5330  482.966   3.5298 3.538818 4.994130 
1 1 1    5   12    3 o  238.001   1.9060  422.325   6.7636  438.293   9.7358  407.429   9.4031  242.445   2.6933  233.753   2.6980 8.692123 3.812248 
1 1 1    5   12    4 o  372.937   2.6308  1037.09   14.628  1039.09   21.052  1035.22   20.341  373.249   3.7829  372.559   3.6619 0.6894226 5.264971 
1 1 1    5   12    5 o   77.987   2.5975   45.352   3.0203   43.089   4.8205   46.814   3.8752   75.879   4.2784   79.228   3.2805 -3.349098 5.391313 
1 1 1    5   12    6 o   95.049   2.4205   67.368   3.4302   67.447   5.3870   67.315   4.4487   95.086   3.7998   95.003   3.1407 0.8306122E-01 4.929753 
1 1 1    5   12    7 o  352.544   2.2118  926.807   11.626  947.181   20.737  917.468   14.040  356.291   3.9036  350.740   2.6848 5.551666 4.737713 
1 1 1    5   12    8 o  148.813   2.1385  165.147   4.7449  169.513   8.2279  162.971   5.8079  150.718   3.6614  147.816   2.6353 2.901520 4.511191 
1 1 1    5   12    9 o  395.001   2.3772  1163.80   14.000  1176.35   20.002  1151.74   19.603  397.015   3.3791  392.844   3.3468 4.171143 4.756027 
1 1 1    5   12   10 o  138.058   2.4646  142.198   5.0731  145.654   8.3601  140.184   6.3825  139.638   4.0155  137.045   3.1236 2.593063 5.087338 
1 1 1    5   12   11 o  116.451   2.3278  101.177   4.0416  100.644   6.3531  101.540   5.2383  116.073   3.6710  116.627   3.0125 -0.5542374 4.748839 
1 1 1    5   12   12 o  170.689   2.1126  217.374   5.3766  215.268   8.4142  218.827   6.9896  169.759   3.3244  171.212   2.7381 -1.453049 4.306822 
1 1 1    5   12   13 o   50.215   4.6369   19.044   3.4324   17.452   5.9923   19.822   4.1874   47.254   8.8299   51.093   5.5880 -3.838909 10.44948 
1 1 1    5   12   14 o  144.759   2.6515  156.492   5.7227  155.029   8.1739  157.898   8.0148  143.947   3.8085  145.288   3.6999 -1.340851 5.309823 
1 1 1    5   12   15 o   73.587   3.9960   40.670   4.3678   36.846   6.2586   44.301   6.0986   69.680   6.0853   76.589   5.3746 -6.909821 8.118979 
1 1 1    5   12   16 o  110.835   2.9767   91.882   4.9191   94.710   7.8697   90.069   6.3019  112.251   4.7021  109.614   3.8560 2.637489 6.081024 
1 1 1    5   12   17 o   78.441   3.7808   46.228   4.4218   41.970   6.9172   49.170   5.7501   73.974   6.3327   80.569   4.8087 -6.594360 7.951480 
1 1 1    5   12   18 f  122.584   2.5610  112.652   4.6808  108.570   7.5509  115.199   5.9652  119.766   4.2286  123.757   3.2328 -3.991035 5.322779 
1 1 1    5   12   19 f   33.312   7.4356   9.1443   3.5995   11.361   6.6476   8.2245   4.2815   35.899   11.201   31.226   8.8121 4.673630 14.25213 
1 1 1    5   12   20 o   17.389   7.4160   0.5640   3.3894   11.607   6.6500  -3.3114   3.9395   35.177   11.233   14.875   6.9853 20.30201 13.22784 
1 1 1    5   13    0 o   13.251   7.8373   1.4462   2.6678   1.4462   2.6678   1.4462   2.6678   13.251   7.8373   13.251   7.8373 0.000000 0.000000 
1 1 1    5   13    1 o  171.828   1.7630  220.128   4.5165  209.633   6.6160  229.287   6.1809  167.671   2.6465  175.359   2.3640 -7.688141 3.548582 
1 1 1    5   13    2 o  201.133   2.3600  301.643   7.0774  314.244   11.576  294.122   8.9436  205.259   3.7826  198.597   3.0204 6.661911 4.840532 
1 1 1    5   13    3 f  149.041   2.2361  165.627   4.9689  171.319   7.6210  161.418   6.5534  151.562   3.3725  147.124   2.9875 4.438187 4.505430 
1 1 1    5   13    4 o  507.121   2.6209  1917.72   19.817  1957.05   28.420  1880.50   27.646  512.221   3.7213  502.106   3.6929 10.11523 5.242649 
1 1 1    5   13    5 o   26.055   7.3374   5.2080   2.9716   4.7052   4.3066   5.6650   4.1056   26.335   9.0619   27.785   8.8214 -1.450031 12.64652 
1 1 1    5   13    6 o   99.477   2.5014   73.797   3.7100   75.522   5.4540   72.312   5.0614  100.612   3.6358   98.454   3.4480 2.157463 5.010741 
1 1 1    5   13    7 o   60.439   4.3264   27.408   3.8729   48.566   8.0503   21.037   4.4177   80.295   6.7880   52.753   5.7077 27.54273 8.868711 
1 1 1    5   13    8 o  107.240   2.2715   85.775   3.6320   91.390   5.6895   81.913   4.7185  110.660   3.4484  104.779   3.0204 5.881104 4.584103 
1 1 1    5   13    9 o  140.519   2.2777  147.292   4.7720  142.260   6.6087  152.773   6.8979  138.057   3.2106  143.066   3.2338 -5.009033 4.556910 
1 1 1    5   13   10 o  132.258   2.7572  130.546   5.4371  124.416   7.9072  136.044   7.4882  129.029   4.1102  134.953   3.7215 -5.924652 5.544719 
1 1 1    5   13   11 o  143.788   2.1374  154.250   4.5823  150.915   7.1348  156.591   5.9783  142.142   3.3666  144.836   2.7684 -2.694061 4.358656 
1 1 1    5   13   12 o   19.057   7.2899   1.8712   2.8912   6.3579   4.7542  -0.7619   3.6420   29.355   9.5109   17.169   7.5041 12.18607 12.11481 
1 1 1    5   13   13 o   45.662   5.5352   15.881   3.6914   14.994   5.3757   16.673   5.0778   43.745   8.5484   46.392   7.6048 -2.646328 11.44153 
1 1 1    5   13   14 o   68.183   4.0945   34.937   4.1432   29.368   5.9599   40.146   5.7637   62.078   6.5374   72.914   5.3389 -10.83624 8.440434 
1 1 1    5   13   15 o   20.651   8.1255   1.9124   3.6699   8.0170   6.0261  -1.6866   4.6270   32.707   10.714   18.554   8.2674 14.15265 13.53292 
1 1 1    5   13   16 o   17.617   7.5798  -0.1743   3.5974  -6.0430   5.9649   3.1806   4.5099   18.202   8.5628   23.877   9.1116 -5.675390 12.50371 
1 1 1    5   13   17 o   44.887   6.2760   15.679   4.0854   12.145   7.2376   17.332   4.9492   38.341   11.640   46.905   7.3156 -8.564846 13.74761 
1 1 1    5   13   18 o   65.472   3.6965   32.494   3.5936   38.748   6.1703   29.284   4.4208   70.640   5.9128   61.775   4.8384 8.865070 7.640141 
1 1 1    5   13   19 o   27.152   7.4313   6.1273   3.0960   8.0223   4.8103   4.7872   4.0453   30.593   9.5257   24.867   8.7686 5.726313 12.94703 
1 1 1    5   14    0 o  123.229   2.8992  113.410   5.3202  113.410   5.3202  113.410   5.3202  123.229   2.8992  123.229   2.8992 0.000000 0.000000 
1 1 1    5   14    1 o  277.157   1.8042  572.729   7.4554  575.807   11.709  570.629   9.6689  277.874   2.8261  276.635   2.3442 1.238281 3.671819 
1 1 1    5   14    2 o  328.803   2.6869  806.204   13.172  818.047   29.328  803.211   14.743  331.010   5.9426  328.179   3.0130 2.831604 6.662763 
1 1 1    5   14    3 o  292.450   2.2401  637.740   9.7678  639.513   15.236  636.503   12.727  292.807   3.4900  292.142   2.9219 0.6653748 4.551702 
1 1 1    5   14    4 o  428.921   2.3827  1371.90   15.238  1373.42   21.422  1370.35   21.680  429.095   3.3483  428.613   3.3925 0.4823303 4.766605 
1 1 1    5   14    5 o  283.134   2.0516  597.771   8.6609  600.218   12.147  595.242   12.352  283.677   2.8720  282.496   2.9326 1.181519 4.104685 
1 1 1    5   14    6 o  467.032   2.4970  1626.80   17.387  1637.21   30.240  1621.67   21.251  468.306   4.3309  466.240   3.0571 2.065338 5.301170 
1 1 1    5   14    7 o   58.647   3.8942   25.790   3.3858   20.349   5.7920   28.614   4.1730   51.535   7.7802   61.726   4.5667 -10.19116 9.021425 
1 1 1    5   14    8 o   45.934   4.0196   15.879   2.7252   19.021   4.2790   13.735   3.5347   50.078   5.8406   42.463   5.7293 7.615036 8.181524 
1 1 1    5   14    9 o   94.272   2.7969   66.325   3.9313   68.769   5.5385   63.844   5.5812   95.944   3.8717   92.436   4.0496 3.508568 5.602620 
1 1 1    5   14   10 o  118.884   2.4907  105.472   4.4148  101.443   6.3387  109.267   6.1523  116.523   3.6485  120.950   3.4117 -4.426735 4.995123 
1 1 1    5   14   11 o  236.495   2.1983  417.345   7.7512  406.277   13.598  422.672   9.4339  233.099   3.9127  237.947   2.6591 -4.848434 4.730784 
1 1 1    5   14   12 o  130.536   2.6815  127.240   5.2189  137.324   8.5095  121.160   6.6075  135.446   4.2137  127.307   3.4811 8.138901 5.465643 
1 1 1    5   14   13 o  118.642   2.7387  105.141   4.8446  107.113   6.9785  103.308   6.7309  119.627   3.9125  117.492   3.8423 2.135780 5.483739 
1 1 1    5   14   14 o  100.853   3.2318   76.059   4.8596   73.366   7.1487   78.372   6.6261   98.862   4.8499  102.248   4.3464 -3.386307 6.512470 
1 1 1    5   14   15 o   56.819   4.9589   24.466   4.1588   23.643   7.8607   24.785   4.9009   54.533   10.038   57.013   5.8482 -2.479942 11.61706 
1 1 1    5   14   16 o  111.044   2.7394   92.284   4.5355   85.511   7.5531   96.103   5.6719  106.473   4.7579  113.207   3.3604 -6.733803 5.824946 
1 1 1    5   14   17 o   81.865   3.2724   50.387   3.9942   53.827   6.6870   48.479   4.9802   83.854   5.3769   79.980   4.1909 3.874069 6.817266 
1 1 1    5   14   18 o  105.057   2.7671   83.024   4.3344   88.909   7.2747   79.785   5.3969  107.912   4.5215  102.701   3.5245 5.210320 5.732862 
1 1 1    5   14   19 o   45.004   5.1605   15.935   3.4002   22.106   5.6050   12.341   4.2770   51.743   7.4826   38.299   7.7559 13.44370 10.77698 
1 1 1    5   15    0 o  589.701   5.0040  2594.48   43.990  2594.48   43.990  2594.48   43.990  589.701   5.0040  589.701   5.0040 0.000000 0.000000 
1 1 1    5   15    1 f  270.238   2.3878  544.581   9.6208  534.144   13.447  555.524   13.770  267.596   3.3705  272.898   3.3842 -5.302429 4.776314 
1 1 1    5   15    2 o  152.738   2.0849  173.957   4.7478  174.801   7.6643  173.431   6.0480  153.079   3.3580  152.496   2.6600 0.5834656 4.283943 
1 1 1    5   15    3 o  280.785   2.0524  587.895   8.5921  596.188   12.074  579.387   12.230  282.724   2.8643  278.708   2.9431 4.015991 4.106780 
1 1 1    5   15    4 o  309.527   2.1071  714.445   9.7242  711.179   13.437  718.036   14.090  308.776   2.9188  310.252   3.0460 -1.476807 4.218682 
1 1 1    5   15    5 o  153.946   2.2533  176.748   5.1719  180.122   7.7560  174.046   6.9403  155.371   3.3481  152.739   3.0476 2.631378 4.527413 
1 1 1    5   15    6 o  183.069   2.0465  249.944   5.5859  254.562   7.9330  245.402   7.8668  184.716   2.8804  181.361   2.9093 3.355255 4.093993 
1 1 1    5   15    7 o   33.060   5.5084   8.3946   2.6197   7.3003   4.1040   9.1471   3.4032   30.735   8.6113   34.330   6.8883 -3.594954 11.02734 
1 1 1    5   15    8 o  171.632   1.9544  219.720   5.0013  221.457   7.7233  218.465   6.5633  172.247   3.0073  171.108   2.5727 1.138672 3.957605 
1 1 1    5   15    9 o  236.033   1.9387  415.579   6.8227  414.762   10.481  416.179   8.9880  235.702   2.9823  236.150   2.5527 -0.4482574 3.925630 
1 1 1    5   15   10 o  107.395   2.6092   86.095   4.1779   89.528   5.9988   82.861   5.8221  109.446   3.6761  105.289   3.7087 4.156723 5.221945 
1 1 1    5   15   11 o  158.244   2.3119  186.901   5.4546  192.197   9.9346  184.615   6.5262  160.257   4.1578  157.231   2.7839 3.025803 5.003737 
1 1 1    5   15   12 o   48.800   4.9301   18.043   3.5379   23.286   5.3222   13.891   4.7357   55.202   6.5972   42.192   7.8159 13.00951 10.22791 
1 1 1    5   15   13 o   91.751   3.3437   62.958   4.5741   69.622   6.7291   57.234   6.2364   96.337   4.6849   87.201   4.8153 9.135643 6.718285 
1 1 1    5   15   14 o   44.858   7.5142   15.673   4.8480   18.722   7.5288   13.514   6.3364   48.309   10.732   41.068   10.352 7.241539 14.91054 
1 1 1    5   15   15 o  163.294   2.6835  199.413   6.5335  195.513   11.897  201.098   7.8178  161.077   4.9540  163.872   3.1997 -2.795715 5.897431 
1 1 1    5   15   16 o  126.875   2.9232  120.655   5.5298  121.895   9.5684  120.033   6.7759  126.844   5.0594  126.373   3.5962 0.4712524 6.207287 
1 1 1    5   15   17 o   52.892   4.4050   21.385   3.4422   24.938   5.8190   19.472   4.2693   56.099   7.1171   49.985   5.8387 6.114666 9.205645 
1 1 1    5   15   18 o   65.997   4.2323   33.399   4.1426   27.342   7.1098   36.512   5.0973   57.277   8.5903   68.638   5.0156 -11.36105 9.947295 
1 1 1    5   15   19 o   39.058   6.1682   12.424   3.4728   10.926   5.4048   13.477   4.5322   34.501   9.9552   39.688   7.9366 -5.186836 12.73165 
1 1 1    5   16    0 o  150.095   3.0363  168.199   6.7887  168.199   6.7887  168.199   6.7887  150.095   3.0363  150.095   3.0363 0.000000 0.000000 
1 1 1    5   16    1 o  357.079   2.4812  950.942   13.210  939.860   21.726  957.442   16.638  354.860   4.1062  358.253   3.1149 -3.392853 5.154027 
1 1 1    5   16    2 o  272.222   2.1953  552.637   8.9103  550.762   11.429  555.542   14.227  271.728   2.8211  272.862   3.4971 -1.133942 4.493156 
1 1 1    5   16    3 o  392.626   2.4853  1149.78   14.549  1156.45   22.289  1144.82   19.204  393.634   3.7978  391.707   3.2883 1.927643 5.023582 
1 1 1    5   16    4 o  233.205   2.5319  405.664   8.8034  419.714   11.370  384.635   13.910  237.168   3.2154  226.974   4.1105 10.19405 5.218734 
1 1 1    5   16    5 o  175.132   2.0697  228.752   5.4044  237.936   7.6783  219.736   7.6081  178.576   2.8838  171.606   2.9735 6.970398 4.142273 
1 1 1    5   16    6 f   76.979   3.2042   44.231   3.6776   48.991   4.7802   37.326   5.7567   80.989   3.9586   70.414   5.5277 10.57516 6.799006 
1 1 1    5   16    7 o  222.986   1.8798  370.864   6.2496  376.803   9.7096  366.663   8.1661  224.686   2.8984  221.679   2.4707 3.007385 3.808534 
1 1 1    5   16    8 o  230.340   2.0302  395.800   6.9724  388.590   10.077  402.422   9.6574  228.144   2.9624  232.188   2.7896 -4.044113 4.069133 
1 1 1    5   16    9 o  103.024   2.5947   79.227   3.9856   94.146   7.5662   73.498   4.6889  112.159   4.5245   99.198   3.1703 12.96146 5.524696 
1 1 1    5   16   10 o  158.282   2.1141  186.951   4.9891  188.097   7.8728  186.183   6.4494  158.651   3.3282  157.903   2.7394 0.7474518 4.310642 
1 1 1    5   16   11 o   57.795   4.4237   25.169   3.7830   11.670   8.3298   28.677   4.2461   39.122   12.580   61.680   4.6514 -22.55840 13.41267 
1 1 1    5   16   12 o   90.946   2.8875   61.807   3.9154   59.597   6.1954   63.276   5.0523   89.013   4.6847   91.952   3.6851 -2.939445 5.960417 
1 1 1    5   16   13 o  174.885   2.2876  228.384   5.9648  231.539   9.3671  226.232   7.7360  175.880   3.5721  173.959   2.9826 1.921234 4.653560 
1 1 1    5   16   14 o  155.497   2.8973  180.844   6.7172  204.289   11.433  168.487   8.3008  164.845   4.6519  149.933   3.7132 14.91162 5.952157 
1 1 1    5   16   15 o   62.434   4.7846   29.581   4.4200   28.439   8.2028   30.048   5.2468   59.695   9.5372   62.707   5.6734 -3.011452 11.09708 
1 1 1    5   16   16 o   71.477   3.8519   38.640   4.0898   35.465   6.2866   40.970   5.3852   67.654   6.3049   73.267   4.9590 -5.612991 8.021438 
1 1 1    5   16   17 o   88.518   3.0879   59.066   4.0753   61.587   6.7864   57.644   5.0966   89.398   5.1127   87.151   3.9223 2.246902 6.443908 
1 1 1    5   16   18 o   55.422   4.4238   23.758   3.6250   24.260   6.3028   23.510   4.4313   53.851   8.1008   54.590   5.5202 -0.7382240 9.802864 
1 1 1    5   17    0 o  182.861   5.5356  250.264   15.061  250.264   15.061  250.264   15.061  182.861   5.5356  182.861   5.5356 0.000000 0.000000 
1 1 1    5   17    1 o   85.993   3.4187   55.187   4.3832   54.432   4.7852   59.119   10.926   85.393   3.7584   88.373   8.3926 -2.979889 9.195766 
1 1 1    5   17    2 o  215.592   2.0635  346.648   6.6330  351.651   9.0519  340.846   9.7478  217.105   2.7964  213.727   3.0590 3.377365 4.144533 
1 1 1    5   17    3 o   55.104   3.7445   22.774   3.0582   21.161   4.0859   24.830   4.6116   52.943   5.2452   57.366   5.4575 -4.422386 7.569422 
1 1 1    5   17    4 o  204.632   2.3042  312.361   7.0301  318.261   8.5551  300.093   12.337  206.526   2.7783  200.435   4.1282 6.090912 4.976028 
1 1 1    5   17    5 o  107.810   2.4570   86.717   3.9495   86.595   5.3655   86.862   5.8348  107.697   3.3414  107.849   3.6286 -0.1516495 4.932762 
1 1 1    5   17    6 o  110.356   2.4084   90.868   3.9628   94.407   5.5829   87.275   5.6257  112.439   3.3302  108.100   3.4905 4.339401 4.824304 
1 1 1    5   17    7 o  182.399   2.0221  248.194   5.4991  256.742   8.1685  241.108   7.4366  185.439   2.9544  179.721   2.7753 5.718750 4.053496 
1 1 1    5   17    8 o  151.466   2.0507  171.170   4.6311  172.242   7.1588  170.398   6.0729  151.854   3.1619  151.079   2.6960 0.7749176 4.155240 
1 1 1    5   17    9 o   19.696   7.4227   2.1460   2.9695   6.7479   5.1714  -0.1177   3.6271   30.304   9.9251   17.873   7.6483 12.43109 12.53016 
1 1 1    5   17   10 o  106.287   2.4703   84.347   3.9146   85.236   6.0281   83.699   5.1478  106.734   3.7880  105.817   3.2629 0.9169312 4.999519 
1 1 1    5   17   11 o   56.153   4.0167   23.734   3.3407   26.682   5.3626   21.864   4.2707   59.196   6.1664   53.667   5.4112 5.529533 8.203994 
1 1 1    5   17   12 o  195.118   2.1910  284.242   6.3741  289.093   10.023  280.947   8.2597  196.565   3.4198  193.883   2.8573 2.682526 4.456361 
1 1 1    5   17   13 o  160.786   2.3899  193.126   5.7292  196.640   9.0402  190.767   7.4064  161.998   3.7428  159.686   3.1108 2.311890 4.866796 
1 1 1    5   17   14 o   82.582   3.7243   51.174   4.5856   56.002   6.9170   47.388   6.1250   85.912   5.4279   79.053   5.2260 6.858597 7.534819 
1 1 1    5   17   15 o   58.493   4.5000   25.995   3.8944   26.206   6.2270   25.860   4.9908   57.834   7.3905   57.966   5.8549 -0.1325226 9.428671 
1 1 1    5   17   16 o   57.385   4.4494   25.172   3.7771   19.252   5.6790   29.868   5.0581   48.730   8.1008   62.143   5.5166 -13.41330 9.800822 
1 1 1    5   17   17 o   42.247   5.7468   14.139   3.5260   6.8934   5.3154   19.832   4.7119   28.945   10.061   49.773   6.5050 -20.82831 11.98104 
1 1 1    5   17   18 o   67.319   3.6532   34.741   3.6530   36.593   6.0022   33.652   4.6039   67.541   6.0235   65.644   4.7358 1.897789 7.662251 
1 1 1    5   18    0 o   95.991   3.4304   68.997   4.8955   68.997   4.8955   68.997   4.8955   95.991   3.4304   95.991   3.4304 0.000000 0.000000 
1 1 1    5   18    1 o  206.206   2.3317  317.200   7.1688  306.659   8.4681  343.866   13.468  202.720   2.8017  214.536   4.2105 -11.81573 5.057403 
1 1 1    5   18    2 o   35.395   4.9866   9.5522   2.5586   4.8937   3.5841   14.394   3.6538   25.800   8.2474   43.470   5.7808 -17.66999 10.07162 
1 1 1    5   18    3 o   69.409   3.1844   35.965   3.2955   40.308   4.3796   30.297   5.0035   73.341   4.0204   63.403   5.3427 9.937595 6.686417 
1 1 1    5   18    4 o   86.622   2.7045   55.998   3.4929   57.327   4.7184   54.387   5.1954   87.606   3.6124   85.307   4.0848 2.299126 5.452951 
1 1 1    5   18    5 o   43.603   4.7180   14.390   3.0183   15.359   3.8793   12.904   4.8047   44.875   5.9443   40.667   8.2072 4.208004 10.13375 
1 1 1    5   18    6 o  159.199   2.1456  189.098   5.0929  193.543   7.1505  184.521   7.2554  160.996   2.9789  157.189   3.0958 3.807129 4.296221 
1 1 1    5   18    7 o  186.625   2.1215  259.884   5.9032  250.594   8.1044  270.383   8.6160  183.179   2.9674  190.266   3.0372 -7.086884 4.246160 
1 1 1    5   18    8 o  172.798   2.0091  222.801   5.1762  226.949   7.9678  219.772   6.8087  174.292   3.0661  171.559   2.6618 2.732788 4.060360 
1 1 1    5   18    9 o  127.890   2.2354  122.087   4.2624  124.649   6.5870  120.242   5.5907  129.113   3.4218  126.858   2.9558 2.254639 4.521649 
1 1 1    5   18   10 o  185.198   2.2133  256.051   6.1115  251.465   10.340  258.513   7.5766  183.283   3.7839  186.017   2.7318 -2.734543 4.666941 
1 1 1    5   18   11 o  150.307   2.4637  168.747   5.5214  174.213   8.0709  163.938   7.5699  152.565   3.5481  148.017   3.4301 4.548187 4.935043 
1 1 1    5   18   12 o   49.053   5.1675   18.302   3.7224   20.662   5.4819   16.282   5.0708   51.677   7.3195   45.664   7.7232 6.012360 10.64063 
1 1 1    5   18   13 o   38.001   6.7539   11.289   3.6865   19.100   6.0666   6.7159   4.6417   49.183   8.5853   29.588   9.3781 19.59471 12.71444 
1 1 1    5   18   14 o   58.676   4.4598   26.111   3.8725   33.408   6.2492   21.562   4.9340   65.851   6.4477   52.792   6.3992 13.05937 9.084194 
1 1 1    5   18   15 o   59.257   4.8094   26.854   4.2125   30.233   6.1954   23.949   5.7448   62.152   6.7964   55.095   7.1629 7.057159 9.874131 
1 1 1    5   18   16 o   89.002   3.1775   59.789   4.2166   64.214   6.4799   56.540   5.5531   91.420   4.7705   85.989   4.3454 5.431297 6.452978 
1 1 1    5   18   17 f   35.297   6.5356   10.205   3.3128   8.7898   5.3911   11.064   4.1991   31.443   10.122   36.044   8.0205 -4.600767 12.91430 
1 1 1    5   18   18 o   62.385   3.7342   30.033   3.4574   27.145   5.5659   31.847   4.4118   57.262   6.6426   63.640   4.6825 -6.378075 8.127117 
1 1 1    5   19    0 o  178.851   2.8586  238.778   7.6183  238.778   7.6183  238.778   7.6183  178.851   2.8586  178.851   2.8586 0.000000 0.000000 
1 1 1    5   19    1 o  278.248   2.0874  577.572   8.6597  567.797   12.072  587.934   12.429  275.790   2.9359  280.633   2.9705 -4.843140 4.176490 
1 1 1    5   19    2 o  158.839   2.0004  188.210   4.7373  186.822   6.8620  189.473   6.5483  158.194   2.9093  159.324   2.7566 -1.130096 4.007849 
1 1 1    5   19    3 o   33.403   6.5339   8.6647   3.1375   8.6102   3.8174   8.7782   5.5081   33.153   7.8450   33.821   10.129 -0.6679344 12.81160 
1 1 1    5   19    4 o  178.007   2.3794  236.466   6.3150  227.133   7.4646  259.962   11.844  174.417   2.8704  186.425   4.2610 -12.00844 5.137667 
1 1 1    5   19    5 o  110.919   2.4481   91.827   4.0486   94.095   5.4694   89.078   6.0216  112.228   3.2687  109.162   3.6997 3.065514 4.936804 
1 1 1    5   19    6 o   79.085   3.4088   46.745   4.0194   43.725   6.4012   48.710   5.1645   76.110   5.6819   80.556   4.3156 -4.445694 7.134978 
1 1 1    5   19    7 o  103.214   2.5977   79.547   3.9977   73.847   5.4705   86.079   5.8563   99.365   3.6925  107.282   3.6612 -7.917175 5.199903 
1 1 1    5   19    8 f   42.348   4.7870   13.620   2.9694   20.230   4.6742   9.1470   3.8450   51.464   6.2177   34.095   7.7406 17.36913 9.928621 
1 1 1    5   19    9 o   28.562   6.9297   6.4115   2.9209   9.8349   4.4592   3.8388   3.8657   35.251   8.5680   24.077   8.5629 11.17347 12.11332 
1 1 1    5   19   10 o  189.805   2.1048  268.956   5.9565  265.392   9.2004  271.527   7.8154  188.351   3.2762  190.613   2.7500 -2.262650 4.277357 
1 1 1    5   19   11 o  101.515   3.0565   77.079   4.6262   80.528   6.5553   73.657   6.5297  103.602   4.2438   99.057   4.4212 4.545273 6.128304 
1 1 1    5   19   12 o   77.452   3.4598   44.945   3.9954   51.577   6.3965   40.702   5.1162   82.547   5.2242   73.405   4.6993 9.141869 7.026778 
1 1 1    5   19   13 o   47.657   5.2195   17.377   3.6481   21.059   5.8945   15.091   4.6445   51.754   7.8883   43.804   7.3733 7.949650 10.79771 
1 1 1    5   19   14 o   26.008   8.4641   5.2066   3.7632   6.5701   6.7424   4.5897   4.5353   30.530   11.247   25.680   9.2595 4.850172 14.56790 
1 1 1    5   19   15 o   80.127   3.3489   48.448   4.0009   52.805   6.2094   45.355   5.2316   82.877   5.0491   76.998   4.5777 5.878990 6.815333 
1 1 1    5   19   16 o   59.136   4.5528   27.031   3.9834   24.899   5.5994   29.215   5.6680   55.485   6.9189   60.492   6.3806 -5.007229 9.411851 
1 1 1    5   19   17 o   40.619   5.5725   13.264   3.2859   21.321   5.2875   8.1951   4.1941   50.530   7.2238   30.341   8.7738 20.18896 11.36498 
1 1 1    5   20    0 o  252.033   2.9078  474.056   10.924  474.056   10.924  474.056   10.924  252.033   2.9078  252.033   2.9078 0.000000 0.000000 
1 1 1    5   20    1 o  118.311   2.2131  104.451   3.9038  101.857   5.4269  107.233   5.6199  116.777   3.1169  119.817   3.1459 -3.039879 4.428467 
1 1 1    5   20    2 o   79.804   2.7988   47.553   3.3302   54.520   4.5190   39.272   4.9266   85.409   3.5487   72.283   4.5952 13.12653 5.805966 
1 1 1    5   20    3 o  272.160   2.2972  552.807   9.3218  543.971   11.739  567.889   15.337  269.885   2.9173  275.597   3.7325 -5.712280 4.737307 
1 1 1    5   20    4 o  128.960   2.4481  124.145   4.7071  126.733   5.9119  119.665   7.7800  130.249   3.0442  126.456   4.1264 3.793358 5.127808 
1 1 1    5   20    5 o  119.425   2.3926  106.471   4.2604  104.484   5.7641  108.862   6.3250  118.236   3.2697  120.664   3.5157 -2.427589 4.801180 
1 1 1    5   20    6 o  123.065   2.7919  113.133   5.1228  112.949   8.1713  113.252   6.5755  122.772   4.4639  123.049   3.5841 -0.2771835 5.724715 
1 1 1    5   20    7 o  145.396   2.2909  157.833   4.9663  160.248   6.9202  155.268   7.1314  146.405   3.1702  144.092   3.3194 2.312836 4.590096 
1 1 1    5   20    8 o  128.003   2.8216  122.449   5.3850  122.973   8.1561  122.044   7.1700  128.072   4.2713  127.667   3.7668 0.4047012 5.694940 
1 1 1    5   20    9 o  155.621   2.3952  180.890   5.5576  170.566   7.7661  191.726   7.9565  150.958   3.4505  160.070   3.3338 -9.111633 4.797929 
1 1 1    5   20   10 f   68.854   3.5497   35.597   3.6317   40.497   5.6565   32.162   4.7370   73.162   5.2198   65.218   4.9075 7.944351 7.164477 
1 1 1    5   20   11 o  105.721   2.7963   83.594   4.4077   82.438   6.9850   84.359   5.6817  104.722   4.4736  106.091   3.5919 -1.369476 5.737178 
1 1 1    5   20   12 o   51.182   4.8758   19.943   3.6758   19.836   5.7845   20.014   4.7606   50.196   7.9974   50.897   6.4160 -0.7008362 10.25295 
1 1 1    5   20   13 o   85.850   3.8638   55.512   4.9456   51.646   8.4291   57.541   6.1074   81.593   6.9964   87.064   4.7226 -5.470413 8.441123 
1 1 1    5   20   14 o   32.298   7.4846   8.5006   3.5337   8.8685   5.5931   8.2561   4.5588   32.678   10.287   31.570   9.1526 1.107327 13.76957 
1 1 1    5   20   15 o   50.865   4.7645   20.049   3.5712   22.031   5.4483   18.555   4.7288   52.145   7.1998   48.000   6.7976 4.145344 9.901708 
1 1 1    5   20   16 o   16.798   7.3597  -0.1337   3.5218   5.5204   4.9138  -6.1064   5.0503   26.170   9.6070   15.480   7.4466 10.68994 12.15511 
1 1 1    5   20   17 o   28.716   7.4440   7.2280   3.2135   4.6634   5.2391   8.7747   4.0688   24.524   9.6896   31.053   8.5275 -6.529064 12.90761 
1 1 1    5   21    0 o  255.759   2.9096  488.234   11.092  488.234   11.092  488.234   11.092  255.759   2.9096  255.759   2.9096 0.000000 0.000000 
1 1 1    5   21    1 o   61.097   3.1536   27.968   2.8629   33.059   4.0123   22.688   4.0863   66.337   4.0764   54.770   5.0612 11.56704 6.498666 
1 1 1    5   21    2 o  129.671   2.2628  125.508   4.3748  124.238   5.9732  126.978   6.4253  128.942   3.1070  130.336   3.3064 -1.393539 4.537175 
1 1 1    5   21    3 o   36.570   5.3976   10.255   2.8546   8.0806   3.7905   13.104   4.3388   32.044   7.9676   41.046   7.3601 -9.001980 10.84682 
1 1 1    5   21    4 o   96.776   2.7095   69.957   3.9096   59.017   5.0220   86.786   6.2289   88.804   3.7929  107.679   3.8798 -18.87462 5.425784 
1 1 1    5   21    5 o   92.141   2.7712   63.431   3.8071   60.613   5.0047   67.302   5.8654   89.991   3.7300   94.782   4.1505 -4.791008 5.580259 
1 1 1    5   21    6 o  112.619   2.7088   94.764   4.5484   93.794   6.4022   95.753   6.4630  111.914   3.8369  113.077   3.8335 -1.163185 5.423760 
1 1 1    5   21    7 o  110.152   2.6552   90.665   4.3607   93.780   5.9393   87.022   6.4231  111.925   3.5591  107.757   3.9979 4.167519 5.352566 
1 1 1    5   21    8 o   76.507   3.4810   43.823   3.9707   43.129   5.2259   44.770   6.1075   75.631   4.6570   76.923   5.3586 -1.291870 7.099464 
1 1 1    5   21    9 o  137.368   2.3620  140.971   4.8376  133.315   7.3001  146.966   6.4595  133.387   3.6707  140.154   3.0912 -6.766479 4.798890 
1 1 1    5   21   10 o   97.355   3.2655   70.979   4.7400   70.646   6.3806   71.389   7.0806   96.945   4.4143   97.241   4.8995 -0.2960281 6.594776 
1 1 1    5   21   11 o  138.090   2.6168  142.658   5.3878  159.969   8.2821  129.957   7.0941  145.942   3.8062  131.589   3.6158 14.35349 5.249866 
1 1 1    5   21   12 o   23.889   8.5445   3.9208   3.8543   5.8100   5.5754   2.1915   5.3342   28.625   10.273   23.685   9.6322 4.940741 14.08212 
1 1 1    5   21   13 o   46.130   6.3208   16.707   4.2330   12.555   9.2623   17.803   4.7590   38.489   13.287   47.410   6.9378 -8.920753 14.98926 
1 1 1    5   21   14 o   61.276   4.0949   28.711   3.7196   24.796   5.6292   31.745   4.9555   55.635   6.9369   63.947   5.2437 -8.311684 8.695842 
1 1 1    5   21   15 o   63.335   5.3955   31.589   5.0464   29.788   5.7225   37.887   10.702   60.840   6.4047   63.779   11.685 -2.939377 13.32493 
1 1 1    5   21   16 o   39.171   6.7994   12.879   3.8270   7.6776   5.2130   18.959   5.6361   28.915   9.9688   46.399   8.4587 -17.48400 13.07389 
1 1 1    5   22    0 o   51.426   5.2199   20.378   3.9079   20.378   3.9079   20.378   3.9079   51.426   5.2199   51.426   5.2199 0.000000 0.000000 
1 1 1    5   22    1 o  132.224   2.2363  130.523   4.4088  137.167   6.2638  124.000   6.2065  135.457   3.1015  128.776   3.2325 6.680923 4.479737 
1 1 1    5   22    2 o  161.525   2.1837  194.775   5.2591  198.954   7.3233  190.325   7.5573  163.145   3.0106  159.544   3.1770 3.601089 4.376889 
1 1 1    5   22    3 o  138.698   2.5304  143.692   5.2327  145.469   6.3997  140.109   9.0888  139.488   3.0772  136.676   4.4601 2.811417 5.418629 
1 1 1    5   22    4 o  165.935   2.5789  205.704   6.3802  206.270   7.4719  204.181   12.259  166.098   3.0172  164.839   4.9880 1.258942 5.829535 
1 1 1    5   22    5 o   44.214   6.2835   15.050   4.0256   16.528   4.7165   11.084   7.7259   46.192   7.0735   37.850   12.110 8.342205 14.02441 
1 1 1    5   22    6 o   80.263   3.6574   48.256   4.3769   53.360   5.0489   32.821   8.7801   84.360   4.0142   64.738   9.3688 19.62156 10.19250 
1 1 1    5   22    7 o   88.113   4.0401   58.236   5.3077   61.571   6.6620   52.440   8.7822   90.328   4.9657   82.774   7.1874 7.553810 8.735936 
1 1 1    5   22    8 f  194.197   2.3640  281.772   6.8447  277.751   9.3279  286.463   10.075  192.615   3.2480  195.559   3.4554 -2.943283 4.742319 
1 1 1    5   22    9 o   65.260   4.1161   32.114   3.9845   33.469   5.3737   30.459   5.9385   66.343   5.4818   63.037   6.4075 3.305649 8.432442 
1 1 1    5   22   10 o   79.534   3.9089   47.538   4.6353   39.404   7.5677   52.422   5.8641   71.396   7.2078   83.232   4.7450 -11.83598 8.629466 
1 1 1    5   22   11 o   87.201   3.2379   57.082   4.2098   57.435   6.7098   56.852   5.4063   86.849   5.2057   86.827   4.1761 0.2202606E-01 6.673811 
1 1 1    5   22   12 o   49.165   6.2192   18.893   4.4569   18.290   6.8629   19.334   5.8611   46.711   10.145   48.890   8.3398 -2.179367 13.13264 
1 1 1    5   22   13 o   57.614   4.6121   25.534   3.9286   18.821   6.9503   28.686   4.7624   46.631   10.274   60.791   5.3076 -14.16035 11.56398 
1 1 1    5   22   14 o   32.352   7.7114   8.8575   3.6671   13.881   6.6004   6.6145   4.4104   38.757   10.943   27.919   9.1669 10.83855 14.27482 
1 1 1    5   22   15 o   13.571   6.3948  -2.9826   3.3523  -3.2401   5.1064  -2.7876   4.4439   17.185   8.0327   16.212   7.5493 0.9737530 11.02339 
1 1 1    5   22   16 o   48.910   4.8479   19.146   3.4887   30.371   5.4587   11.396   4.5360   60.521   6.1342   34.963   8.7285 25.55764 10.66839 
1 1 1    5   23    0 o   59.796   5.0915   27.322   4.4636   27.322   4.4636   27.322   4.4636   59.796   5.0915   59.796   5.0915 0.000000 0.000000 
1 1 1    5   23    1 o   54.977   3.8701   22.760   3.1521   22.302   4.4082   23.238   4.5088   54.134   5.5397   55.269   5.5464 -1.135078 7.839057 
1 1 1    5   23    2 o   48.305   4.6592   17.687   3.3140   19.862   4.4278   14.916   4.9970   50.969   5.9378   43.602   7.9807 7.367558 9.947363 
1 1 1    5   23    3 o  131.751   2.4287  129.682   4.7708  129.780   6.4088  129.560   7.1450  131.688   3.2641  131.514   3.6438 0.1741180 4.892005 
1 1 1    5   23    4 o   72.560   3.3410   39.414   3.6145   43.278   4.7987   34.348   5.4950   75.816   4.2624   67.274   5.5273 8.542633 6.979891 
1 1 1    5   23    5 o  107.055   4.3881   86.082   7.0042   0.0000   0.0000   86.082   7.0042  ?   ?   107.055   4.3881 0.000000 4.388116 
1 1 1    5   23    6 o   69.864   3.6770   36.687   3.8167   35.053   4.8486   39.349   6.1885   68.087   4.8071   71.931   5.8202 -3.844360 7.548714 
1 1 1    5   23    7 o   96.887   3.1559   70.282   4.5589   67.151   5.9309   74.803   7.1272   94.547   4.2073   99.676   4.7958 -5.128746 6.379721 
1 1 1    5   23    8 o   28.524   8.1728   6.4165   3.6543   4.5270   4.7609   9.1261   5.7013   26.144   9.4777   33.939   10.337 -7.794638 14.02409 
1 1 1    5   23    9 o   52.438   4.8772   20.943   3.7695   20.700   5.3972   21.174   5.2669   51.492   7.2292   52.177   6.9426 -0.6852264 10.02308 
1 1 1    5   23   10 o   51.774   5.5280   20.617   4.2014   26.062   7.2151   17.824   5.1679   57.092   8.7554   47.459   7.5567 9.632534 11.56553 
1 1 1    5   23   11 o   97.164   2.9624   70.926   4.2917   68.111   6.6372   72.948   5.6261   94.666   4.7024   98.283   3.8393 -3.617722 6.070676 
1 1 1    5   23   12 o   96.403   2.9843   70.020   4.2895   64.686   6.6139   73.891   5.6353   91.752   4.8520   98.698   3.8295 -6.945671 6.181179 
1 1 1    5   23   13 o   59.657   4.0838   27.355   3.6105   28.049   5.5580   26.848   4.7490   59.154   6.4041   58.385   5.5210 0.7692719 8.455415 
1 1 1    5   23   14 o   29.206   8.0430   7.4538   3.6137   2.5433   6.1878   9.9953   4.4516   23.595   10.041   33.423   8.8088 -9.827991 13.35690 
1 1 1    5   23   15 o   11.266   5.5317  -5.6828   3.2030  -7.9210   4.8122  -3.9027   4.2917   13.776   6.7677   14.884   7.0789 -1.107694 9.793551 
1 1 1    5   24    0 o  174.206   3.0618  226.783   7.9470  226.783   7.9470  226.783   7.9470  174.206   3.0618  174.206   3.0618 0.000000 0.000000 
1 1 1    5   24    1 o  129.376   2.3440  125.058   4.5215  127.490   6.3356  122.534   6.4547  130.493   3.2563  127.909   3.3846 2.583450 4.696713 
1 1 1    5   24    2 o  163.906   2.2622  200.698   5.5285  207.485   7.6770  193.388   7.9681  166.503   3.0924  160.698   3.3256 5.805069 4.541230 
1 1 1    5   24    3 o   56.886   3.9088   24.391   3.2951   25.082   4.4422   23.546   4.9134   57.443   5.2445   55.465   6.0390 1.978062 7.998389 
1 1 1    5   24    4 o   11.562   5.6408  -5.7804   3.1725  -6.7652   4.1900  -4.4573   4.8567   13.725   6.6467   16.798   7.8456 -3.072702 10.28259 
1 1 1    5   24    5 o   22.619   8.8419   2.5124   4.3215  -0.3730   6.4750   4.8300   5.8030   23.334   10.104   27.873   10.401 -4.538734 14.50093 
1 1 1    5   24    6 o   47.092   6.0852   17.087   4.1726   20.426   5.6274   13.009   6.2189   51.132   7.6138   40.023   10.346 11.10864 12.84553 
1 1 1    5   24    7 o   46.227   5.6059   16.419   3.7848   14.433   4.9225   19.290   5.9191   42.644   8.0370   49.365   8.3391 -6.721386 11.58159 
1 1 1    5   24    8 o  101.169   3.0732   76.741   4.6356   79.991   6.5162   73.411   6.5960  103.023   4.2422   98.632   4.4853 4.390938 6.173656 
1 1 1    5   24    9 o  100.568   3.1681   75.953   4.7504   78.753   7.1091   73.694   6.3851  101.967   4.6761   98.747   4.3369 3.220551 6.377622 
1 1 1    5   24   10 o   22.615   7.8518   3.7241   3.2367   8.7779   5.0932   0.3003   4.1921   32.559   9.7373   19.223   8.2240 13.33680 12.74554 
1 1 1    5   24   11 o   32.993   7.1218   8.9008   3.4007   4.0455   5.2534   12.403   4.4616   25.205   9.7775   38.722   7.9929 -13.51736 12.62880 
1 1 1    5   24   12 o   40.444   6.1937   13.178   3.6159   11.542   6.5933   13.881   4.3241   35.434   11.171   40.941   7.3542 -5.506824 13.37471 
1 1 1    5   24   13 o   19.613   7.7978   2.2447   3.4128   4.8146   4.8263  -0.3253   4.8264   24.886   9.4427   19.020   8.4614 5.866350 12.67909 
1 1 1    5   24   14 o   35.448   6.9676   10.791   3.5512   10.754   4.9694   10.830   5.0768   33.563   9.5013   33.580   9.6365 -0.1693726E-01 13.53278 
1 1 1    5   25    0 o   51.294   6.0621   20.542   4.4660   20.542   4.4660   20.542   4.4660   51.294   6.0621   51.294   6.0621 0.000000 0.000000 
1 1 1    5   25    1 o   75.112   3.1525   42.254   3.5305   43.832   4.8892   40.534   5.1033   76.230   4.3195   73.216   4.6998 3.013893 6.383264 
1 1 1    5   25    2 o  100.766   2.7688   75.969   4.1598   79.833   5.6614   71.436   6.1325  103.154   3.6810   97.481   4.2193 5.672745 5.599335 
1 1 1    5   25    3 f  115.289   2.6868   99.433   4.6184  102.798   6.0655   94.791   7.1242  117.086   3.4745  112.270   4.2560 4.815758 5.494165 
1 1 1    5   25    4 o   96.417   2.8537   69.589   4.1024   67.435   5.5388   72.205   6.1059   94.741   3.9211   97.983   4.1795 -3.241936 5.730938 
1 1 1    5   25    5 o   58.697   4.5238   26.119   3.9285   27.697   5.0243   23.636   6.3017   60.179   5.6664   54.871   7.9330 5.307716 9.748900 
1 1 1    5   25    6 o   50.223   5.0982   19.283   3.7647   20.649   4.8190   17.143   6.0306   51.637   6.3961   46.117   9.0937 5.519798 11.11780 
1 1 1    5   25    7 o   30.633   8.8572   7.5561   4.2744   8.7647   4.7437   2.3378   9.8568   32.843   9.2781   29.976   12.711 2.866692 15.73679 
1 1 1    5   25    8 o   35.531   7.6475   10.196   3.9314   8.6177   6.0180   11.372   5.1925   32.708   10.706   37.063   9.3865 -4.354717 14.23848 
1 1 1    5   25    9 o   15.469   6.9869  -1.5199   3.4311   1.2762   4.8960  -4.2185   4.8099   21.587   9.0450   16.550   7.7549 5.036976 11.91432 
1 1 1    5   25   10 o   80.014   3.4257   48.445   4.0869   48.825   5.9334   48.102   5.6373   79.506   5.0313   79.033   4.8069 0.4735870 6.958437 
1 1 1    5   25   11 o   17.336   7.2959   0.7774   3.2084   1.6448   4.8205   0.0876   4.2989   21.300   8.9525   18.726   8.1695 2.574463 12.11978 
1 1 1    5   25   12 o   18.041   7.6405   0.9517   3.5543   0.7730   5.6867   1.0662   4.5532   21.317   9.3454   19.905   8.5450 1.411793 12.66307 
1 1 1    5   25   13 o   31.370   7.7712   8.7658   3.6160   7.9725   4.8703   9.7404   5.3978   28.988   9.6385   31.533   10.126 -2.544376 13.97966 
1 1 1    5   25   14 o   30.442   7.9269   8.6176   3.6333   9.8246   5.1115   7.3849   5.1655   30.889   9.8466   27.135   9.8668 3.754004 13.93952 
1 1 1    5   26    0 o  121.717   3.9812  111.165   7.2074  111.165   7.2074  111.165   7.2074  121.717   3.9812  121.717   3.9812 0.000000 0.000000 
1 1 1    5   26    1 o   24.393   7.7173   4.5431   3.1444   7.1717   4.6482   2.3252   4.2696   30.211   9.3567   22.169   8.7510 8.041893 12.81127 
1 1 1    5   26    2 o   49.273   5.0508   18.549   3.6582   22.751   5.5002   15.216   4.8987   54.077   6.9850   43.828   7.7816 10.24937 10.45677 
1 1 1    5   26    3 f   16.624   7.2194  -0.3706   3.3253  -6.3645   4.1108   10.975   5.6557   13.698   6.6213   36.653   10.049 -22.95467 12.03438 
1 1 1    5   26    4 o   48.013   4.9327   17.629   3.4809   14.187   4.5649   22.412   5.3806   42.293   7.5146   53.617   6.8900 -11.32440 10.19517 
1 1 1    5   26    5 o   19.438   7.9151   1.3327   3.6076  -4.5777   4.8383   8.7327   5.4138   16.523   7.7534   32.858   10.085 -16.33565 12.72093 
1 1 1    5   26    6 o   87.289   3.3795   57.320   4.3983   59.183   5.6024   54.325   7.1008   88.465   4.2475   84.103   5.6963 4.361366 7.105550 
1 1 1    5   26    7 o  120.970   3.2034  110.135   5.7778  112.566   6.7898  103.755   11.000  122.093   3.7299  115.630   6.4054 6.463188 7.412234 
1 1 1    5   26    8 o   26.004   8.2511   5.4274   3.5924   7.9234   5.2144   3.1723   4.9563   30.894   9.9555   23.819   9.4201 7.075037 13.70590 
1 1 1    5   26    9 o   58.296   4.0251   26.026   3.4772   31.191   5.1303   21.637   4.7290   63.144   5.5043   52.178   6.2001 10.96634 8.290899 
1 1 1    5   26   10 o   39.956   5.7651   12.806   3.3351   15.189   5.2907   11.234   4.2963   41.827   8.7643   36.170   8.1607 5.656948 11.97540 
1 1 1    5   26   11 o   20.129   7.6682   2.8101   3.1908  -0.8408   4.5529   6.3341   4.4731   17.979   8.0912   26.864   9.2359 -8.885004 12.27888 
1 1 1    5   26   12 o   30.251   7.5297   8.1170   3.3828   3.5103   4.9737   12.082   4.6144   22.688   9.2723   36.220   8.6616 -13.53229 12.68855 
1 1 1    5   26   13 o   15.861   7.1016  -0.2736   3.4588   3.0134   4.9085  -3.5151   4.8745   21.457   9.0268   15.945   7.5721 5.511990 11.78221 
1 1 1    5   27    0 o   76.556   4.4138   44.352   4.9997   44.352   4.9997   44.352   4.9997   76.556   4.4138   76.556   4.4138 0.000000 0.000000 
1 1 1    5   27    1 o  102.803   2.7107   79.215   4.1549   72.438   5.7733   86.497   5.9842   98.010   3.9508  107.161   3.7454 -9.151543 5.443951 
1 1 1    5   27    2 o   94.252   3.0106   66.683   4.2307   68.279   5.6500   64.646   6.3833   95.128   3.9835   92.249   4.6560 2.878853 6.127572 
1 1 1    5   27    3 o   99.431   2.9898   74.234   4.4324   73.624   5.9607   74.990   6.6290   98.727   4.0494   99.497   4.4686 -0.7702560 6.030409 
1 1 1    5   27    4 o   23.063   8.9268   3.0415   4.3713   16.329   14.332   1.6785   4.5901   43.507   16.324   21.634   8.8821 21.87377 18.58409 
1 1 1    5   27    5 o   55.700   4.4019   23.701   3.6258   23.396   4.8894   24.075   5.4046   54.742   6.0940   55.290   6.6924 -0.5480156 9.051251 
1 1 1    5   27    6 o   18.500   7.7291   0.8856   3.5602   4.1437   4.5071  -4.5202   5.8055   24.606   9.1697   18.341   8.5700 6.265736 12.55107 
1 1 1    5   27    7 o   26.871   8.3268   5.9465   3.6806   10.928   5.1477   0.7364   5.2646   35.572   9.5188   21.357   9.1788 14.21457 13.22334 
1 1 1    5   27    8 o   18.885   7.7724   1.4292   3.5253  -4.9503   4.4806   11.795   5.7114   15.057   7.1811   36.225   10.162 -21.16790 12.44328 
1 1 1    5   27    9 o   53.028   4.4270   21.893   3.4681   21.483   5.1668   22.230   4.6788   50.986   6.9801   52.472   6.0940 -1.485939 9.265984 
1 1 1    5   27   10 o   28.961   7.5634   7.3398   3.3014   6.3759   4.7289   8.2563   4.6112   26.790   9.4769   29.878   9.3303 -3.087566 13.29910 
1 1 1    5   27   11 o   30.872   7.9472   8.6555   3.6798   9.5237   4.9710   7.6030   5.4732   31.166   9.6800   28.009   10.161 3.157192 14.03369 
1 1 1    5   27   12 f   14.134   6.5009  -1.2912   3.1472  -2.4909   4.8569  -0.4228   4.1321   16.511   7.7543   16.891   7.6449 -0.3803577 10.88911 
1 1 1    5   28    0 o   20.732   10.932   4.8700   4.5011   4.8700   4.5011   4.8700   4.5011   20.732   10.932   20.732   10.932 0.000000 0.000000 
1 1 1    5   28    1 o   24.350   7.8656   4.6405   3.2534   8.1062   4.8907   1.8893   4.3575   31.274   9.5832   21.365   8.6993 9.908581 12.94275 
1 1 1    5   28    2 o   43.949   5.5211   15.071   3.5379   18.963   5.3608   12.068   4.7091   48.465   7.6743   38.150   8.4969 10.31516 11.44954 
1 1 1    5   28    3 o   56.318   4.7010   24.388   3.9113   25.422   5.7115   23.474   5.3673   56.542   6.9194   54.379   6.7663 2.163334 9.677854 
1 1 1    5   28    4 o   36.992   8.5626   11.497   4.6293   18.005   8.4359   8.6927   5.5376   44.327   12.320   31.996   10.254 12.33029 16.02919 
1 1 1    5   28    5 o   38.749   6.2680   12.048   3.4976   10.792   4.9529   13.297   4.9399   35.349   9.2797   39.630   8.6067 -4.281498 12.65655 
1 1 1    5   28    6 o   29.864   7.7667   7.5500   3.4908   10.603   4.8067   4.1424   5.0779   34.812   9.1430   24.693   9.6034 10.11959 13.25970 
1 1 1    5   28    7 o   24.642   8.0050   5.0735   3.3666   1.5462   4.6005   9.1403   4.9397   20.668   8.7193   31.848   9.6042 -11.18044 12.97173 
1 1 1    5   28    8 o   48.806   5.3472   19.055   3.8274   18.839   4.7624   19.449   6.4317   47.478   6.9318   46.019   9.6805 1.459122 11.90644 
1 1 1    5   28    9 o   71.060   4.1510   39.437   4.3788   28.453   7.4734   45.178   5.4034   55.510   9.3629   75.479   4.8267 -19.96873 10.53383 
1 1 1    5   28   10 o   35.475   6.3359   10.736   3.2282   13.493   4.8356   8.5190   4.3359   37.820   8.7494   29.681   9.0087 8.138721 12.55820 
1 1 1    5   28   11 o   16.395   7.3876  -0.2364   3.8094  -3.5741   5.7792   2.3280   5.0658   17.145   8.1713   20.589   8.9260 -3.443504 12.10142 
1 1 1    5   29    0 o   33.529   10.086   10.699   4.3949   10.699   4.3949   10.699   4.3949   33.529   10.086   33.529   10.086 0.000000 0.000000 
1 1 1    5   29    1 o   19.138   7.4549   2.1030   3.0637   0.0091   4.5002   3.9117   4.1826   19.147   8.3558   23.554   8.8224 -4.407492 12.15131 
1 1 1    5   29    2 o   95.203   2.9966   68.499   4.2535   67.538   5.9149   69.528   6.1212   93.906   4.2246   95.226   4.3113 -1.320435 6.036100 
1 1 1    5   29    3 o   44.847   5.2526   15.852   3.4456   19.373   4.9049   12.421   4.8414   48.715   6.9500   37.887   8.7476 10.82832 11.17242 
1 1 1    5   29    4 o   80.120   3.3613   48.824   4.0153   60.918   5.6839   36.777   5.6731   88.944   4.2861   68.131   5.6353 20.81229 7.080088 
1 1 1    5   29    5 o   28.461   7.2197   6.9032   3.0684   10.815   4.6054   3.7808   4.1147   34.832   8.8500   22.833   8.7056 11.99901 12.41408 
1 1 1    5   29    6 o   35.015   7.3875   10.544   3.7355   13.563   4.6074   4.7528   6.3814   39.323   8.1271   25.707   10.504 13.61554 13.28113 
1 1 1    5   29    7 o   16.409   7.2281  -0.0265   3.4381   2.3508   4.3168  -4.1502   5.6856   20.667   8.5622   17.367   8.2271 3.300598 11.87418 
1 1 1    5   29    8 o   29.150   7.6355   7.6758   3.3581   9.4719   4.5735   5.5748   4.9465   31.295   9.1946   25.013   9.5431 6.281118 13.25183 
1 1 1    5   29    9 o   21.668   8.0505   4.0309   3.4689  -0.9723   6.1055   6.4158   4.2153   19.348   8.9542   25.737   8.9591 -6.388990 12.66661 
1 1 1    5   29   10 o   17.565   7.2862   1.8372   3.1316   6.5995   4.8031  -1.6844   4.1302   25.229   9.4533   15.565   7.2581 9.663682 11.91824 
1 1 1    5   30    0 o   10.417   7.2346  -3.1359   3.9464  -3.1359   3.9464  -3.1359   3.9464   10.417   7.2346   10.417   7.2346 0.000000 0.000000 
1 1 1    5   30    1 o   29.248   7.0225   7.2952   3.0238   8.5391   4.4221   6.2029   4.1439   30.698   9.0473   26.628   8.8922 4.070589 12.68562 
1 1 1    5   30    2 o   26.250   7.2918   5.9378   2.9559   3.5616   4.2830   8.0990   4.0846   22.489   8.7993   30.010   8.6529 -7.521559 12.34097 
1 1 1    5   30    3 o   15.243   6.9761  -1.5292   3.5627  -9.8246   6.7744   1.6423   4.1887   16.577   8.1202   19.792   8.3332 -3.215132 11.63533 
1 1 1    5   30    4 o   46.352   4.9690   17.171   3.3805   16.268   4.7246   18.118   4.8388   43.273   7.6001   45.947   7.3080 -2.673950 10.54363 
1 1 1    5   30    5 o   28.466   7.9458   7.3453   3.5010   12.368   4.4612  -0.7075   5.6487   36.845   8.3180   19.456   8.8576 17.38903 12.15097 
1 1 1    5   30    6 o   23.021   8.3941   4.6078   3.7423   8.2556   4.3590  -5.6178   7.2981   29.208   9.0634   18.628   8.9586 10.58054 12.74372 
1 1 1    5   30    7 o   23.264   8.2655   4.9367   3.6010   8.2541   4.4604  -1.2726   6.1022   28.702   9.2033   19.140   8.8905 9.562901 12.79617 
1 1 1    5   30    8 o   15.877   7.0616   0.1445   3.3596  -1.5028   4.4348   2.3631   5.1466   16.282   7.5684   20.512   8.9440 -4.230232 11.71651 
1 1 1    5   30    9 f   16.291   7.0137   1.1108   3.0841   2.3525   4.4949   0.0061   4.2395   19.431   8.4161   16.885   7.6820 2.545572 11.39491 
1 1 1    5   31    0 o   55.364   5.7881   24.322   4.6584   24.322   4.6584   24.322   4.6584   55.364   5.7881   55.364   5.7881 0.000000 0.000000 
1 1 1    5   31    1 f   28.509   6.9571   7.1659   2.9311   7.9585   4.2559   6.4506   4.0428   28.812   8.9581   26.241   8.7829 2.570120 12.54542 
1 1 1    5   31    2 o   51.234   4.3285   20.816   3.2755   23.239   4.7336   18.590   4.5371   52.622   6.1493   46.511   6.7389 6.110611 9.122828 
1 1 1    5   31    3 o   14.106   6.5980  -2.2027   3.4560  -2.6062   6.1618  -2.0175   4.1744   18.546   8.7179   15.746   7.3271 2.800226 11.38804 
1 1 1    5   31    4 o   15.708   6.8290   0.4622   2.9815   5.1640   4.1387  -4.6101   4.2987   23.712   8.7967   14.169   6.8296 9.542882 11.13672 
1 1 1    5   31    5 o   15.739   7.1223  -0.4763   3.5848  -2.3662   4.1191   5.4242   7.2783   15.169   7.1296   24.711   10.706 -9.542573 12.86292 
1 1 1    5   31    6 o   11.967   5.7559  -3.3316   3.0145  -5.1395   4.1330  -1.2764   4.4065   13.325   6.4872   16.315   7.5703 -2.989399 9.969612 
1 1 1    5   31    7 o   12.596   6.0276  -2.9506   3.2129  -1.0337   4.4964  -4.9504   4.5926   16.393   7.6203   14.112   6.8630 2.280552 10.25519 
1 1 1    5   32    0 o   62.829   5.3109   31.121   4.8933   31.121   4.8933   31.121   4.8933   62.829   5.3109   62.829   5.3109 0.000000 0.000000 
1 1 1    5   32    1 o   17.165   7.0635   1.7850   2.9112   5.7096   4.3300  -1.4523   3.9326   23.974   8.9772   15.375   7.1404 8.598765 11.47062 
1 1 1    5   32    2 o   9.2058   4.6353  -8.0029   2.9079  -8.7336   4.2420  -7.3552   3.9939   11.881   5.9260   11.947   5.9239 -0.6589508E-01 8.379183 
1 1 1    5   32    3 o   15.173   6.6915   0.3426   2.9552   3.8632   4.3292  -2.7293   4.0439   21.170   8.6512   14.521   6.8962 6.649213 11.06348 
1 1 1    5   32    4 o   39.346   5.6578   13.389   3.2236   13.503   4.5095   13.270   4.6100   36.533   8.4475   35.866   8.7080 0.6664658 12.13214 
1 1 1    5   32    5 o   29.015   8.5592   8.9880   3.9562   8.3842   4.6650   10.534   7.4657   26.891   9.4213   27.089   11.244 -0.1978188 14.66959 
1 1 1    5   33    0 o   20.577   10.693   5.6634   4.2592   5.6634   4.2592   5.6634   4.2592   20.577   10.693   20.577   10.693 0.000000 0.000000 
1 1 1    5   33    1 o   23.223   7.4753   5.4999   2.9405   2.5966   4.2420   8.1852   4.0797   18.805   8.1603   26.811   8.8171 -8.006041 12.01384 
1 1 1    6    1    0 o  1428.93   8.7013 15236.56  185.365 15236.56  185.365 15236.56  185.365  1428.93   8.7013  1428.93   8.7013 0.000000 0.000000 
1 1 1    6    1    1 o  478.422   2.3016  1706.55   16.418  1728.32   23.493  1685.77   22.953  481.431   3.2729  475.470   3.2378 5.961823 4.603831 
1 1 1    6    1    2 o  604.610   3.0584  2725.94   27.570  2704.28   43.226  2740.79   35.797  602.076   4.8153  606.196   3.9606 -4.119934 6.234869 
1 1 1    6    1    3 o  323.050   1.8150  778.106   8.7422  771.638   12.294  784.721   12.434  321.682   2.5633  324.398   2.5707 -2.715332 3.630309 
1 1 1    6    1    4 o  473.852   2.5750  1674.49   18.192  1641.85   23.094  1727.85   29.533  469.158   3.3015  481.209   4.1162 -12.05170 5.276666 
1 1 1    6    1    5 o  213.048   2.0622  338.440   6.5507  352.857   9.5005  325.374   9.0445  217.515   2.9295  208.874   2.9042 8.641769 4.125064 
1 1 1    6    1    6 f  438.466   2.1406  1433.43   13.994  1447.42   21.591  1423.29   18.376  440.558   3.2870  436.890   2.8211 3.667786 4.331612 
1 1 1    6    1    7 o  361.366   1.9676  973.597   10.601  987.593   16.503  963.764   13.833  363.929   3.0415  359.524   2.5805 4.405243 3.988720 
1 1 1    6    1    8 o  344.708   2.1428  885.917   11.013  888.523   19.309  884.660   13.408  345.175   3.7519  344.454   2.6107 0.7204285 4.570768 
1 1 1    6    1    9 o   61.699   3.3781   28.474   3.0957   28.823   4.8335   28.231   4.0309   61.928   5.2855   61.359   4.4360 0.5684471 6.900333 
1 1 1    6    1   10 o  113.829   2.5255   96.613   4.2862  107.530   6.6250   88.754   5.6212  120.073   3.7006  109.091   3.4560 10.98216 5.063377 
1 1 1    6    1   11 o  379.020   2.0714  1071.16   11.705  1048.90   18.873  1085.07   14.922  374.998   3.3755  381.450   2.6238 -6.452454 4.275323 
1 1 1    6    1   12 o  359.109   2.0553  961.663   11.005  1013.05   22.914  946.257   12.546  368.408   4.1715  356.204   2.3624 12.20358 4.793997 
1 1 1    6    1   13 o  203.309   1.8713  308.251   5.6723  306.772   9.9488  308.963   6.9045  202.747   3.2911  203.527   2.2753 -0.7801056 4.001072 
1 1 1    6    1   14 o   97.231   2.7922   70.549   4.0479   71.269   6.2348   70.024   5.3220   97.660   4.2819   96.833   3.6862 0.8269196 5.650056 
1 1 1    6    1   15 o  289.163   1.9534  623.724   8.4218  625.107   14.785  623.060   10.247  289.299   3.4277  288.966   2.3783 0.3324890 4.171937 
1 1 1    6    1   16 o  190.727   2.1583  271.431   6.1377  269.123   12.288  272.199   7.0847  189.652   4.3456  190.968   2.4882 -1.316559 5.007585 
1 1 1    6    1   17 o   15.953   7.1450  -1.5436   3.5036  -4.4732   7.7326  -0.7868   3.9301   22.822   10.380   17.854   7.7996 4.967558 12.98355 
1 1 1    6    1   18 o   81.280   3.3921   49.418   4.1108   50.547   8.4715   49.070   4.7015   81.457   7.0447   80.950   3.8953 0.5066071 8.049902 
1 1 1    6    1   19 o   77.151   3.3750   44.602   3.8823   51.114   7.3748   42.105   4.5663   81.909   6.0821   74.758   4.1125 7.151840 7.342018 
1 1 1    6    1   20 o  103.020   3.1479   79.701   4.8351   85.205   9.1456   77.565   5.6963  105.435   5.8406  101.471   3.7651 3.963387 6.949008 
1 1 1    6    1   21 o   72.115   3.8122   39.498   4.0844   35.259   7.1167   41.580   4.9876   66.514   7.2959   73.708   4.5609 -7.193298 8.604209 
1 1 1    6    2    0 o  627.915   4.0713  2940.36   38.113  2940.36   38.113  2940.36   38.113  627.915   4.0713  627.915   4.0713 0.000000 0.000000 
1 1 1    6    2    1 o  259.007   1.7361  500.157   6.7044  495.047   10.453  503.728   8.7387  257.662   2.7209  259.921   2.2549 -2.259277 3.533818 
1 1 1    6    2    2 o  255.007   1.5971  484.827   6.0722  476.888   8.4985  493.107   8.6791  252.898   2.2538  257.162   2.2636 -4.264282 3.194324 
1 1 1    6    2    3 o  183.895   1.4981  252.133   4.1076  243.823   5.7022  261.096   5.9220  180.829   2.1150  187.125   2.1226 -6.295364 2.996408 
1 1 1    6    2    4 o  232.669   1.6394  403.630   5.6870  408.566   8.1263  398.893   7.9614  234.070   2.3285  231.283   2.3087 2.787094 3.279069 
1 1 1    6    2    5 o  323.889   1.7776  782.150   8.5844  771.864   12.997  790.109   11.433  321.723   2.7096  325.516   2.3556 -3.792664 3.590402 
1 1 1    6    2    6 o  469.007   2.2383  1640.07   15.652  1635.14   23.872  1643.80   20.729  468.253   3.4193  469.513   2.9611 -1.259369 4.523291 
1 1 1    6    2    7 o  545.013   2.7153  2214.80   22.065  2231.71   38.583  2206.59   26.897  546.985   4.7310  543.976   3.3162 3.008667 5.777543 
1 1 1    6    2    8 o  214.050   1.9392  341.597   6.1889  327.396   10.582  348.978   7.6297  209.534   3.3873  216.346   2.3653 -6.812088 4.131384 
1 1 1    6    2    9 o  532.199   2.7566  2111.94   21.874  2126.31   31.160  2097.98   30.713  533.949   3.9141  530.382   3.8838 3.567627 5.514015 
1 1 1    6    2   10 o   99.734   2.6860   74.172   3.9941   72.278   6.1679   75.539   5.2416   98.435   4.2026  100.641   3.4932 -2.206024 5.464819 
1 1 1    6    2   11 f   48.474   4.3566   17.675   3.1150   20.421   5.9766   16.651   3.6500   51.650   8.0212   46.928   5.3100 4.721470 9.619526 
1 1 1    6    2   12 o  159.413   2.1757  189.515   5.1713  196.939   10.054  186.844   6.0301  162.430   4.1515  158.275   2.5553 4.154633 4.874857 
1 1 1    6    2   13 o  130.108   2.0781  126.254   4.0313  122.487   6.9824  128.137   4.9374  128.092   3.6561  131.061   2.5267 -2.968979 4.444216 
1 1 1    6    2   14 o  211.575   1.9946  333.886   6.2919  336.868   10.256  332.087   7.9671  212.425   3.2383  210.969   2.5329 1.455383 4.111233 
1 1 1    6    2   15 o  195.215   2.1138  284.308   6.1524  290.441   10.090  280.678   7.7625  197.189   3.4319  193.920   2.6848 3.268692 4.357287 
1 1 1    6    2   16 o   56.498   4.3349   24.025   3.6237   26.867   7.8134   23.246   4.0902   58.868   9.2035   55.481   4.9983 3.387188 10.47318 
1 1 1    6    2   17 o  115.026   2.6860   98.800   4.6065  104.473   7.7829   95.741   5.7150  118.115   4.4194  113.176   3.3868 4.938591 5.567938 
1 1 1    6    2   18 o   34.649   6.6367   9.3655   3.3037   9.8970   6.0279   9.1373   3.9498   35.543   10.585   34.017   7.9335 1.525688 13.22804 
1 1 1    6    2   19 o   50.409   5.2392   19.388   3.8802   13.662   11.921   20.067   4.1036   42.300   15.038   51.244   5.4548 -8.943966 15.99678 
1 1 1    6    2   20 o   81.698   3.3626   50.196   4.0960   54.410   8.4388   48.897   4.6849   83.683   6.8229   80.513   3.9027 3.170128 7.860217 
1 1 1    6    2   21 o   92.909   3.5186   65.269   4.8742   85.941   8.7527   55.976   5.8683  105.356   5.5920   85.491   4.6210 19.86465 7.254266 
1 1 1    6    3    0 o  625.569   5.0417  2919.40   47.018  2919.40   47.018  2919.40   47.018  625.569   5.0417  625.569   5.0417 0.000000 0.000000 
1 1 1    6    3    1 o  281.257   1.8571  589.805   7.7878  584.347   9.7789  599.269   12.877  279.941   2.3429  283.470   3.0468 -3.529297 3.843437 
1 1 1    6    3    2 o  276.120   1.6694  568.454   6.8728  566.240   9.6656  570.718   9.7744  275.563   2.3526  276.650   2.3697 -1.086914 3.339151 
1 1 1    6    3    3 o   81.890   1.8457   50.002   2.2535   46.113   3.7874   52.134   2.8039   78.626   3.2308   83.614   2.2491 -4.987656 3.936567 
1 1 1    6    3    4 o  128.142   1.7687  122.432   3.3792  124.197   5.5085  121.367   4.2789  129.046   2.8630  127.577   2.2495 1.468620 3.641010 
1 1 1    6    3    5 o  330.209   1.9523  812.979   9.6119  804.432   16.693  817.218   11.756  328.421   3.4091  331.057   2.3818 -2.636108 4.158696 
1 1 1    6    3    6 o  341.187   1.8733  867.896   9.5297  858.677   14.530  874.856   12.624  339.347   2.8718  342.540   2.4718 -3.192322 3.789078 
1 1 1    6    3    7 o  402.242   2.0900  1206.32   12.534  1209.65   19.256  1203.88   16.512  402.766   3.2066  401.818   2.7561 0.9472656 4.228242 
1 1 1    6    3    8 o  432.281   2.6338  1393.32   16.976  1356.82   26.399  1419.05   22.166  426.526   4.1511  436.228   3.4081 -9.701996 5.370959 
1 1 1    6    3    9 o  399.279   3.3452  1188.87   19.914  1198.57   24.535  1170.15   34.094  400.871   4.1050  395.992   5.7745 4.878510 7.084937 
1 1 1    6    3   10 f  276.182   2.1701  568.735   8.9360  590.103   12.897  549.003   12.393  281.297   3.0749  271.324   3.0636 9.972382 4.340594 
1 1 1    6    3   11 o  339.125   1.9958  857.544   10.091  874.453   16.694  847.808   12.668  342.388   3.2702  337.172   2.5198 5.215881 4.128436 
1 1 1    6    3   12 o  172.521   2.0143  221.957   5.1813  214.017   8.3611  226.907   6.6016  169.361   3.3112  174.418   2.5386 -5.057220 4.172301 
1 1 1    6    3   13 o  365.784   2.0943  997.929   11.422  993.791   18.584  1000.44   14.479  364.877   3.4160  366.190   2.6520 -1.312683 4.324554 
1 1 1    6    3   14 o  156.651   2.1328  183.057   4.9815  183.929   8.0770  182.521   6.3286  156.943   3.4517  156.391   2.7141 0.5521240 4.390975 
1 1 1    6    3   15 o   92.252   2.5819   63.518   3.5512   57.957   5.9420   66.608   4.4293   87.898   4.5496   94.443   3.1456 -6.545303 5.531111 
1 1 1    6    3   16 o  114.631   2.6162   98.097   4.4714   96.696   9.3637   98.511   5.0891  113.532   5.5318  114.849   2.9719 -1.317436 6.279544 
1 1 1    6    3   17 o  118.156   3.4028  104.365   5.9947  101.708   9.6839  106.016   7.6330  116.370   5.5813  118.988   4.3025 -2.617973 7.047178 
1 1 1    6    3   18 f  108.477   3.1197   88.003   5.0457   96.235   10.175   85.318   5.8105  112.781   6.0733  106.747   3.6508 6.033928 7.086133 
1 1 1    6    3   19 o   68.177   4.5099   35.157   4.5584   0.0000   0.0000   35.157   4.5584  ?   ?    68.177   4.5099 0.000000 4.509905 
1 1 1    6    3   20 o   21.105   7.8485   2.8123   3.2985   3.1497   6.9235   2.7132   3.7517   26.788   10.943   21.661   8.2999 5.126890 13.73460 
1 1 1    6    3   21 o   12.495   6.0067  -4.4927   3.2726  -6.8296   5.7828  -3.3917   3.9693   16.883   8.0812   15.102   7.0663 1.781036 10.73485 
1 1 1    6    4    0 o  195.752   2.8632  285.905   8.3525  285.905   8.3525  285.905   8.3525  195.752   2.8632  195.752   2.8632 0.000000 0.000000 
1 1 1    6    4    1 o  383.038   2.4709  1094.12   14.111  1097.89   20.460  1090.71   19.488  383.627   3.5770  382.383   3.4182 1.244720 4.947683 
1 1 1    6    4    2 o  419.068   2.1383  1309.55   13.361  1301.99   18.702  1317.43   19.093  417.804   3.0023  420.271   3.0470 -2.466797 4.277638 
1 1 1    6    4    3 o   76.377   1.6998   43.494   1.9356   43.879   2.7507   43.117   2.7242   76.707   2.4051   76.038   2.4029 0.6689301 3.399822 
1 1 1    6    4    4 o  331.979   1.7667  821.712   8.7447  823.928   13.415  820.076   11.531  332.396   2.7069  331.631   2.3321 0.7642822 3.572954 
1 1 1    6    4    5 o  136.522   1.5799  138.957   3.2158  131.331   4.8669  144.866   4.2844  132.716   2.4596  139.391   2.0615 -6.674896 3.209245 
1 1 1    6    4    6 f  559.186   2.7366  2331.53   22.816  2294.04   38.882  2351.21   28.177  554.563   4.7025  561.513   3.3656 -6.950073 5.782775 
1 1 1    6    4    7 o  352.092   2.1249  924.280   11.155  916.375   15.673  932.394   15.879  350.564   2.9987  353.614   3.0117 -3.050476 4.250010 
1 1 1    6    4    8 o  326.206   2.3255  793.404   11.310  795.078   18.105  792.332   14.485  326.510   3.7190  325.970   2.9803 0.5406189 4.765823 
1 1 1    6    4    9 o   92.413   2.9217   63.683   4.0257   69.961   5.6276   57.103   5.7612   96.851   3.8971   87.381   4.4367 9.469948 5.905239 
1 1 1    6    4   10 o  251.377   2.3372  471.187   8.7599  463.861   11.177  482.854   14.104  249.396   3.0058  254.425   3.7181 -5.028931 4.781137 
1 1 1    6    4   11 f  224.297   2.6103  375.206   8.7294  374.236   17.362  375.534   10.099  223.868   5.2016  224.379   3.0187 -0.5113373 6.014083 
1 1 1    6    4   12 o  415.302   2.3214  1286.40   14.374  1272.98   21.858  1296.61   19.080  413.001   3.5498  416.875   3.0697 -3.873779 4.692942 
1 1 1    6    4   13 o  182.765   2.5456  249.206   6.9368  250.975   8.8975  246.465   11.077  183.368   3.2544  181.647   4.0900 1.720581 5.226804 
1 1 1    6    4   14 o  238.164   2.1580  423.147   7.6628  406.833   11.542  436.004   10.247  233.419   3.3166  241.694   2.8435 -8.275314 4.368637 
1 1 1    6    4   15 f  196.823   2.2446  289.063   6.5871  271.652   12.719  295.444   7.7001  190.544   4.4771  198.953   2.5958 -8.409149 5.175242 
1 1 1    6    4   16 o  113.654   2.8998   96.469   4.9138   96.263   9.7494   96.539   5.6892  113.083   5.8020  113.660   3.3572 -0.5775070 6.703235 
1 1 1    6    4   17 o  168.113   3.4172  211.309   8.5654  213.106   12.032  209.463   12.196  168.589   4.7867  167.120   4.8948 1.468979 6.846249 
1 1 1    6    4   18 f  141.509   2.9422  149.735   6.2075  157.715   11.548  146.493   7.3615  144.725   5.3517  139.875   3.5299 4.850067 6.410980 
1 1 1    6    4   19 o  117.683   3.3505  103.881   5.8788   0.0000   0.0000  103.881   5.8788  ?   ?   117.683   3.3505 0.000000 3.350459 
1 1 1    6    4   20 o   12.756   6.1893  -5.9408   3.6794  -1.6808   6.7377  -7.7511   4.3921   22.216   9.9319   13.544   6.6140 8.671839 11.93264 
1 1 1    6    4   21 o   75.699   3.4290   43.362   3.8702   49.964   7.8909   41.271   4.4410   79.360   6.7324   73.525   4.0669 5.835579 7.865453 
1 1 1    6    5    0 o  380.977   3.6087  1082.71   20.494  1082.71   20.494  1082.71   20.494  380.977   3.6087  380.977   3.6087 0.000000 0.000000 
1 1 1    6    5    1 o  229.113   1.7746  391.398   6.0622  380.707   9.9061  397.800   7.6651  225.926   2.9408  230.967   2.2259 -5.040878 3.688201 
1 1 1    6    5    2 f  144.565   1.5024  155.819   3.2383  155.230   4.4427  156.487   4.7301  144.283   2.0652  144.864   2.1900 -0.5809937 3.010143 
1 1 1    6    5    3 o  228.074   1.4884  387.826   5.0615  388.229   7.7413  387.525   6.6893  228.177   2.2755  227.977   1.9680 0.2000580 3.008448 
1 1 1    6    5    4 f  437.141   2.0844  1424.79   13.586  1427.42   20.816  1422.84   17.931  437.499   3.1912  436.816   2.7532 0.6826172 4.214717 
1 1 1    6    5    5 o  386.473   1.9655  1113.59   11.325  1105.78   17.246  1119.52   15.018  385.085   3.0037  387.484   2.5994 -2.398834 3.972313 
1 1 1    6    5    6 o  324.123   2.4316  783.299   11.751  739.405   21.943  800.947   13.914  314.845   4.6745  327.745   2.8474 -12.89978 5.473400 
1 1 1    6    5    7 o  493.337   2.3631  1814.64   17.382  1818.69   26.668  1811.65   22.920  493.839   3.6219  492.904   3.1187 0.9350281 4.779584 
1 1 1    6    5    8 o  153.053   2.1239  174.656   4.8468  184.620   8.9626  170.538   5.7620  157.333   3.8207  151.233   2.5554 6.100037 4.596514 
1 1 1    6    5    9 o  140.833   2.1278  147.883   4.4680  150.355   6.9379  146.131   5.8403  141.990   3.2772  139.988   2.7982 2.001709 4.309247 
1 1 1    6    5   10 o  379.567   2.3507  1074.32   13.303  1060.49   18.609  1088.76   19.026  377.068   3.3100  382.059   3.3399 -4.990784 4.702273 
1 1 1    6    5   11 o  291.156   2.3898  632.211   10.374  619.439   22.743  635.567   11.658  287.979   5.2968  291.913   2.6786 -3.933685 5.935534 
1 1 1    6    5   12 o  184.941   2.0633  255.086   5.6895  263.382   8.9031  249.360   7.3970  187.872   3.1784  182.826   2.7136 5.045303 4.179214 
1 1 1    6    5   13 o  111.775   3.3584   93.271   5.5968   83.831   7.7918  103.335   8.0445  105.880   4.9357  117.578   4.5888 -11.69802 6.739348 
1 1 1    6    5   14 o  223.402   2.0480  372.306   6.8216  360.868   13.539  376.198   7.8973  219.722   4.1329  224.543   2.3589 -4.820694 4.758699 
1 1 1    6    5   15 o   46.009   5.3163   16.074   3.5797   9.9557   9.2591   17.149   3.8816   37.886   13.273   47.499   5.5877 -9.612949 14.40117 
1 1 1    6    5   16 f   44.710   5.4805   15.222   3.5769   10.589   7.5531   16.561   4.0612   37.412   11.974   46.575   5.9870 -9.162365 13.38746 
1 1 1    6    5   17 o  104.993   3.5008   82.447   5.4802   78.339   9.4711   84.516   6.7193  101.790   6.2711  106.220   4.2428 -4.430283 7.571551 
1 1 1    6    5   18 o   83.857   3.5906   52.679   4.4892   51.469   8.6934   53.119   5.2422   81.996   7.1834   84.133   4.1791 -2.137405 8.310585 
1 1 1    6    5   19 o  136.912   2.7150  140.361   5.5421  150.116   16.088  139.048   5.9035  139.192   7.7831  136.226   2.9065 2.966446 8.308130 
1 1 1    6    5   20 o   58.450   4.1724   26.014   3.6122   33.224   7.2715   23.652   4.1621   64.588   7.7030   55.432   5.0929 9.155403 9.234348 
1 1 1    6    5   21 o   66.550   3.7184   33.739   3.6748   43.069   7.3719   30.655   4.2390   73.460   6.8081   63.094   4.5364 10.36635 8.181003 
1 1 1    6    6    0 o  482.628   4.2312  1737.63   30.442  1737.63   30.442  1737.63   30.442  482.628   4.2312  482.628   4.2312 0.000000 0.000000 
1 1 1    6    6    1 o   71.746   4.2009   38.540   4.4742   38.540   4.4742   0.0000   0.0000   71.746   4.2009  ?   ?  0.000000 4.200859 
1 1 1    6    6    2 o  268.368   1.7129  536.982   6.8539  524.329   12.240  542.763   8.2726  265.148   3.0961  269.801   2.0565 -4.652954 3.716849 
1 1 1    6    6    3 o  344.365   1.9503  884.177   10.013  864.951   17.451  893.614   12.227  340.550   3.4369  346.186   2.3688 -5.636261 4.174123 
1 1 1    6    6    4 o  213.516   1.5507  339.887   4.9366  337.933   7.6124  341.305   6.4851  212.891   2.3982  213.956   2.0329 -1.064911 3.143937 
1 1 1    6    6    5 o  175.811   1.5904  230.442   4.1688  227.984   6.4410  232.213   5.4688  174.862   2.4705  176.481   2.0784 -1.618484 3.228470 
1 1 1    6    6    6 o  831.598   3.5039  5157.12   43.444  5120.91   56.997  5207.33   67.114  828.575   4.6137  835.452   5.3879 -6.877197 7.093366 
1 1 1    6    6    7 o  138.684   1.7688  143.394   3.6575  142.835   5.2323  143.928   5.1146  138.408   2.5355  138.936   2.4690 -0.5289459 3.539028 
1 1 1    6    6    8 o  138.820   2.1811  143.684   4.5143  143.737   6.5253  143.635   6.2519  138.835   3.1523  138.787   3.0213 0.4745483E-01 4.366420 
1 1 1    6    6    9 o  304.632   2.0084  691.925   9.1223  702.381   14.169  684.523   11.922  306.891   3.0966  302.980   2.6391 3.910889 4.068660 
1 1 1    6    6   10 f  435.384   2.4951  1413.62   16.197  1419.02   23.065  1408.37   22.749  436.139   3.5470  434.502   3.5116 1.637848 4.991263 
1 1 1    6    6   11 o  260.792   2.3669  507.244   9.2032  508.433   20.929  506.959   10.247  260.862   5.3810  260.705   2.6362 0.1568604 5.992078 
1 1 1    6    6   12 o  107.340   2.6919   85.960   4.3082   92.090   8.2710   83.677   5.0469  110.996   4.9978  105.888   3.1967 5.108444 5.932710 
1 1 1    6    6   13 o  166.004   2.5649  205.620   6.3483  195.085   10.134  212.425   8.1445  161.574   4.2066  168.684   3.2383 -7.110214 5.308657 
1 1 1    6    6   14 o  138.232   2.3733  142.583   4.8913  142.319   9.2012  142.687   5.7749  137.938   4.4739  138.257   2.8015 -0.3187256 5.278669 
1 1 1    6    6   15 o   69.598   4.0348   36.350   4.1689   0.0000   0.0000   36.350   4.1689  ?   ?    69.598   4.0348 0.000000 4.034756 
1 1 1    6    6   16 o   18.739   7.5759   1.1543   3.2781  -0.1571   7.1321   1.5056   3.6911   24.953   10.703   20.159   8.0780 4.794073 13.40890 
1 1 1    6    6   17 o  140.674   2.8815  147.878   6.0437  147.682   10.599  147.972   7.3571  140.232   5.0691  140.638   3.5086 -0.4065704 6.164889 
1 1 1    6    6   18 o  109.143   3.0592   89.151   4.9782  108.437   10.680   83.797   5.6269  119.714   5.9833  105.740   3.5691 13.97348 6.966987 
1 1 1    6    6   19 o   69.770   3.9209   36.774   4.0622   29.317   8.5678   38.937   4.6138   60.132   9.9011   71.694   4.3366 -11.56283 10.80919 
1 1 1    6    6   20 o   73.977   3.5400   41.323   3.9046   40.145   7.9552   41.697   4.4815   70.950   7.6407   74.052   4.0747 -3.102196 8.659306 
1 1 1    6    6   21 o   22.897   8.3462   3.8229   3.6993   0.0000   0.0000   3.8229   3.6993  ?   ?    22.897   8.3462 0.000000 8.346233 
1 1 1    6    7    0 o  136.822   3.3856  139.844   6.8970  139.844   6.8970  139.844   6.8970  136.822   3.3856  136.822   3.3856 0.000000 0.000000 
1 1 1    6    7    1 o  194.889   2.2268  283.205   6.4704  282.698   8.9544  283.758   9.3602  194.698   3.0846  195.059   3.2185 -0.3613739 4.457976 
1 1 1    6    7    2 o   21.876   3.7544   3.6705   1.1805   5.3941   2.1287   2.9051   1.4186   26.387   5.5847   19.360   4.9077 7.026810 7.434723 
1 1 1    6    7    3 o   65.675   2.1532   32.159   2.1084   29.302   4.3138   33.056   2.4167   62.499   4.6629   66.583   2.4344 -4.083679 5.260094 
1 1 1    6    7    4 o  571.885   2.5450  2438.58   21.701  2434.46   33.229  2441.65   28.656  571.330   3.9008  572.205   3.3588 -0.8756104 5.147616 
1 1 1    6    7    5 o  732.938   3.1334  4005.80   34.242  4025.64   52.722  3991.33   45.033  734.618   4.8135  731.541   4.1288 3.076599 6.341640 
1 1 1    6    7    6 o  280.409   1.9515  586.233   8.1587  589.232   11.617  583.315   11.461  281.111   2.7716  279.696   2.7484 1.414459 3.903244 
1 1 1    6    7    7 o  757.634   3.2658  4280.57   36.891  4217.14   55.593  4330.48   49.313  751.838   4.9594  761.942   4.3408 -10.10358 6.590748 
1 1 1    6    7    8 o  602.780   2.9803  2709.51   26.784  2680.58   37.558  2739.45   38.208  599.463   4.2021  606.008   4.2287 -6.544861 5.961535 
1 1 1    6    7    9 o  307.173   2.0030  703.534   9.1734  696.181   14.053  708.995   12.109  305.525   3.0849  308.342   2.6340 -2.816956 4.056456 
1 1 1    6    7   10 o  177.798   2.1821  235.735   5.7847  251.295   10.221  228.402   7.0167  183.518   3.7353  174.997   2.6893 8.521652 4.602677 
1 1 1    6    7   11 o  178.012   2.0385  236.318   5.4105  233.458   8.3574  238.381   7.0989  176.885   3.1689  178.764   2.6634 -1.878418 4.139533 
1 1 1    6    7   12 o  156.801   2.1330  183.388   4.9866  180.559   7.8435  185.307   6.4603  155.524   3.3826  157.591   2.7495 -2.067688 4.359052 
1 1 1    6    7   13 o  213.113   2.2893  338.841   7.2742  334.470   12.886  340.885   8.8126  211.557   4.0852  213.717   2.7656 -2.160858 4.933336 
1 1 1    6    7   14 o   31.932   7.4514   7.9824   3.4829   6.2252   6.6062   8.6589   4.0988   31.030   11.177   33.231   8.2977 -2.200535 13.92041 
1 1 1    6    7   15 o  129.308   2.6154  124.832   5.0424  131.562   14.395  123.891   5.3835  131.885   7.3497  128.805   2.8032 3.079941 7.866189 
1 1 1    6    7   16 o  154.309   2.3996  177.758   5.5208  197.798   11.984  172.359   6.2201  162.405   4.9490  151.914   2.7462 10.49049 5.659880 
1 1 1    6    7   17 o   67.247   4.4355   34.066   4.4222   29.306   11.369   34.914   4.8003   60.061   13.067   68.030   4.7626 -7.969269 13.90808 
1 1 1    6    7   18 o   41.576   6.7979   13.482   4.0683   6.7796   7.8813   15.916   4.7501   32.410   12.116   45.116   7.3119 -12.70556 14.15158 
1 1 1    6    7   19 o   39.528   6.8966   12.374   3.9167   11.502   7.7787   12.670   4.5333   37.337   12.170   39.673   7.9409 -2.336224 14.53152 
1 1 1    6    7   20 o   17.817   7.9376  -1.0768   4.2635   6.0255   6.6768  -5.9666   5.5401   29.151   11.096   16.930   8.0495 12.22101 13.70786 
1 1 1    6    7   21 o   49.952   5.1577   19.571   3.7860   24.559   7.0019   17.510   4.5007   53.484   9.1069   46.456   6.6909 7.028309 11.30065 
1 1 1    6    8    0 o  303.383   3.4623  686.549   15.657  686.549   15.657  686.549   15.657  303.383   3.4623  303.383   3.4623 0.000000 0.000000 
1 1 1    6    8    1 f  185.158   1.4089  255.594   3.8894  254.675   6.2344  256.180   4.9767  184.815   2.2625  185.366   1.8007 -0.5509338 2.891593 
1 1 1    6    8    2 o  248.620   1.6704  460.840   6.1918  466.874   10.826  457.906   7.5483  250.221   2.9018  247.823   2.0428 2.398895 3.548751 
1 1 1    6    8    3 o  301.537   2.0266  677.913   9.1114  659.680   14.876  688.860   11.527  297.424   3.3545  303.952   2.5435 -6.527924 4.209734 
1 1 1    6    8    4 o  474.255   2.4074  1677.01   17.023  1691.06   29.810  1670.20   20.736  476.161   4.1989  473.274   2.9386 2.887329 5.125075 
1 1 1    6    8    5 o  291.345   3.4666  632.992   15.058   0.0000   0.0000  632.992   15.058  ?   ?   291.345   3.4666 0.000000 3.466594 
1 1 1    6    8    6 o  580.962   2.8610  2516.74   24.782  2521.07   35.160  2512.47   34.934  581.391   4.0561  580.400   4.0369 0.9909058 5.722644 
1 1 1    6    8    7 o  578.699   2.8701  2497.25   24.764  2476.01   34.974  2518.60   35.068  576.155   4.0713  581.092   4.0476 -4.936646 5.740967 
1 1 1    6    8    8 o  580.733   2.9118  2515.01   25.212  2488.76   35.439  2541.90   35.875  577.598   4.1151  583.731   4.1220 -6.132690 5.824534 
1 1 1    6    8    9 o  172.408   1.9778  221.640   5.0842  239.391   8.1799  210.466   6.4901  179.153   3.0623  167.993   2.5911 11.15973 4.011462 
1 1 1    6    8   10 o  296.663   2.3817  656.370   10.535  658.339   23.835  655.892   11.744  296.850   5.3853  296.539   2.6562 0.3110352 6.004717 
1 1 1    6    8   11 o  120.978   2.4920  109.176   4.4950  109.452   7.9310  109.045   5.4558  121.051   4.3943  120.887   3.0270 0.1634064 5.335958 
1 1 1    6    8   12 o  222.562   2.1982  369.500   7.2944  367.783   10.615  371.037   10.040  221.965   3.2076  222.962   3.0202 -0.9967804 4.405746 
1 1 1    6    8   13 o  171.832   2.1522  220.278   5.5139  218.358   8.6187  221.608   7.1743  170.989   3.3807  172.307   2.7926 -1.317795 4.384916 
1 1 1    6    8   14 o  123.432   3.0640  113.785   5.6388  118.216   9.5587  111.421   6.9833  125.608   5.1040  122.079   3.8366 3.529282 6.385180 
1 1 1    6    8   15 o   85.216   3.8574   54.319   4.9010   71.231   11.549   50.604   5.4125   96.712   8.0837   82.088   4.4388 14.62421 9.222172 
1 1 1    6    8   16 o  226.669   2.3399  383.570   7.9078  381.968   15.071  384.178   9.2893  225.766   4.4772  226.787   2.7472 -1.021362 5.252863 
1 1 1    6    8   17 o   68.760   4.0587   35.571   4.1425   44.666   8.4213   32.668   4.7579   76.313   7.4981   65.746   4.8887 10.56721 8.951066 
1 1 1    6    8   18 o  105.895   3.1722   84.039   5.0085  100.938   10.570   79.147   5.6874  115.053   6.1847  102.666   3.7155 12.38702 7.214993 
1 1 1    6    8   19 o   60.773   4.2467   28.080   3.8237   32.152   7.8374   26.808   4.3805   63.310   8.5192   59.147   5.0145 4.163364 9.885411 
1 1 1    6    8   20 o   34.907   7.6013   10.048   3.8440   13.135   6.5726   8.4433   4.7390   38.551   10.932   31.572   9.3815 6.979391 14.40541 
1 1 1    6    8   21 o   16.171   7.0819  -0.1955   3.2581  -0.8989   6.3457   0.0563   3.7968   21.235   9.5547   17.635   7.6860 3.599890 12.26241 
1 1 1    6    9    0 o  140.576   3.6168  147.640   7.5694  147.640   7.5694  147.640   7.5694  140.576   3.6168  140.576   3.6168 0.000000 0.000000 
1 1 1    6    9    1 o  390.632   2.0715  1137.71   12.065  1122.81   17.291  1151.84   16.844  388.041   2.9886  393.028   2.8743 -4.986908 4.146496 
1 1 1    6    9    2 o  119.599   1.6603  106.642   2.9606   96.490   5.6257  110.530   3.4818  113.750   3.3171  121.758   1.9179 -8.007935 3.831624 
1 1 1    6    9    3 o  142.309   1.8755  150.989   3.9794  145.583   10.297  151.938   4.3147  139.697   4.9438  142.754   2.0272 -3.057220 5.343294 
1 1 1    6    9    4 o  156.228   1.7514  181.969   4.0797  187.340   7.1981  179.427   4.9518  158.503   3.0459  155.130   2.1409 3.373535 3.722988 
1 1 1    6    9    5 o  310.354   2.0046  718.137   9.2757  729.193   13.319  707.724   12.925  312.716   2.8567  308.079   2.8139 4.636902 4.009792 
1 1 1    6    9    6 o  140.105   2.1017  146.355   4.3904  146.015   6.2656  146.684   6.1538  139.932   3.0031  140.253   2.9428 -0.3206940 4.204647 
1 1 1    6    9    7 o  170.516   1.9180  216.786   4.8761  211.910   7.3935  220.540   6.4869  168.572   2.9417  171.978   2.5299 -3.405655 3.879898 
1 1 1    6    9    8 o   64.325   3.4827   30.955   3.3277   33.828   4.9251   28.541   4.5139   67.140   4.9550   61.641   4.9533 5.499546 7.006233 
1 1 1    6    9    9 o  368.919   2.2945  1014.96   12.621  1008.98   17.884  1020.90   17.814  367.767   3.2615  369.936   3.2297 -2.169434 4.590001 
1 1 1    6    9   10 o  311.409   2.0435  723.206   9.4880  726.675   14.632  720.690   12.463  312.078   3.1447  310.826   2.6893 1.251770 4.137849 
1 1 1    6    9   11 o   80.178   2.8695   47.970   3.4302   47.445   5.3147   48.344   4.4909   79.557   4.4989   80.464   3.7434 -0.9069061 5.852643 
1 1 1    6    9   12 o   42.595   4.8103   13.742   3.0014   13.065   4.8370   14.166   3.8273   40.953   8.2077   43.049   6.1365 -2.096760 10.24813 
1 1 1    6    9   13 o  187.060   2.1383  261.065   5.9636  272.416   9.4707  253.606   7.6767  190.975   3.3261  184.316   2.7935 6.658676 4.343554 
1 1 1    6    9   14 o  201.172   2.3527  302.053   7.0567  312.207   12.618  297.432   8.5122  204.276   4.1430  199.572   2.8607 4.704010 5.034688 
1 1 1    6    9   15 o  138.758   2.7060  143.788   5.5983  153.451   10.376  139.820   6.6491  143.064   4.8643  136.776   3.2605 6.288254 5.855970 
1 1 1    6    9   16 o   52.662   5.6759   21.099   4.3861   31.057   7.6737   16.268   5.3453   63.412   8.3169   45.630   8.1562 17.78191 11.64882 
1 1 1    6    9   17 o   89.262   3.4648   59.679   4.6112   46.746   8.5281   65.023   5.4817   78.014   7.4212   93.107   3.9488 -15.09306 8.406403 
1 1 1    6    9   18 o   25.518   8.9351   4.6261   4.1957   12.598   10.877   3.2328   4.5476   40.206   14.357   23.845   9.1376 16.36099 17.01810 
1 1 1    6    9   19 o   30.474   7.6831   7.5819   3.4900   18.160   7.3462   4.4984   3.9662   46.038   10.875   24.743   8.6860 21.29478 13.91835 
1 1 1    6    9   20 o   35.312   6.6296   10.117   3.3623   13.998   6.4903   8.6939   3.9309   39.601   10.727   32.122   8.1843 7.478786 13.49250 
1 1 1    6   10    0 o   56.297   8.4938   25.206   6.6499   25.206   6.6499   25.206   6.6499   56.297   8.4938   56.297   8.4938 0.000000 0.000000 
1 1 1    6   10    1 o  435.536   2.3172  1414.34   15.047  1397.00   20.862  1433.15   21.725  432.825   3.2327  438.386   3.3238 -5.560883 4.636618 
1 1 1    6   10    2 o  169.487   1.7558  214.167   4.4369  223.538   6.2664  204.746   6.2831  173.148   2.4273  165.709   2.5431 7.439224 3.515548 
1 1 1    6   10    3 o  247.749   1.8287  457.622   6.7548  459.840   12.628  456.733   7.9947  248.319   3.4108  247.503   2.1665 0.8152161 4.040650 
1 1 1    6   10    4 o  457.742   2.3872  1562.27   16.292  1616.47   29.221  1537.83   19.625  465.530   4.2100  454.128   2.8985 11.40201 5.111292 
1 1 1    6   10    5 o  288.315   1.9890  619.772   8.5500  632.479   12.232  607.631   11.956  291.237   2.8169  285.459   2.8092 5.777924 3.978202 
1 1 1    6   10    6 o  507.582   2.6300  1921.15   19.903  1971.46   28.823  1875.30   27.518  514.118   3.7601  501.427   3.6807 12.69067 5.261788 
1 1 1    6   10    7 o  174.544   1.9195  227.154   4.9954  227.355   7.7786  227.013   6.5168  174.600   2.9880  174.480   2.5051 0.1209106 3.899197 
1 1 1    6   10    8 o  129.155   2.1300  124.387   4.1016  117.343   6.2249  129.792   5.4526  125.421   3.3288  131.919   2.7722 -6.498489 4.331991 
1 1 1    6   10    9 f  252.955   2.0728  477.166   7.8174  485.578   13.700  473.105   9.5191  255.089   3.6022  251.855   2.5350 3.233704 4.404767 
1 1 1    6   10   10 o  152.870   2.4331  174.321   5.5456  168.603   8.8674  177.993   7.1069  150.266   3.9579  154.443   3.0863 -4.176788 5.018991 
1 1 1    6   10   11 o   60.322   3.4688   27.259   3.1067   34.130   4.8918   22.615   4.0219   67.379   4.9031   54.765   4.9800 12.61368 6.988608 
1 1 1    6   10   12 o  210.636   2.0201  330.970   6.3441  331.942   9.9163  330.296   8.2545  210.846   3.1544  210.374   2.6316 0.4726715 4.107997 
1 1 1    6   10   13 o  132.366   2.5504  130.780   5.0333  137.152   7.4656  125.470   6.8151  135.459   3.6965  129.577   3.5276 5.882141 5.109561 
1 1 1    6   10   14 o  135.487   2.5007  137.041   5.0517  147.219   7.9953  130.278   6.5174  140.295   3.8223  132.031   3.3108 8.263977 5.056763 
1 1 1    6   10   15 o   38.840   6.3925   11.653   3.5731   15.263   5.5467   9.0934   4.6715   44.080   8.7485   33.976   9.0568 10.10318 12.59214 
1 1 1    6   10   16 f   98.205   3.4096   72.162   4.9923   71.712   9.2750   72.346   5.9237   97.237   6.4339   98.256   4.0435 -1.019936 7.599037 
1 1 1    6   10   17 o  121.408   3.2121  110.397   5.8145   95.984   10.287  117.164   7.0485  112.348   6.1645  124.961   3.7831 -12.61362 7.232819 
1 1 1    6   10   18 o  133.059   2.7426  132.687   5.4410  120.516   10.693  136.939   6.3204  125.712   5.7051  135.064   3.1386 -9.352676 6.511457 
1 1 1    6   10   19 o   23.374   7.8232   4.1851   3.2076   5.7553   6.6203   3.7034   3.6667   28.865   11.034   22.966   8.3188 5.898478 13.81824 
1 1 1    6   10   20 o   40.921   6.0972   13.421   3.6064   13.696   6.2398   13.283   4.4193   38.986   10.500   39.923   7.7034 -0.9367828 13.02283 
1 1 1    6   11    0 o  560.804   3.8796  2345.39   32.436  2345.39   32.436  2345.39   32.436  560.804   3.8796  560.804   3.8796 0.000000 0.000000 
1 1 1    6   11    1 o  311.524   1.9754  723.558   9.1753  745.645   17.645  715.373   10.742  316.194   3.7429  309.750   2.3259 6.444794 4.406697 
1 1 1    6   11    2 o   39.040   3.7869   11.474   2.1765   9.2119   2.9788   14.065   3.1879   34.641   5.9838   43.124   5.0539 -8.483341 7.832497 
1 1 1    6   11    3 f  264.408   1.8425  521.236   7.2636  538.118   13.000  513.573   8.7582  268.627   3.2458  262.451   2.2382 6.176086 3.942709 
1 1 1    6   11    4 o  421.183   2.1260  1322.66   13.351  1372.78   21.215  1289.80   17.180  429.041   3.3164  415.896   2.7705 13.14545 4.321363 
1 1 1    6   11    5 o  197.015   1.9780  289.402   5.8101  301.116   8.2831  278.056   8.1520  200.949   2.7646  193.100   2.8315 7.849030 3.957322 
1 1 1    6   11    6 o   93.408   2.7089   65.065   3.7727   66.673   5.4742   63.611   5.2066   94.539   3.8836   92.344   3.7816 2.195122 5.420599 
1 1 1    6   11    7 o  336.276   2.1606  843.225   10.833  833.943   15.319  852.508   15.321  334.376   3.0728  338.079   3.0394 -3.703461 4.322060 
1 1 1    6   11    8 o   67.767   3.4457   34.353   3.4701   39.866   5.7835   31.252   4.3375   72.856   5.3619   64.541   4.5363 8.315186 7.023404 
1 1 1    6   11    9 o  154.867   2.0185  178.863   4.6607  184.584   7.2232  174.783   6.1005  157.284   3.0802  153.068   2.6731 4.215820 4.078328 
1 1 1    6   11   10 o   44.444   5.1504   14.969   3.3496   15.917   5.7276   14.476   4.1294   45.238   8.8086   43.471   6.5767 1.766953 10.99291 
1 1 1    6   11   11 o  224.408   1.9863  375.638   6.6458  384.509   10.401  369.518   8.6394  226.949   3.0738  222.525   2.6040 4.424179 4.028478 
1 1 1    6   11   12 o  148.477   2.1972  164.486   4.8641  171.499   7.7103  159.850   6.2689  151.517   3.4130  146.324   2.8735 5.192215 4.461566 
1 1 1    6   11   13 o   86.202   2.9893   55.501   3.8420   59.421   6.2085   53.068   4.8909   88.948   4.6981   84.235   3.8943 4.712296 6.102264 
1 1 1    6   11   14 o  105.321   2.8089   82.854   4.4108   80.272   6.7961   84.733   5.7978  103.522   4.4031  106.438   3.6534 -2.915985 5.721396 
1 1 1    6   11   15 o  151.496   2.4847  171.392   5.6124  175.327   8.8446  168.739   7.2616  153.037   3.8763  150.228   3.2420 2.808395 5.053298 
1 1 1    6   11   16 o   75.507   3.5186   42.693   3.9612   30.906   6.4589   49.799   5.0151   63.480   6.9371   81.375   4.1472 -17.89548 8.082290 
1 1 1    6   11   17 f   67.407   4.6060   34.405   4.6014   32.223   8.3963   35.342   5.5011   63.821   9.0798   68.111   5.4630 -4.289749 10.59654 
1 1 1    6   11   18 o  100.921   3.3378   76.628   5.0225   66.551   8.7107   81.646   6.1472   92.760   6.3361  103.978   3.9652 -11.21736 7.474582 
1 1 1    6   11   19 o   61.742   4.4088   29.227   4.0319   31.171   7.8330   28.526   4.7027   61.388   8.8107   60.645   5.2528 0.7426262 10.25768 
1 1 1    6   11   20 f   59.434   4.4422   27.358   3.9080   31.971   7.6833   25.748   4.5390   61.316   8.6442   57.150   5.3906 4.166313 10.18732 
1 1 1    6   12    0 o  436.685   3.3163  1422.08   21.589  1422.08   21.589  1422.08   21.589  436.685   3.3163  436.685   3.3163 0.000000 0.000000 
1 1 1    6   12    1 o  274.443   1.8305  561.552   7.4903  548.938   10.902  572.828   10.309  271.327   2.6950  277.173   2.4945 -5.845764 3.672217 
1 1 1    6   12    2 o  491.322   2.7660  1800.06   20.262  1786.71   31.447  1809.54   26.496  489.405   4.3097  492.567   3.6078 -3.162720 5.620419 
1 1 1    6   12    3 f  256.073   2.2882  488.934   8.7364  481.367   12.559  496.029   12.161  254.057   3.3156  257.902   3.1625 -3.844894 4.582007 
1 1 1    6   12    4 o  152.695   1.8205  173.838   4.1445  176.143   6.5285  172.281   5.3640  153.689   2.8490  152.003   2.3668 1.686478 3.703916 
1 1 1    6   12    5 o  233.558   1.9907  406.732   6.9320  410.752   9.7789  402.673   9.8281  234.689   2.7946  232.368   2.8367 2.320755 3.982103 
1 1 1    6   12    6 o  238.512   1.8539  424.171   6.5926  429.328   10.279  420.568   8.5929  239.925   2.8733  237.480   2.4268 2.444839 3.761055 
1 1 1    6   12    7 o  315.416   2.3342  741.944   10.977  755.911   17.971  733.631   13.864  318.273   3.7871  313.608   2.9651 4.665588 4.809809 
1 1 1    6   12    8 o   32.029   5.8661   7.9110   2.6981   9.8010   4.1492   6.5264   3.5514   35.460   8.0340   29.054   7.9621 6.406961 11.31104 
1 1 1    6   12    9 f   32.490   5.9671   8.1488   2.7841   9.1267   4.2926   7.4387   3.6577   34.182   8.4667   30.895   7.9073 3.287352 11.58495 
1 1 1    6   12   10 o  256.887   2.3208  492.326   8.8889  493.401   11.650  490.828   13.752  257.098   3.0391  256.360   3.5978 0.7378235 4.709602 
1 1 1    6   12   11 o  241.365   2.0195  434.595   7.2674  438.690   11.393  431.784   9.4368  242.380   3.1526  240.526   2.6314 1.854599 4.106458 
1 1 1    6   12   12 o  126.230   2.4772  118.932   4.6623  121.116   6.8810  117.078   6.3392  127.295   3.6255  125.175   3.3966 2.119965 4.968010 
1 1 1    6   12   13 o   30.620   7.3024   7.3571   3.2870   11.849   5.7729   5.2023   3.9984   38.696   9.9502   26.670   8.7268 12.02606 13.23494 
1 1 1    6   12   14 o  115.244   2.9286   99.234   5.0321   96.492   7.2789  101.745   6.9644  113.493   4.3016  116.579   4.0067 -3.086105 5.878563 
1 1 1    6   12   15 o  167.672   2.6326  210.038   6.5814  200.473   9.4556  219.025   9.1662  163.604   3.8763  171.063   3.5939 -7.458420 5.286025 
1 1 1    6   12   16 o   38.029   6.6602   11.286   3.6387   16.587   6.1701   8.4586   4.5057   45.562   9.3949   32.615   8.9806 12.94664 12.99676 
1 1 1    6   12   17 o   87.552   3.6330   57.618   4.7424   58.961   8.1423   56.928   5.8342   87.650   6.2720   86.717   4.5281 0.9330826 7.735739 
1 1 1    6   12   19 o   68.655   3.7412   35.918   3.8151   39.771   7.1993   34.414   4.4987   70.457   6.9435   66.856   4.5401 3.601189 8.296057 
1 1 1    6   12   20 o   70.474   3.8537   38.196   4.0339   33.133   6.7066   41.066   5.0494   63.237   7.2438   72.551   4.6931 -9.314259 8.631218 
1 1 1    6   13    1 o  600.294   3.1540  2687.43   28.229  2744.17   46.036  2653.23   35.735  606.409   5.0917  596.390   4.0188 10.01886 6.486581 
1 1 1    6   13    2 o  304.169   2.2326  689.854   10.125  692.374   15.769  688.087   13.207  304.680   3.4712  303.757   2.9162 0.9228821 4.533570 
1 1 1    6   13    3 o  212.259   1.9571  335.926   6.1937  334.758   8.5644  337.207   8.9681  211.873   2.7111  212.644   2.8286 -0.7705688 3.918091 
1 1 1    6   13    4 o  180.156   1.7961  241.995   4.8244  248.987   7.6130  237.302   6.2365  182.719   2.7945  178.391   2.3448 4.328705 3.647871 
1 1 1    6   13    5 o  362.846   2.0289  981.724   10.976  981.240   16.789  982.084   14.505  362.699   3.1046  362.881   2.6809 -0.1817017 4.101969 
1 1 1    6   13    6 o  100.707   2.2855   75.635   3.4318   81.078   5.4515   72.061   4.4167  104.243   3.5075   98.286   3.0140 5.956375 4.624569 
1 1 1    6   13    7 o  102.323   2.5275   78.097   3.8560   84.736   7.3222   75.549   4.5360  106.516   4.6106  100.628   3.0233 5.887199 5.513442 
1 1 1    6   13    8 o  137.756   2.0533  141.533   4.2173  147.803   6.6535  137.323   5.4525  140.729   3.1710  135.669   2.6955 5.060577 4.161855 
1 1 1    6   13    9 o  155.501   2.1801  180.378   5.0545  175.459   7.0608  185.547   7.2387  153.316   3.0889  157.663   3.0794 -4.346466 4.361593 
1 1 1    6   13   10 o   89.751   2.7900   60.126   3.7335   65.551   5.4729   55.404   5.1061   93.655   3.9193   86.099   3.9776 7.556259 5.584135 
1 1 1    6   13   11 o  142.494   2.1669  151.502   4.6037  143.720   7.1870  156.918   5.9952  138.689   3.4756  144.977   2.7735 -6.288437 4.446632 
1 1 1    6   13   12 o  179.423   2.2829  240.271   6.1070  235.668   8.7537  244.635   8.5240  177.582   3.3061  180.948   3.1595 -3.366104 4.573081 
1 1 1    6   13   13 o   83.760   3.4730   52.463   4.3373   51.813   6.2780   53.058   5.9991   82.937   5.1017   83.979   4.8113 -1.041290 7.012529 
1 1 1    6   13   14 o  153.381   2.8200  175.781   6.4490  189.425   10.823  168.271   8.0302  158.929   4.5676  149.963   3.5915 8.966660 5.810457 
1 1 1    6   13   15 o   55.257   4.7274   23.107   3.8573   18.651   5.9889   26.266   5.0425   48.726   8.5558   58.724   5.8365 -9.998001 10.35698 
1 1 1    6   13   16 o   41.356   7.7034   13.514   4.5752   16.302   5.9995   9.6388   7.0728   45.068   9.2387   35.233   11.610 9.835300 14.83764 
1 1 1    6   13   17 o   75.431   3.5648   42.825   4.0092   40.304   6.3892   44.463   5.1491   72.329   5.9783   76.507   4.5342 -4.178246 7.503247 
1 1 1    6   13   18 o   23.070   8.4950   3.6672   3.8462   10.214   9.4423   2.3649   4.2114   35.325   13.251   21.654   8.6456 13.67150 15.82200 
1 1 1    6   14    0 o  149.479   2.7121  166.763   6.0399  166.763   6.0399  166.763   6.0399  149.479   2.7121  149.479   2.7121 0.000000 0.000000 
1 1 1    6   14    1 o  329.029   2.0970  807.239   10.287  801.643   14.433  813.017   14.666  327.852   2.9527  330.168   2.9792 -2.316254 4.194556 
1 1 1    6   14    2 o  302.008   2.2272  680.126   10.029  711.955   18.025  665.855   12.069  308.912   3.9135  298.805   2.7091 10.10709 4.759686 
1 1 1    6   14    3 o  171.212   2.0237  218.579   5.1658  231.334   7.3315  206.003   7.2799  176.118   2.7920  166.192   2.9380 9.925735 4.053036 
1 1 1    6   14    4 o  214.939   2.0221  344.495   6.4801  367.729   9.2856  322.436   9.0475  222.042   2.8048  207.914   2.9186 14.12801 4.047875 
1 1 1    6   14    5 o  180.947   1.8255  244.147   4.9249  235.362   7.5984  250.510   6.4673  177.629   2.8691  183.275   2.3667 -5.645111 3.719273 
1 1 1    6   14    6 o  133.173   2.2555  132.273   4.4784  141.012   7.1753  126.696   5.7320  137.458   3.5011  130.314   2.9501 7.143539 4.578290 
1 1 1    6   14    7 o  228.002   2.0490  387.718   6.9655  385.372   12.526  388.768   8.3809  227.193   3.6977  228.287   2.4623 -1.093613 4.442484 
1 1 1    6   14    8 o  201.040   1.9123  301.450   5.7319  309.904   8.9362  295.541   7.4713  203.772   2.9413  199.024   2.5178 4.747406 3.871750 
1 1 1    6   14    9 o   79.344   3.5752   47.027   4.2295   54.408   6.1516   40.409   5.8247   85.134   4.8665   73.263   5.3697 11.87060 7.246874 
1 1 1    6   14   10 o  142.343   2.2982  151.195   4.8774  144.659   6.9089  157.689   6.8865  139.158   3.3299  145.304   3.1787 -6.145416 4.603527 
1 1 1    6   14   11 o  169.841   2.0859  215.246   5.2822  217.154   8.2625  213.927   6.8692  170.478   3.2507  169.264   2.7219 1.213699 4.239759 
1 1 1    6   14   12 o   81.885   3.2279   50.116   3.9408   52.826   6.8394   48.769   4.8217   83.684   5.5125   80.720   4.0063 2.963455 6.814546 
1 1 1    6   14   13 o   91.985   3.1807   63.256   4.3622   62.432   6.4146   63.964   5.9497   91.107   4.7386   92.389   4.3192 -1.281799 6.411723 
1 1 1    6   14   14 o   73.165   4.6697   40.347   5.0675   46.518   7.5921   35.389   6.8053   78.187   6.5737   68.072   6.7960 10.11524 9.455112 
1 1 1    6   14   15 o   72.690   4.1279   39.798   4.4554   34.540   8.1231   42.060   5.3283   66.621   8.3621   74.600   4.8163 -7.978195 9.649948 
1 1 1    6   14   16 o   50.992   5.5188   19.956   4.1289   14.376   6.0965   24.683   5.6118   41.913   9.9116   56.386   6.8133 -14.47294 12.02747 
1 1 1    6   14   17 o   72.029   3.4290   39.097   3.6825   44.309   6.3580   36.465   4.5174   75.788   5.6676   69.191   4.4018 6.597054 7.176187 
1 1 1    6   14   18 o   37.311   7.0525   11.357   3.7795   6.5898   6.6315   13.651   4.5996   29.420   11.091   40.597   7.8832 -11.17735 13.60735 
1 1 1    6   14   19 o   69.925   4.0494   37.660   4.2037   30.947   7.1355   41.228   5.2022   60.543   8.1085   72.689   4.8276 -12.14547 9.436784 
1 1 1    6   15    0 o  697.309   4.6761  3627.58   48.611  3627.58   48.611  3627.58   48.611  697.309   4.6761  697.309   4.6761 0.000000 0.000000 
1 1 1    6   15    1 f  336.316   2.1304  843.455   10.683  841.461   15.117  845.445   15.098  335.868   3.0188  336.663   3.0078 -0.7948608 4.261479 
1 1 1    6   15    2 o  214.027   2.0971  341.591   6.6920  346.850   12.285  339.371   7.9799  215.594   3.8218  213.316   2.5090 2.276917 4.571751 
1 1 1    6   15    3 o  127.228   2.1873  120.715   4.1492  121.902   5.7535  119.428   5.9892  127.832   3.0187  126.523   3.1749 1.308525 4.380937 
1 1 1    6   15    4 o   29.738   6.5237   6.8743   2.8130   5.5114   3.9671   8.2524   3.9893   27.348   8.6701   32.552   8.2183 -5.204147 11.94613 
1 1 1    6   15    5 o  133.170   1.9586  132.255   3.8888  135.312   6.0491  130.102   5.0770  134.666   3.0128  132.064   2.5784 2.602127 3.965480 
1 1 1    6   15    6 o  321.684   1.9791  771.780   9.4924  781.398   14.728  764.947   12.415  323.582   3.0528  320.205   2.6004 3.377655 4.010204 
1 1 1    6   15    7 o  173.708   2.0969  225.081   5.4309  219.904   9.8114  227.367   6.5211  171.579   3.8353  174.566   2.5055 -2.986801 4.581116 
1 1 1    6   15    8 o  193.162   2.0239  278.334   5.8288  277.945   8.5201  278.676   7.9916  192.956   2.9615  193.225   2.7739 -0.2700348 4.057763 
1 1 1    6   15    9 o   62.503   4.4071   29.371   4.0807   24.518   5.4082   35.787   6.2182   56.767   6.5073   68.782   6.1276 -12.01565 8.938234 
1 1 1    6   15   10 o   27.534   7.3034   5.9176   3.0474   10.929   4.3828   1.2273   4.2401   37.327   8.1073   20.942   8.5604 16.38417 11.79023 
1 1 1    6   15   11 o  108.411   2.6974   87.774   4.3600   85.862   8.0817   88.558   5.1782  106.983   5.0666  108.856   3.1905 -1.872543 5.987443 
1 1 1    6   15   12 o   53.766   4.2293   21.789   3.3630   17.910   5.2521   24.485   4.3783   48.078   7.5777   56.861   5.2227 -8.782757 9.203179 
1 1 1    6   15   13 o   55.320   4.7806   23.142   3.9044   24.579   5.7491   21.911   5.3192   56.596   6.9598   53.418   6.8354 3.177750 9.755070 
1 1 1    6   15   14 o   81.762   3.7206   50.094   4.5356   51.460   6.8807   49.044   6.0314   82.412   5.6336   80.574   5.0460 1.837135 7.563032 
1 1 1    6   15   15 o   19.736   8.1770   0.9427   3.9374   0.9231   7.5589   0.9500   4.6125   26.142   11.110   21.119   8.8083 5.022926 14.17821 
1 1 1    6   15   16 o   76.756   3.8648   44.515   4.4087   47.413   7.8873   43.198   5.3169   78.137   6.8390   75.350   4.7571 2.787170 8.330804 
1 1 1    6   15   17 o  132.342   2.4516  131.443   4.8374  126.793   7.9678  134.156   6.0878  129.188   4.1366  133.454   3.0596 -4.265457 5.145150 
1 1 1    6   15   18 o   74.115   3.3761   41.673   3.7307   42.718   6.0889   41.046   4.7206   73.761   5.5778   73.017   4.3559 0.7436981 7.077186 
1 1 1    6   15   19 o   62.271   4.2208   30.129   3.8956   24.403   7.3952   32.328   4.5830   51.537   9.9848   64.117   4.8296 -12.58068 11.09146 
1 1 1    6   16    0 o  265.377   2.8053  525.339   11.097  525.339   11.097  525.339   11.097  265.377   2.8053  265.377   2.8053 0.000000 0.000000 
1 1 1    6   16    1 o  198.127   1.9275  292.730   5.6940  293.839   8.1377  291.666   7.9699  198.470   2.7500  197.736   2.7033 0.7331390 3.856238 
1 1 1    6   16    2 o  119.499   2.1048  106.498   3.7502  109.781   5.9637  104.350   4.8231  121.292   3.2977  118.271   2.7351 3.020172 4.284407 
1 1 1    6   16    3 o  154.740   2.1812  178.586   5.0322  171.891   7.1932  185.003   7.0425  151.772   3.1788  157.463   2.9997 -5.690811 4.370667 
1 1 1    6   16    4 o   53.377   3.7241   21.375   2.9452   18.646   3.9708   24.713   4.3913   49.635   5.4556   57.258   5.2005 -7.622646 7.537199 
1 1 1    6   16    5 o  259.384   2.8798  502.082   11.137  502.082   11.137   0.0000   0.0000  259.384   2.8798  ?   ?  0.000000 2.879850 
1 1 1    6   16    6 o  199.904   1.8640  298.057   5.5555  301.208   8.6270  295.824   7.2617  200.889   2.8803  199.118   2.4460 1.770401 3.778741 
1 1 1    6   16    7 o  156.055   2.0629  181.676   4.7999  189.255   7.1447  175.443   6.4800  159.214   3.0098  153.307   2.8349 5.906952 4.134676 
1 1 1    6   16    8 o  193.854   1.9278  280.342   5.5718  276.818   8.5343  282.961   7.3559  192.540   2.9729  194.708   2.5338 -2.168381 3.906203 
1 1 1    6   16    9 o   58.823   3.4631   25.949   3.0238   21.990   4.5703   29.032   4.0327   53.817   5.7867   62.125   4.3817 -8.308285 7.258457 
1 1 1    6   16   10 o  199.374   2.2120  296.686   6.5754  300.297   9.4769  293.334   9.1309  200.458   3.1708  198.132   3.0909 2.325745 4.428075 
1 1 1    6   16   11 o  108.838   2.9811   88.525   4.8376   88.342   8.3992   88.616   5.9178  108.455   5.1942  108.828   3.6471 -0.3723984 6.346719 
1 1 1    6   16   12 o  124.612   2.5044  115.981   4.6531  117.802   7.2107  114.683   6.0910  125.423   3.8559  123.826   3.2992 1.596893 5.074745 
1 1 1    6   16   13 o   85.655   3.8070   54.971   4.8619   52.190   6.3668   58.863   7.5304   83.129   5.1623   88.168   5.7600 -5.039253 7.734848 
1 1 1    6   16   14 o   87.677   3.4493   57.613   4.5090   54.155   6.5823   60.671   6.1893   84.555   5.2471   89.664   4.6456 -5.109039 7.008097 
1 1 1    6   16   15 o   41.910   7.4365   13.907   4.4767   15.223   7.6109   13.210   5.5355   42.678   11.639   40.256   9.3941 2.421444 14.95743 
1 1 1    6   16   16 o   25.093   8.0492   4.9285   3.4116   4.9836   5.1529   4.8854   4.5522   26.700   9.8325   25.963   9.2859 0.7373772 13.52427 
1 1 1    6   16   17 o   67.799   3.6766   34.984   3.7026   37.049   6.0927   33.775   4.6623   68.630   6.0150   66.159   4.7583 2.470741 7.669515 
1 1 1    6   16   18 o   37.256   6.1883   11.298   3.3168   12.195   5.2764   10.712   4.2649   36.830   9.5342   35.179   8.2705 1.650940 12.62156 
1 1 1    6   17    0 o  159.004   2.7345  188.711   6.4784  188.711   6.4784  188.711   6.4784  159.004   2.7345  159.004   2.7345 0.000000 0.000000 
1 1 1    6   17    1 f  313.379   2.4332  732.610   11.369  746.162   19.751  725.895   13.903  316.055   4.1914  311.886   2.9899 4.169006 5.148505 
1 1 1    6   17    2 o   92.922   2.2392   64.407   3.1023   64.681   4.7244   64.199   4.1134   93.083   3.4041   92.751   2.9745 0.3321762 4.520614 
1 1 1    6   17    3 o   73.543   2.9160   40.363   3.1974   34.112   4.2819   48.243   4.8072   67.430   4.2812   80.362   4.0121 -12.93190 5.867366 
1 1 1    6   17    4 o  244.148   2.6046  444.796   9.4811  451.948   10.396  409.445   23.114  246.082   2.8335  233.636   6.6352 12.44540 7.214906 
1 1 1    6   17    5 o  168.635   2.1170  212.149   5.3227  211.766   7.2807  212.589   7.8012  168.432   2.8992  168.743   3.1008 -0.3108978 4.245000 
1 1 1    6   17    6 o  163.675   2.0041  199.851   4.8907  195.199   7.2277  203.781   6.6423  161.688   2.9981  165.229   2.6963 -3.540787 4.032216 
1 1 1    6   17    7 f  106.036   2.2464   83.901   3.5515   90.411   5.4994   79.244   4.6515  110.006   3.3529  103.010   3.0286 6.996384 4.518252 
1 1 1    6   17    8 o  184.805   2.1300  254.858   5.8689  266.335   10.396  249.489   7.1103  188.733   3.6944  182.803   2.6088 5.930161 4.522657 
1 1 1    6   17    9 o   58.949   3.4966   26.075   3.0595   25.232   4.6398   26.723   4.0696   57.713   5.4568   59.538   4.6206 -1.825047 7.150254 
1 1 1    6   17   10 o   79.658   3.4196   47.458   4.0614   45.026   6.2956   49.191   5.3154   77.200   5.5056   80.893   4.4239 -3.692337 7.062744 
1 1 1    6   17   11 o   63.364   4.2257   30.227   3.9693   25.314   6.6518   32.944   4.9465   57.185   8.0224   66.027   5.0632 -8.841564 9.486558 
1 1 1    6   17   12 o  128.643   2.4985  123.632   4.7922  122.936   7.6482  124.081   6.1489  128.068   4.0054  128.789   3.2022 -0.7212067 5.128118 
1 1 1    6   17   13 o  117.362   2.7228  102.995   4.7645  106.415   7.5566  100.738   6.1384  119.032   4.2578  115.945   3.5509 3.087395 5.544184 
1 1 1    6   17   14 o   14.629   6.8569  -3.6661   3.7655  -6.7119   5.6154  -1.1774   5.0759   17.000   8.0890   19.837   8.7581 -2.837025 11.92214 
1 1 1    6   17   15 o   22.513   8.4558   3.1447   3.8474  -3.0250   6.6348   6.2703   4.7224   21.165   9.6218   28.468   9.4922 -7.302982 13.51601 
1 1 1    6   17   16 o   18.623   7.6785   1.1688   3.4486  -5.2801   5.1938   6.2537   4.6119   16.602   7.8643   27.935   9.3807 -11.33356 12.24107 
1 1 1    6   17   17 o   65.266   3.7094   32.549   3.5947   28.507   5.4553   35.651   4.7789   59.764   6.2130   67.792   4.7582 -8.027790 7.825672 
1 1 1    6   17   18 o   74.724   3.4202   42.680   3.8105   47.406   6.2539   39.890   4.8055   77.123   5.4743   71.451   4.5343 5.671684 7.108310 
1 1 1    6   18    0 o  166.190   2.7992  206.172   6.9317  206.172   6.9317  206.172   6.9317  166.190   2.7992  166.190   2.7992 0.000000 0.000000 
1 1 1    6   18    1 o  188.886   2.3422  266.190   6.5961  239.463   11.778  278.403   7.9617  178.967   4.4141  193.139   2.7648 -14.17210 5.208475 
1 1 1    6   18    2 o   87.004   2.8040   56.499   3.6373   54.789   4.5903   59.383   5.9627   85.644   3.5948   88.999   4.5083 -3.354729 5.766015 
1 1 1    6   18    3 o  124.847   2.0966  116.281   3.9026  110.897   5.5635  121.496   5.4758  121.873   3.0617  127.576   2.8788 -5.702812 4.202577 
1 1 1    6   18    4 o  134.173   2.8564  134.398   5.7142  138.168   6.1614  111.216   15.278  136.030   3.0379  121.090   8.5163 14.93988 9.041879 
1 1 1    6   18    5 o   96.850   2.6922   70.022   3.8875   70.032   5.0696   70.007   6.0566   96.811   3.5122   96.744   4.1989 0.6624603E-01 5.474136 
1 1 1    6   18    6 o  232.373   1.9057  402.845   6.6024  400.329   10.091  404.728   8.7306  231.529   2.9231  232.851   2.5148 -1.322083 3.856003 
1 1 1    6   18    7 o   11.393   5.4109  -3.1044   2.4903  -2.0683   3.7365  -3.9323   3.3402   16.054   7.2677   13.353   6.3198 2.701863 9.631173 
1 1 1    6   18    8 o   90.266   2.7761   60.861   3.7362   68.547   6.5469   57.149   4.5499   95.632   4.5915   87.420   3.4908 8.212822 5.767836 
1 1 1    6   18    9 o  103.927   2.6489   80.681   4.1045   78.391   6.8444   81.967   5.1291  102.250   4.4896  104.696   3.2858 -2.445900 5.563516 
1 1 1    6   18   10 o  117.065   2.4458  102.356   4.2690   95.595   6.5959  107.229   5.6001  112.968   3.9160  119.747   3.1366 -6.779572 5.017322 
1 1 1    6   18   11 o   69.509   3.5595   36.267   3.6765   38.728   5.9255   34.726   4.6880   71.483   5.6046   67.843   4.6629 3.639534 7.290719 
1 1 1    6   18   12 o   70.226   3.7072   37.067   3.8679   32.952   5.9772   40.032   5.0733   65.713   6.1730   72.814   4.6982 -7.100937 7.757481 
1 1 1    6   18   13 o   21.563   8.2894   2.5022   3.7498   10.748   6.7352  -1.2020   4.5141   36.622   11.250   18.632   8.2410 17.99035 13.94550 
1 1 1    6   18   14 o   43.674   6.3958   14.902   4.0413   14.169   5.8682   15.563   5.5737   41.515   9.6618   43.832   8.8339 -2.317200 13.09151 
1 1 1    6   18   15 o   71.291   3.7225   38.518   3.9430   46.342   6.2431   33.327   5.0856   77.522   5.4358   65.770   5.2294 11.75260 7.542799 
1 1 1    6   18   16 o   54.526   4.4590   22.929   3.5933   18.805   5.5251   25.952   4.7303   47.578   8.0775   57.502   5.5880 -9.924244 9.822011 
1 1 1    6   18   17 o   23.663   8.0918   4.5639   3.4323   2.2845   5.0037   6.5895   4.7169   22.041   9.1819   27.627   9.4850 -5.585733 13.20126 
1 1 1    6   19    0 o  164.760   4.7257  203.214   11.587  203.214   11.587  203.214   11.587  164.760   4.7257  164.760   4.7257 0.000000 0.000000 
1 1 1    6   19    1 o  242.015   2.3801  437.100   8.5883  431.116   10.348  450.345   15.396  240.293   2.8883  245.381   4.2082 -5.087646 5.104062 
1 1 1    6   19    2 f   39.163   4.9178   11.665   2.8082   9.6453   3.5885   14.855   4.5107   35.186   7.0854   43.879   7.1403 -8.693092 10.05915 
1 1 1    6   19    3 o  219.566   2.0619  359.699   6.7500  351.811   9.2398  368.726   9.8846  217.062   2.8550  222.202   2.9836 -5.140366 4.129520 
1 1 1    6   19    4 o  309.276   2.1916  713.791   10.106  715.575   13.949  711.820   14.661  309.521   3.0226  308.675   3.1857 0.8459778 4.391442 
1 1 1    6   19    5 o   71.423   3.1542   38.114   3.3589   37.199   4.7239   39.051   4.7769   70.332   4.5289   72.077   4.4671 -1.745102 6.361271 
1 1 1    6   19    6 o  244.174   2.1373  444.966   7.7811  457.350   11.014  432.623   10.995  247.417   2.9856  240.621   3.0647 6.795471 4.278533 
1 1 1    6   19    7 o   81.512   2.6791   49.628   3.2559   47.948   4.9736   50.888   4.3072   79.901   4.1895   82.484   3.5023 -2.583176 5.460605 
1 1 1    6   19    8 o   65.705   3.4308   32.384   3.3493   33.233   5.4904   31.881   4.2269   66.226   5.6132   65.064   4.3827 1.162094 7.121557 
1 1 1    6   19    9 o   97.590   2.6082   71.155   3.7951   74.030   5.8611   69.080   4.9800   99.399   3.9548   96.074   3.4766 3.325386 5.265676 
1 1 1    6   19   10 o  164.778   2.2195  202.763   5.4529  201.495   8.4115  203.682   7.1617  164.065   3.4386  165.049   2.9102 -0.9846344 4.504858 
1 1 1    6   19   11 o   80.014   3.4302   47.950   4.0922   46.015   6.0884   49.544   5.5268   77.967   5.2684   81.059   4.5919 -3.091499 6.988700 
1 1 1    6   19   12 o   44.673   5.5083   15.313   3.5912   16.890   5.6322   14.233   4.6617   46.138   8.5007   42.502   7.6372 3.635494 11.42749 
1 1 1    6   19   13 o   34.652   7.8686   9.6499   3.9726   4.0500   6.9033   12.422   4.8575   28.002   11.104   39.219   8.5483 -11.21700 14.01328 
1 1 1    6   19   14 o   69.702   4.2390   36.932   4.3844   35.166   7.4843   37.855   5.4099   66.569   7.6817   70.230   5.2035 -3.661598 9.278190 
1 1 1    6   19   15 o   41.217   6.5562   13.633   3.8941   13.571   5.5395   13.693   5.4752   39.741   9.4814   39.987   9.3507 -0.2459946 13.31659 
1 1 1    6   19   16 o   30.594   7.5458   7.9355   3.4206   6.8649   4.7619   9.0769   4.9167   28.297   9.5318   31.945   9.5702 -3.648758 13.50714 
1 1 1    6   19   17 o   45.605   5.8386   16.925   3.8788   16.391   6.9664   17.165   4.6696   40.548   11.168   44.999   7.2030 -4.450737 13.28906 
1 1 1    6   20    0 o   26.289   9.1069   6.7504   3.2197   6.7504   3.2197   6.7504   3.2197   26.289   9.1069   26.289   9.1069 0.000000 0.000000 
1 1 1    6   20    1 o  150.458   2.4901  168.995   5.5861  165.517   6.4204  179.829   11.331  148.865   2.8927  154.895   4.9066 -6.029663 5.695787 
1 1 1    6   20    2 o   44.046   4.1570   14.648   2.6976   10.923   3.6957   18.895   3.9467   37.506   6.8618   49.893   5.3912 -12.38667 8.726311 
1 1 1    6   20    3 o   57.003   3.4732   24.383   2.9378   28.560   4.1198   20.061   4.1904   61.582   4.5185   51.392   5.5573 10.19001 7.162421 
1 1 1    6   20    4 o   54.644   3.9189   22.460   3.1717   17.617   4.1464   29.290   4.9241   48.049   5.9127   62.231   5.3592 -14.18204 7.980057 
1 1 1    6   20    5 o  116.728   2.4883  101.746   4.3306  103.735   5.9608   99.522   6.3021  117.779   3.3944  115.333   3.6649 2.446350 4.995357 
1 1 1    6   20    6 o   79.251   3.5785   46.997   4.2284   36.874   6.6545   53.852   5.4760   69.613   6.4861   84.649   4.3535 -15.03577 7.811702 
1 1 1    6   20    7 o  114.660   2.6332   98.224   4.5017  105.629   9.0880   95.816   5.1821  118.540   5.1420  113.202   3.0703 5.337837 5.988920 
1 1 1    6   20    8 o   26.514   7.1602   5.5109   2.8970   7.0265   4.3754   4.3278   3.8657   30.098   9.0306   24.881   8.5841 5.216881 12.45948 
1 1 1    6   20    9 o  134.496   2.3540  135.125   4.7206  132.030   7.2032  137.455   6.2497  132.761   3.6390  135.552   3.0923 -2.790710 4.775430 
1 1 1    6   20   10 o  144.587   2.9898  156.410   6.4453  162.483   7.8999  144.318   11.147  147.249   3.5983  138.324   5.4048 8.925217 6.493039 
1 1 1    6   20   11 o   18.454   7.6153   0.8642   3.3954  -1.2020   5.3219   2.2827   4.4094   20.378   8.9839   22.429   8.8806 -2.050867 12.63237 
1 1 1    6   20   12 o   82.417   3.3817   50.992   4.1554   43.799   6.5653   55.799   5.3674   75.643   5.8671   86.056   4.1832 -10.41208 7.205695 
1 1 1    6   20   13 o   12.849   6.2259  -5.8533   3.6899   0.5520   6.3541  -9.1123   4.5324   23.478   10.087   13.240   6.5168 10.23816 12.00888 
1 1 1    6   20   14 o   71.440   3.7196   38.767   3.9482   34.310   5.8783   42.430   5.3293   66.204   6.0210   74.280   4.8384 -8.076218 7.724172 
1 1 1    6   20   15 o  101.324   3.0387   77.671   4.5906   84.842   7.1029   72.527   6.0160  104.958   4.5389   97.300   4.1469 7.657837 6.147990 
1 1 1    6   20   16 o   35.260   7.3854   10.620   3.7582   9.3639   5.2194   11.972   5.4160   31.755   9.9282   35.874   9.8331 -4.118748 13.97350 
1 1 1    6   21    0 o  231.757   2.8736  400.957   9.9261  400.957   9.9261  400.957   9.9261  231.757   2.8736  231.757   2.8736 0.000000 0.000000 
1 1 1    6   21    1 o   26.332   6.2290   5.4312   2.4073   5.9456   3.5016   4.9703   3.3149   27.702   8.0187   25.610   7.8967 2.092497 11.25423 
1 1 1    6   21    2 o   79.366   2.8287   47.063   3.3473   46.304   4.6125   47.907   4.8653   78.543   3.9513   79.874   4.0992 -1.330910 5.693495 
1 1 1    6   21    3 f  246.240   2.2158  452.658   8.1351  443.151   10.714  465.599   12.501  243.507   2.9511  249.506   3.3603 -5.998901 4.472214 
1 1 1    6   21    4 o   83.738   3.4692   52.465   4.3313   52.712   4.8620   51.515   9.5340   83.896   3.8869   82.000   7.8958 1.896698 8.800657 
1 1 1    6   21    5 o  137.397   2.7406  141.072   5.6142  137.364   6.5270  151.619   11.008  135.516   3.2304  141.997   5.1993 -6.481033 6.121082 
1 1 1    6   21    6 o  101.904   4.3580   77.917   6.6214   89.753   8.5567   60.251   10.454  109.211   5.2550   88.600   7.9998 20.61052 9.571364 
1 1 1    6   21    7 o  164.876   2.3732  203.068   5.8340  208.117   8.0647  197.524   8.4498  166.766   3.2435  162.418   3.4894 4.347992 4.764009 
1 1 1    6   21    8 o  101.836   3.0057   77.580   4.5638   75.018   6.0766   80.895   6.9121   99.996   4.0758  103.773   4.4674 -3.776802 6.047297 
1 1 1    6   21    9 o   26.463   7.6591   5.4678   3.1948   8.0017   4.8270   3.4924   4.2619   31.891   9.4663   23.977   8.9204 7.914024 13.00713 
1 1 1    6   21   10 o   71.486   3.6217   38.438   3.8476   41.123   5.9958   36.558   5.0168   73.530   5.5091   69.460   4.8752 4.070107 7.356443 
1 1 1    6   21   11 o   25.434   8.0552   4.9719   3.4251  -0.6059   5.3060   8.9564   4.4846   20.779   9.0704   33.282   8.8749 -12.50231 12.69000 
1 1 1    6   21   12 f   51.532   4.8560   20.337   3.6870   23.625   5.8480   18.169   4.7500   54.699   7.3571   48.060   6.8202 6.639610 10.03208 
1 1 1    6   21   13 f   66.247   3.9221   33.385   3.8567   31.230   5.9342   34.961   5.0745   63.028   6.4037   67.345   5.0914 -4.316837 8.181069 
1 1 1    6   21   14 o   66.325   4.1186   33.755   4.0527   21.655   7.1634   39.452   4.9148   49.655   10.021   71.455   4.6383 -21.80048 11.04274 
1 1 1    6   21   15 o   71.092   3.6659   38.775   3.8725   40.820   5.9639   37.285   5.0919   71.601   5.6320   68.886   4.9915 2.714691 7.525612 
1 1 1    6   21   16 o   70.258   4.1165   38.531   4.2933   38.657   5.9858   38.397   6.1612   68.788   5.8932   68.334   6.1118 0.4538651 8.490181 
1 1 1    6   22    0 o   88.076   3.5941   58.215   4.7019   58.215   4.7019   58.215   4.7019   88.076   3.5941   88.076   3.5941 0.000000 0.000000 
1 1 1    6   22    1 o  108.876   2.3707   88.532   3.8483   93.428   5.5706   84.062   5.3227  111.745   3.3435  105.992   3.3681 5.752228 4.745854 
1 1 1    6   22    2 o   99.005   2.5679   73.234   3.7905   74.185   5.2141   72.168   5.5203   99.551   3.5129   98.157   3.7720 1.393417 5.154428 
1 1 1    6   22    3 o   95.448   3.2109   68.157   4.5694   70.919   5.7218   63.293   7.5921   97.275   3.9451   91.485   5.5929 5.789841 6.844254 
1 1 1    6   22    4 o   46.062   4.6901   16.102   3.1761   12.338   4.1950   21.158   4.8617   39.698   7.3583   52.536   6.3344 -12.83766 9.709264 
1 1 1    6   22    5 o  215.152   2.2380  345.734   7.1793  332.642   9.5680  362.603   10.861  210.872   3.0432  220.095   3.3096 -9.222565 4.496046 
1 1 1    6   22    6 o  115.349   2.9424   99.525   5.0605   98.056   7.4351  100.792   6.9071  114.264   4.3642  115.916   3.9965 -1.651855 5.917673 
1 1 1    6   22    7 o  139.568   2.2878  145.527   4.7607  147.452   7.1466  143.992   6.3832  140.303   3.4163  138.708   3.0865 1.594971 4.604112 
1 1 1    6   22    8 o   34.808   7.6545   9.6130   3.8645   9.1846   4.8065   10.396   6.4992   33.895   9.2519   36.168   11.041 -2.272152 14.40492 
1 1 1    6   22    9 o  145.878   2.3221  159.084   5.0506  156.586   7.8513  160.848   6.5967  144.436   3.6458  146.545   3.0192 -2.109131 4.733653 
1 1 1    6   22   10 o  109.131   2.7321   89.200   4.4455   92.239   6.9376   87.083   5.7905  110.622   4.2063  107.641   3.6080 2.980560 5.541672 
1 1 1    6   22   11 o   66.376   3.7651   33.320   3.7108   26.955   5.8113   37.702   4.8217   58.723   6.7608   70.372   4.6212 -11.64935 8.189251 
1 1 1    6   22   12 o   36.077   8.3301   10.789   4.3901   4.9820   6.9187   14.703   5.6800   28.272   11.146   41.792   9.3494 -13.52004 14.54828 
1 1 1    6   22   13 o   21.179   7.8318   3.1050   3.2754   3.8619   4.8689   2.4793   4.4268   24.253   9.4117   21.869   8.8171 2.383995 12.89651 
1 1 1    6   22   14 o   23.793   8.2050   4.6019   3.5316   5.7798   4.9985   3.4279   4.9903   26.515   9.6962   23.369   9.3825 3.146418 13.49252 
1 1 1    6   22   15 o   55.280   4.5060   24.052   3.6816   29.436   5.7171   20.237   4.8121   59.529   6.5497   49.121   6.7489 10.40873 9.404567 
1 1 1    6   23    0 o   21.427   10.119   5.0818   3.6553   5.0818   3.6553   5.0818   3.6553   21.427   10.119   21.427   10.119 0.000000 0.000000 
1 1 1    6   23    1 o  144.373   2.2101  155.679   4.7575  153.783   6.6326  157.688   6.8278  143.361   3.1030  145.160   3.1547 -1.799774 4.425037 
1 1 1    6   23    2 o  125.125   2.3776  116.974   4.4357  122.902   6.1519  110.554   6.4015  128.139   3.2200  121.481   3.5343 6.657791 4.781194 
1 1 1    6   23    3 o   61.025   3.5680   27.998   3.2323   26.236   4.5279   29.829   4.6156   58.780   5.2208   62.755   4.9737 -3.975353 7.210782 
1 1 1    6   23    4 o   90.902   2.8554   61.807   3.8699   63.690   5.2893   59.638   5.6770   92.150   3.8498   89.108   4.2730 3.041626 5.751463 
1 1 1    6   23    5 o   18.192   7.7561   0.0817   3.7051   0.9780   4.9393  -1.0717   5.6029   21.854   9.1148   21.110   9.2648 0.7439041 12.99683 
1 1 1    6   23    6 o   66.774   3.8060   33.562   3.7735   29.713   4.8103   39.720   6.0844   62.545   5.2056   72.255   5.6939 -9.709770 7.714873 
1 1 1    6   23    7 o   39.021   6.6238   11.894   3.7158   13.586   4.8398   9.4657   5.7993   41.363   8.1378   34.482   10.408 6.881115 13.21183 
1 1 1    6   23    8 o   21.584   7.8097   3.0465   3.2303  -2.9057   4.7918   8.0048   4.3735   17.734   8.1063   31.615   8.9008 -13.88116 12.03892 
1 1 1    6   23    9 o   58.059   4.1940   25.551   3.6061   33.591   5.5000   19.489   4.7758   66.208   5.6249   50.028   6.5608 16.17996 8.641978 
1 1 1    6   23   10 o   40.751   6.2775   13.050   3.6917   18.661   6.9244   10.822   4.3636   47.306   10.123   36.433   8.2276 10.87339 13.04501 
1 1 1    6   23   11 f   39.724   6.2681   12.522   3.5893   16.763   6.1684   10.351   4.4135   44.562   9.5698   35.257   8.4961 9.305145 12.79707 
1 1 1    6   23   12 o   56.799   5.3861   25.255   4.5067   31.047   6.9561   21.066   5.9163   61.553   7.7515   50.319   8.1658 11.23372 11.25908 
1 1 1    6   23   13 o   34.464   6.6080   9.8304   3.2720   14.453   4.9944   6.3551   4.3308   40.803   8.4861   27.194   9.0904 13.60899 12.43580 
1 1 1    6   23   14 o   20.970   8.2902   2.9282   3.8372   1.0655   6.0504   4.1814   4.9629   21.739   9.5817   23.780   9.4196 -2.040922 13.43644 
1 1 1    6   23   15 o   19.859   8.0397   2.5901   3.6970  -4.3368   6.3101   6.2108   4.5621   17.889   8.5291   25.704   9.2839 -7.815100 12.60701 
1 1 1    6   24    0 o  114.291   3.4063   97.830   5.7928   97.830   5.7928   97.830   5.7928  114.291   3.4063  114.291   3.4063 0.000000 0.000000 
1 1 1    6   24    1 o   68.703   3.2104   35.349   3.2886   39.811   4.6883   31.027   4.6141   72.647   4.3484   63.997   4.8722 8.649189 6.530460 
1 1 1    6   24    2 o  191.917   2.2068  275.179   6.3147  277.616   8.7821  272.570   9.0863  192.572   3.0587  190.778   3.1944 1.794388 4.422624 
1 1 1    6   24    3 o   38.175   6.1917   11.322   3.4034   11.007   4.2016   11.922   5.8040   37.251   7.8143   38.413   10.027 -1.162197 12.71216 
1 1 1    6   24    4 o   46.594   5.2651   16.597   3.5935   25.695   5.5080   9.8548   4.7416   57.789   6.5058   35.034   9.0227 22.75483 11.12360 
1 1 1    6   24    5 o   45.932   6.1731   16.299   4.1206   14.721   5.3914   18.514   6.3896   42.913   8.7237   48.088   9.2477 -5.174435 12.71307 
1 1 1    6   24    6 o   99.944   2.9807   74.829   4.4417   73.664   5.8448   76.421   6.8334   98.979   3.9605  100.676   4.5524 -1.697121 6.034053 
1 1 1    6   24    7 o  106.349   2.9574   84.773   4.6893   87.772   6.3380   81.146   6.9706  107.988   3.9364  103.678   4.5093 4.310341 5.985781 
1 1 1    6   24    8 o   45.751   4.9158   16.052   3.3007   17.616   4.9894   14.836   4.4015   47.202   7.3270   43.331   7.0558 3.871655 10.17193 
1 1 1    6   24    9 o   85.216   3.0822   54.595   3.9160   60.289   6.0807   50.560   5.1189   88.979   4.5992   81.603   4.2217 7.376801 6.243042 
1 1 1    6   24   10 o   31.998   7.9443   8.4798   3.7726   6.7120   8.5058   8.9128   4.2092   31.291   12.352   32.645   8.5474 -1.353039 15.02079 
1 1 1    6   24   11 o   39.133   5.9839   12.251   3.3805   19.807   5.3655   7.2782   4.3531   49.064   7.5789   29.234   9.0550 19.82976 11.80813 
1 1 1    6   24   12 o   16.583   7.2837  -0.1957   3.4690   1.4739   6.1144  -0.9882   4.2127   22.701   9.8242   17.346   7.7970 5.354836 12.54221 
1 1 1    6   24   13 o   28.424   7.5525   7.0831   3.2552   1.6354   4.7259   12.001   4.4903   20.539   8.7581   36.598   8.4060 -16.05880 12.13942 
1 1 1    6   24   14 o   44.905   6.3428   17.058   4.1284   17.820   6.6454   16.578   5.2684   41.531   10.674   42.200   8.6634 -0.6695747 13.74719 
1 1 1    6   25    0 o   12.732   8.3285  -0.4549   3.9073  -0.4549   3.9073  -0.4549   3.9073   12.732   8.3285   12.732   8.3285 0.000000 0.000000 
1 1 1    6   25    1 o   74.057   3.1622   41.100   3.4916   41.064   5.0191   41.134   4.8605   73.675   4.5920   73.773   4.4396 -0.9740448E-01 6.387230 
1 1 1    6   25    2 o   15.533   6.7963  -0.5700   2.9946   1.9357   3.9925  -3.7930   4.5280   21.154   8.4267   16.450   7.6468 4.704063 11.37904 
1 1 1    6   25    3 f   35.117   7.0298   9.7579   3.5523   18.621   5.2327   2.1812   4.8379   48.733   7.4373   22.969   9.2325 25.76375 11.85551 
1 1 1    6   25    4 o   15.514   6.9747  -1.4840   3.3733  -2.5146   4.6854  -0.3750   4.8606   17.794   8.0879   20.127   8.7345 -2.332912 11.90401 
1 1 1    6   25    5 f   83.356   3.8531   52.290   4.7887   62.098   8.8233   48.195   5.7014   89.787   6.6380   79.675   4.8222 10.11210 8.204667 
1 1 1    6   25    6 f  120.252   2.7931  108.406   5.0078  103.313   6.5333  115.660   7.7975  117.134   3.7409  123.767   4.2255 -6.632355 5.643555 
1 1 1    6   25    7 o   95.354   3.6101   68.517   5.1325   63.988   7.0067   73.760   7.5395   91.504   5.1568   98.259   5.1644 -6.754761 7.298187 
1 1 1    6   25    8 o   89.441   3.1317   60.220   4.1762   60.611   5.8874   59.823   5.9248   89.303   4.4217   88.584   4.5007 0.7194595 6.309333 
1 1 1    6   25    9 f   54.699   4.9156   23.140   3.9661   29.520   5.8564   17.736   5.3903   61.036   6.5370   46.410   8.0836 14.62633 10.39604 
1 1 1    6   25   10 o   20.106   7.8295   2.4178   3.3785   2.7443   5.2163   2.1818   4.4343   23.170   9.4856   21.403   8.7521 1.766586 12.90645 
1 1 1    6   25   11 f   13.918   6.5253  -2.8017   3.4144 -10.5659   5.8818   1.1444   4.1932   14.965   7.3770   19.471   8.2750 -4.506517 11.08582 
1 1 1    6   25   12 o   32.096   7.2267   8.9205   3.3750   13.491   5.1055   5.3729   4.4980   38.260   9.0852   25.079   9.1939 13.18095 12.92552 
1 1 1    6   25   13 o   63.944   4.0502   32.109   3.8415   32.257   5.9916   32.007   5.0058   61.576   6.6307   62.619   5.4149 -1.043026 8.560801 
1 1 1    6   26    0 o   19.498   10.738   4.0752   4.5250   4.0752   4.5250   4.0752   4.5250   19.498   10.738   19.498   10.738 0.000000 0.000000 
1 1 1    6   26    1 o  112.045   3.9684   94.571   6.6295   95.408   7.0394   88.003   19.717  112.471   4.1978  102.299   13.238 10.17152 13.88724 
1 1 1    6   26    2 o   74.772   3.5660   42.043   3.9755   44.390   5.7026   39.822   5.5452   76.347   5.0380   72.250   5.1821 4.096825 7.227432 
1 1 1    6   26    3 o   22.483   8.2869   3.2633   3.6614   7.9002   5.2120  -1.2548   5.1448   31.440   9.9346   19.772   8.7690 11.66782 13.25106 
1 1 1    6   26    4 o   86.944   3.1445   56.788   4.0763   49.599   5.4833   65.670   6.0946   80.789   4.5709   93.160   4.3878 -12.37108 6.336074 
1 1 1    6   26    5 o   23.699   8.7866   3.6930   4.1279   4.3043   7.4115   3.4182   4.9701   28.472   11.433   24.436   9.5017 4.035305 14.86614 
1 1 1    6   26    6 f   46.769   5.6700   17.041   3.8730   14.822   5.0426   20.232   6.0478   42.587   8.2395   49.832   8.4412 -7.244827 11.79590 
1 1 1    6   26    7 o   39.975   7.8799   13.127   4.5296   20.209   5.3427  -4.9748   8.5418   50.084   7.3755   22.616   10.510 27.46723 12.83961 
1 1 1    6   26    8 o   20.260   7.7660   2.5384   3.2854   5.9322   4.7163  -0.6610   4.5793   27.183   9.4757   18.688   8.2813 8.494486 12.58451 
1 1 1    6   26    9 o   25.333   7.8232   5.3781   3.2520   5.4367   4.4698   5.3122   4.7403   25.900   9.2080   25.876   9.4455 0.2360535E-01 13.19110 
1 1 1    6   26   10 o   65.399   3.7271   32.922   3.6192   31.233   5.5347   34.184   4.7836   62.129   6.0517   65.898   4.9038 -3.769100 7.789097 
1 1 1    6   26   11 o   33.247   7.3607   9.6542   3.5524   12.018   6.3790   8.5917   4.2769   34.274   11.008   30.413   8.8789 3.860889 14.14238 
1 1 1    6   26   12 o   24.712   7.7645   5.5609   3.1879   6.8044   4.7740   4.5602   4.2827   26.521   9.5068   23.105   8.8643 3.415773 12.99831 
1 1 1    6   27    0 o   12.272   8.1291  -0.8694   3.9085  -0.8694   3.9085  -0.8694   3.9085   12.272   8.1291   12.272   8.1291 0.000000 0.000000 
1 1 1    6   27    1 o   42.279   4.9971   13.801   3.0891   13.479   4.5246   14.082   4.2278   40.861   7.7094   42.058   6.9873 -1.196384 10.40470 
1 1 1    6   27    2 o   39.801   5.2964   12.313   3.0650   13.577   4.4686   11.191   4.2119   41.026   7.5846   37.066   7.8648 3.960361 10.92619 
1 1 1    6   27    3 o   72.893   3.5442   40.105   3.8519   42.811   5.3352   37.160   5.5669   74.781   4.8106   69.401   5.4231 5.379486 7.249231 
1 1 1    6   27    4 o   40.773   5.2299   12.946   3.1060   12.711   4.6155   13.141   4.1992   39.292   8.1458   40.339   7.2482 -1.046513 10.90370 
1 1 1    6   27    5 o   26.326   7.7128   5.6722   3.2222   10.720   4.6564   1.0340   4.4635   35.629   8.8140   20.375   8.5918 15.25351 12.30876 
1 1 1    6   27    6 o   16.555   7.3401  -0.7110   3.6025  -2.1253   4.8614   1.0116   5.3650   17.984   8.1989   21.719   9.2982 -3.735725 12.39669 
1 1 1    6   27    7 o   28.770   8.9450   7.1191   4.2434   6.2516   4.4847   14.537   13.114   27.312   9.2500   38.012   15.228 -10.70020 17.81752 
1 1 1    6   27    8 o   45.733   4.8039   16.452   3.2267   14.413   4.6571   18.333   4.4747   41.036   7.8984   47.324   6.5145 -6.288467 10.23836 
1 1 1    6   27    9 o   30.268   7.4126   7.9687   3.3185   13.086   4.4911   1.8144   4.9251   38.557   8.0712   21.037   8.9549 17.51963 12.05552 
1 1 1    6   27   10 o   50.091   4.5634   19.918   3.3707   17.909   5.2540   21.324   4.3943   44.658   8.1927   50.836   5.9077 -6.178612 10.10059 
1 1 1    6   27   11 o   17.794   7.3507   1.7334   3.1685  -5.4665   4.8460   7.1100   4.1877   14.773   7.1526   27.000   8.9357 -12.22663 11.44579 
1 1 1    6   28    0 o   22.929   10.661   5.9713   4.0445   5.9713   4.0445   5.9713   4.0445   22.929   10.661   22.929   10.661 0.000000 0.000000 
1 1 1    6   28    1 o   39.020   5.2845   11.944   2.9953   13.064   4.5054   11.057   4.0098   39.742   7.8819   36.612   7.5945 3.129673 10.94538 
1 1 1    6   28    2 o   73.998   3.3215   41.423   3.6646   39.758   5.4489   42.797   4.9518   71.613   5.1374   74.656   4.4693 -3.043266 6.809336 
1 1 1    6   28    3 o   68.572   3.7321   35.847   3.8013   43.090   5.6016   29.665   5.1755   74.522   5.0716   61.443   5.7150 13.07936 7.640844 
1 1 1    6   28    4 o   37.929   6.1557   11.593   3.3618   9.4010   4.4991   14.364   5.0586   32.919   8.9370   41.035   8.5456 -8.116714 12.36515 
1 1 1    6   28    5 o   56.364   4.0781   24.488   3.4039   23.503   5.0301   25.321   4.6234   53.967   6.3744   56.543   5.5559 -2.575993 8.455836 
1 1 1    6   28    6 o   19.107   7.4378   2.2635   3.0481   7.9304   4.5205  -2.4612   4.1277   29.767   9.2287   15.855   7.3465 13.91113 11.79574 
1 1 1    6   28    7 o   64.009   4.6960   32.236   4.4504   39.388   5.2407   13.742   8.4272   70.528   5.0165   35.803   12.653 34.72475 13.61072 
1 1 1    6   28    8 o   18.666   7.4051   2.1769   3.0715  -6.5610   4.3110   11.185   4.3772   13.396   6.5441   34.969   8.4824 -21.57332 10.71335 
1 1 1    6   28    9 o   24.702   7.5230   5.4993   3.0200   4.5552   4.4708   6.2915   4.0955   23.258   9.0206   25.876   8.8392 -2.617739 12.62944 
1 1 1    6   28   10 o   15.433   6.9527  -0.3996   3.3724   1.3765   5.8047  -1.3044   4.1433   20.519   9.1928   16.062   7.4134 4.456974 11.80958 
1 1 1    6   29    0 o   25.710   10.310   7.1490   3.8400   7.1490   3.8400   7.1490   3.8400   25.710   10.310   25.710   10.310 0.000000 0.000000 
1 1 1    6   29    1 o   63.224   3.5125   30.577   3.2980   31.102   4.8873   30.138   4.4690   62.787   5.2694   62.049   4.8697 0.7380066 7.174969 
1 1 1    6   29    2 o   10.472   5.1467  -5.3205   2.7928  -2.4586   4.2394  -7.5146   3.7120   16.121   7.4609   11.746   5.8034 4.374969 9.452272 
1 1 1    6   29    3 o   46.989   4.6316   17.332   3.2027   22.918   4.6672   12.360   4.4029   53.253   5.9817   37.721   8.0725 15.53151 10.04719 
1 1 1    6   29    4 o   37.760   7.2285   12.142   3.9214   12.858   7.2985   11.851   4.6495   35.497   11.799   36.316   8.7010 -0.8186035 14.66021 
1 1 1    6   29    5 o   27.459   7.3476   6.5918   3.0673   9.7217   4.4303   3.7102   4.2509   32.460   8.8918   22.463   8.7726 9.996613 12.49093 
1 1 1    6   29    6 o   29.784   7.8370   7.9942   3.5273   5.8749   4.5077   11.341   5.6649   25.544   9.2281   33.592   10.317 -8.047554 13.84210 
1 1 1    6   29    7 o   20.907   7.9402   3.4625   3.4147   4.4305   4.3195   1.8498   5.5756   23.004   8.8821   21.202   9.2754 1.802143 12.84230 
1 1 1    6   29    8 o   16.825   7.0448   1.3359   2.9669   0.5251   4.3226   2.0581   4.0796   18.049   8.0196   19.356   8.1908 -1.307205 11.46310 
1 1 1    6   29    9 o   21.614   7.9526   4.2767   3.3699   5.7527   6.3792   3.7054   3.9688   24.250   10.251   20.977   8.3868 3.272921 13.24475 
1 1 1    6   30    0 o   14.808   9.0518   1.7946   3.8013   1.7946   3.8013   1.7946   3.8013   14.808   9.0518   14.808   9.0518 0.000000 0.000000 
1 1 1    6   30    1 o   17.555   6.9630   1.8452   2.7151   1.6612   3.9855   2.0046   3.7089   19.303   8.1281   19.334   7.9664 -0.3074646E-01 11.38112 
1 1 1    6   30    2 o   35.922   5.6867   10.655   2.9444   12.192   4.5270   9.5274   3.8762   36.454   8.4876   32.419   8.0551 4.035015 11.70145 
1 1 1    6   30    3 f   18.368   7.2012   2.2378   2.8729  -0.5716   4.1378   4.8528   3.9921   17.065   7.6935   23.657   8.6631 -6.592531 11.58614 
1 1 1    6   30    4 o   32.300   7.8803   9.5432   3.7613   7.2059   6.6089   10.663   4.5744   27.202   10.840   33.251   9.0050 -6.048611 14.09237 
1 1 1    6   30    5 o   19.713   7.3620   3.0986   2.9083   0.9743   4.2338   4.9965   4.0019   18.483   8.0842   23.511   8.6639 -5.028185 11.84980 
1 1 1    6   30    6 o   14.139   6.6138  -2.0312   3.4725  -6.1562   4.9386   2.0025   4.8837   14.464   7.0525   20.099   8.7390 -5.634897 11.22974 
1 1 1    6   30    7 o   20.068   7.5821   3.4572   3.1033   2.0394   4.4964   4.7469   4.2885   19.402   8.4106   22.542   8.8091 -3.139545 12.17940 
1 1 1    6   30    8 o   30.405   6.8946   8.6255   3.0535   5.1247   4.4178   11.828   4.2254   22.585   8.9059   34.141   8.3662 -11.55543 12.21924 
1 1 1    6   31    0 o   23.306   10.626   6.5273   4.0097   6.5273   4.0097   6.5273   4.0097   23.306   10.626   23.306   10.626 0.000000 0.000000 
1 1 1    6   31    1 o   16.299   6.8368   1.2011   2.8022  -0.1735   4.1906   2.3127   3.7686   17.127   7.7301   19.231   7.9864 -2.104223 11.11473 
1 1 1    6   31    2 o   15.004   6.5545   0.3206   2.7757  -0.3736   4.0664   0.9261   3.7981   16.689   7.5659   17.555   7.6683 -0.8663940 10.77245 
1 1 1    6   31    3 o   43.707   4.8437   15.669   3.1034   17.194   4.4581   14.235   4.3228   43.711   7.0829   39.114   7.6866 4.596939 10.45232 
1 1 1    6   31    4 o   18.152   7.2648   2.3816   2.9814   2.8419   4.1743   1.9022   4.2597   19.967   8.3580   18.982   8.2072 0.9854317 11.71387 
1 1 1    6   31    5 o   13.352   6.1906  -1.2986   2.9377  -2.2083   3.9424  -0.1628   4.4051   14.658   6.9156   17.004   7.7726 -2.346436 10.40376 
1 1 1    6   31    6 o   38.045   6.8927   13.459   3.7658   16.150   4.6506   8.3323   6.4178   40.391   8.0053   25.655   10.514 14.73687 13.21494 
1 1 1    6   32    0 o   43.832   7.2042   16.427   4.3259   16.427   4.3259   16.427   4.3259   43.832   7.2042   43.832   7.2042 0.000000 0.000000 
1 1 1    6   32    1 o   19.664   7.2366   3.5377   2.7906   7.1582   4.2698   0.8382   3.6870   25.444   9.0046   16.699   7.4139 8.744724 11.66401 
1 1 1    6   32    2 o   13.582   6.1881  -0.5292   2.7639   1.0018   4.2566  -1.6453   3.6343   17.521   7.8593   14.307   6.7156 3.214230 10.33768 
1 1 1    6   32    3 o   14.782   6.5687   0.3588   2.9007  -2.0023   4.1362   2.6437   4.0689   14.831   7.0235   18.896   8.0937 -4.064247 10.71619 
1 1 1    7    1    0 o   65.006   2.4905   31.644   2.4058   31.644   2.4058   31.644   2.4058   65.006   2.4905   65.006   2.4905 0.000000 0.000000 
1 1 1    7    1    1 o  298.511   1.7133  664.363   7.6254  666.441   10.776  662.279   10.792  298.962   2.4176  298.026   2.4286 0.9353333 3.426819 
1 1 1    7    1    2 o  452.431   2.4497  1526.36   16.525  1524.86   26.101  1527.36   21.347  452.120   3.8720  452.540   3.1639 -0.4199219 5.000287 
1 1 1    7    1    3 o  288.998   2.1112  622.779   9.0970  616.147   13.001  629.142   12.733  287.419   3.0338  290.438   2.9405 -3.019409 4.225011 
1 1 1    7    1    4 o  144.699   1.5715  156.109   3.3904  156.327   4.8455  155.900   4.7455  144.790   2.2446  144.592   2.2012 0.1974182 3.143786 
1 1 1    7    1    5 o  168.351   1.6605  211.310   4.1679  212.015   5.9404  210.628   5.8491  168.622   2.3628  168.070   2.3342 0.5520935 3.321330 
1 1 1    7    1    6 o  341.194   1.8716  867.933   9.5211  847.991   14.350  883.615   12.725  337.228   2.8541  344.249   2.4793 -7.020660 3.780587 
1 1 1    7    1    7 o  237.601   1.8738  420.897   6.6382  416.997   11.525  422.833   8.1206  236.476   3.2687  238.142   2.2871 -1.665619 3.989395 
1 1 1    7    1    8 o  343.112   2.1530  877.734   11.014  872.139   19.195  880.481   13.449  341.975   3.7645  343.639   2.6248 -1.663177 4.589290 
1 1 1    7    1    9 o  580.327   2.7062  2511.18   23.415  2542.42   44.434  2499.17   27.551  583.769   5.1051  578.914   3.1919 4.854797 6.020857 
1 1 1    7    1   10 o  461.918   2.3918  1590.97   16.473  1571.81   24.959  1605.76   21.927  459.064   3.6466  464.024   3.1693 -4.959656 4.831328 
1 1 1    7    1   11 o  181.068   2.2695  244.479   6.1268  263.335   15.376  240.920   6.6801  187.796   5.4913  179.740   2.4927 8.056366 6.030607 
1 1 1    7    1   12 o  277.435   2.0734  573.993   8.5768  597.849   16.723  565.478   9.9909  283.016   3.9630  275.352   2.4336 7.664490 4.650556 
1 1 1    7    1   13 o  196.470   1.9783  287.882   5.7952  286.090   9.5733  288.918   7.2808  195.785   3.2795  196.799   2.4813 -1.013992 4.112463 
1 1 1    7    1   14 o  190.237   2.1675  269.966   6.1477  275.809   9.5999  265.904   8.0044  192.199   3.3500  188.757   2.8442 3.442337 4.394532 
1 1 1    7    1   15 o  288.673   2.0756  621.687   8.9333  647.590   15.157  607.899   11.058  294.436   3.4526  285.395   2.5988 9.040466 4.321360 
1 1 1    7    1   16 f  161.215   2.3056  193.964   5.5419  225.192   12.220  185.879   6.2181  173.410   4.7265  157.793   2.6430 15.61711 5.415288 
1 1 1    7    1   17 o   72.673   3.9389   39.630   4.2521   44.028   6.9469   36.996   5.3769   76.269   6.1617   70.037   5.1860 6.231865 8.053650 
1 1 1    7    1   18 o   25.082   7.9685   4.7118   3.3497   8.5122   6.1662   3.1207   3.9897   33.523   10.828   23.075   8.6218 10.44767 13.84167 
1 1 1    7    1   19 o   89.730   3.1735   60.319   4.2456   51.823   8.9095   62.815   4.8292   81.990   7.3668   91.513   3.5393 -9.523537 8.172950 
1 1 1    7    1   20 o   64.976   4.2632   32.061   4.1072   14.979   8.0080   38.159   4.7843   41.785   12.135   70.821   4.5551 -29.03562 12.96203 
1 1 1    7    1   21 o   27.157   8.0417   6.0493   3.4866   7.5042   6.2048   5.3779   4.2150   30.586   10.852   26.222   8.9671 4.364754 14.07716 
1 1 1    7    2    0 o  224.458   2.6412  375.798   8.8364  375.798   8.8364  375.798   8.8364  224.458   2.6412  224.458   2.6412 0.000000 0.000000 
1 1 1    7    2    1 o  236.756   1.7142  417.927   6.0510  416.588   9.4522  418.856   7.8765  236.353   2.6823  237.008   2.2289 -0.6547699 3.487509 
1 1 1    7    2    2 o   11.019   4.5124   0.2952   1.1808   1.7010   1.6208  -1.2949   1.7238   15.986   5.5560   10.505   4.8241 5.481284 7.358028 
1 1 1    7    2    3 o  173.361   1.6848  224.086   4.3549  215.091   6.9026  230.034   5.6131  169.824   2.7261  175.638   2.1434 -5.814011 3.467860 
1 1 1    7    2    4 o  119.190   2.0471  105.927   3.6378  108.840   5.2036  103.143   5.0877  120.805   2.8890  117.601   2.9016 3.204239 4.094587 
1 1 1    7    2    5 o  158.592   1.8505  187.522   4.3757  188.117   7.0288  187.146   5.5913  158.828   2.9681  158.426   2.3671 0.4017944 3.796438 
1 1 1    7    2    6 o  184.819   1.7566  254.667   4.8406  261.613   8.4245  251.243   5.9145  187.308   3.0166  183.569   2.1610 3.738876 3.710748 
1 1 1    7    2    7 o  618.678   2.9861  2854.09   27.545  2902.70   48.630  2831.12   33.423  623.780   5.2288  616.151   3.6382 7.629517 6.369998 
1 1 1    7    2    8 o  231.727   2.1715  400.355   7.5025  406.645   12.159  396.488   9.5338  233.517   3.4923  230.596   2.7730 2.921158 4.459290 
1 1 1    7    2    9 o  617.519   3.3485  2843.72   30.830  2858.76   39.973  2821.64   48.435  619.079   4.3306  614.963   5.2825 4.116333 6.830751 
1 1 1    7    2   10 o  255.456   2.1552  486.577   8.2086  485.989   11.654  487.156   11.564  255.277   3.0620  255.584   3.0345 -0.3072510 4.310912 
1 1 1    7    2   11 o   56.361   3.9661   23.819   3.3115   15.832   6.0528   27.231   3.9562   45.152   9.3007   60.242   4.4358 -15.09008 10.30432 
1 1 1    7    2   12 o  219.376   2.0460  358.896   6.6923  359.645   12.729  358.610   7.8674  219.505   3.8892  219.274   2.4064 0.2313995 4.573515 
1 1 1    7    2   13 o  204.177   2.0977  310.936   6.3859  306.433   9.6557  314.438   8.5137  202.627   3.1961  205.285   2.7816 -2.658157 4.237001 
1 1 1    7    2   14 o  197.442   2.0321  290.788   5.9821  307.496   10.094  281.742   7.4269  202.934   3.3360  194.314   2.5635 8.620865 4.207219 
1 1 1    7    2   15 o   81.575   2.8570   49.679   3.4748   45.825   6.1907   51.452   4.1986   78.025   5.3539   82.993   3.3931 -4.968185 6.338543 
1 1 1    7    2   16 o   93.792   2.8964   65.695   4.0504   81.959   8.8328   61.365   4.5579  104.347   5.6990   90.620   3.3734 13.72684 6.622557 
1 1 1    7    2   17 o  103.905   3.0956   80.673   4.7956   76.385   7.2420   84.021   6.4000  100.940   4.8119  105.952   4.0513 -5.011467 6.290324 
1 1 1    7    2   18 o   42.768   5.7438   14.024   3.5700   24.195   6.2695   9.1434   4.3428   55.919   7.7261   33.958   8.5755 21.96104 11.54258 
1 1 1    7    2   19 f   23.023   8.6461   3.1646   4.0222   0.0000   0.0000   3.1646   4.0222  ?   ?    23.023   8.6461 0.000000 8.646115 
1 1 1    7    2   20 o  106.942   3.0135   85.911   4.8049   98.419   9.5022   81.614   5.5695  113.401   5.6200  104.068   3.5894 9.332985 6.668462 
1 1 1    7    3    0 o   47.612   2.8418   17.083   2.0009   17.083   2.0009   17.083   2.0009   47.612   2.8418   47.612   2.8418 0.000000 0.000000 
1 1 1    7    3    1 o  194.768   1.6916  282.841   4.9124  286.884   6.1024  275.396   8.2800  196.147   2.0866  192.158   2.8900 3.988647 3.564589 
1 1 1    7    3    2 o   99.802   1.9077   74.269   2.8387   72.920   3.1854   79.475   6.2566   98.888   2.1605  103.202   4.0661 -4.314178 4.604421 
1 1 1    7    3    3 o  346.430   2.3164  894.943   11.965  877.667   16.615  913.553   17.244  343.022   3.2486  349.961   3.3049 -6.938995 4.634186 
1 1 1    7    3    4 o  494.776   2.2652  1825.37   16.711  1849.88   25.917  1807.93   21.862  498.014   3.4904  492.368   2.9780 5.645447 4.588157 
1 1 1    7    3    5 o  221.100   1.7185  364.467   5.6651  358.496   7.9797  370.535   8.0440  219.271   2.4408  222.923   2.4202 -3.651596 3.437273 
1 1 1    7    3    6 o  457.213   2.6023  1558.67   17.740  1537.64   27.759  1573.19   23.064  454.056   4.1004  459.309   3.3679 -5.253021 5.306182 
1 1 1    7    3    7 o  629.965   3.0352  2959.20   28.508  2898.23   39.499  3025.50   41.187  623.370   4.2498  636.905   4.3372 -13.53430 6.072288 
1 1 1    7    3    8 o  267.247   2.2179  532.512   8.8376  539.013   14.292  528.487   11.245  268.842   3.5656  266.223   2.8330 2.619354 4.554040 
1 1 1    7    3    9 o  590.752   3.2459  2602.54   28.590  2581.44   36.609  2635.52   45.774  588.288   4.1738  594.329   5.1656 -6.041504 6.641040 
1 1 1    7    3   10 o  196.145   2.3844  286.881   6.9731  291.193   9.0938  280.727   10.864  197.597   3.0867  193.994   3.7559 3.602921 4.861517 
1 1 1    7    3   11 o  276.829   2.3948  571.507   9.8845  586.744   15.929  561.965   12.605  280.418   3.8098  274.476   3.0801 5.941620 4.899186 
1 1 1    7    3   12 f   67.534   3.4102   34.122   3.4227   26.379   5.2669   39.783   4.5031   59.080   6.0652   72.876   4.1616 -13.79598 7.355679 
1 1 1    7    3   13 o  187.577   2.5137  262.500   7.0300  271.754   9.1421  249.109   10.997  190.809   3.2135  182.621   4.0387 8.188080 5.161170 
1 1 1    7    3   14 o  140.050   2.4018  146.347   5.0152  145.313   7.5735  147.154   6.6929  139.477   3.6419  140.389   3.1975 -0.9125519 4.846346 
1 1 1    7    3   15 o   45.375   5.2500   15.630   3.4862   19.232   6.7783   14.334   4.0650   49.582   9.5151   43.211   6.5117 6.371735 11.52996 
1 1 1    7    3   16 o   76.642   3.5531   43.908   4.0601   46.288   8.1589   43.125   4.6809   78.066   7.0869   75.804   4.1574 2.261963 8.216370 
1 1 1    7    3   17 o   91.124   3.7840   62.128   5.1411   54.156   7.0796   71.023   7.4781   84.707   5.6377   97.140   5.1820 -12.43204 7.657471 
1 1 1    7    3   18 o  149.568   2.6585  167.191   5.9286  193.366   11.885  158.521   6.8404  160.348   4.9714  145.564   3.1518 14.78397 5.886269 
1 1 1    7    3   19 o   37.911   8.1706   11.507   4.4823   0.0000   0.0000   11.507   4.4823  ?   ?    37.911   8.1706 0.000000 8.170650 
1 1 1    7    3   20 o   39.811   6.8296   12.609   3.9079   17.366   6.7685   10.231   4.7862   45.414   10.240   35.124   9.0747 10.29081 13.68276 
1 1 1    7    3   21 o   59.982   4.2125   27.564   3.7434   33.199   7.3916   25.620   4.3413   63.806   7.9416   57.448   5.1222 6.357311 9.450179 
1 1 1    7    4    0 o  520.071   4.4196  2017.89   34.265  2017.89   34.265  2017.89   34.265  520.071   4.4196  520.071   4.4196 0.000000 0.000000 
1 1 1    7    4    1 o   93.691   2.7382   65.468   3.8250   68.888   4.6609   58.412   6.6936   96.100   3.2530   88.305   5.1058 7.794281 6.053990 
1 1 1    7    4    2 o  176.624   1.3811  232.587   3.6369  233.223   5.5500  232.108   4.8147  176.854   2.1048  176.436   1.8303 0.4183655 2.789286 
1 1 1    7    4    3 o  206.552   1.5626  318.087   4.8122  323.728   6.9531  312.900   6.6670  208.364   2.2381  204.850   2.1828 3.513245 3.126344 
1 1 1    7    4    4 o  167.051   1.4870  208.053   3.7036  211.229   5.7131  205.751   4.8640  168.313   2.2766  166.120   1.9638 2.193207 3.006562 
1 1 1    7    4    5 o  174.904   1.5627  228.072   4.0752  217.451   6.1328  236.469   5.4532  170.775   2.4086  178.091   2.0537 -7.315414 3.165292 
1 1 1    7    4    6 o  473.871   2.4428  1674.28   17.259  1693.70   30.258  1664.92   21.012  476.536   4.2587  472.526   2.9825 4.009460 5.199166 
1 1 1    7    4    7 o  383.602   2.0480  1097.11   11.713  1114.06   18.198  1085.12   15.305  386.526   3.1578  381.485   2.6908 5.041260 4.148738 
1 1 1    7    4    8 o  492.460   2.5959  1808.31   19.061  1801.91   33.167  1811.47   23.291  491.480   4.5262  492.864   3.1695 -1.384155 5.525571 
1 1 1    7    4    9 o  439.913   2.2993  1442.96   15.081  1450.77   23.190  1437.24   19.853  441.047   3.5265  439.009   3.0331 2.037384 4.651400 
1 1 1    7    4   10 o   77.816   3.2703   45.166   3.7942   40.570   5.3424   49.843   5.3896   73.564   4.8988   81.608   4.4463 -8.043251 6.615725 
1 1 1    7    4   11 o  208.519   2.1748  324.247   6.7614  316.895   11.916  327.739   8.2113  206.068   3.8784  209.623   2.6273 -3.555435 4.684458 
1 1 1    7    4   12 o  160.204   2.1299  191.416   5.0875  194.718   7.8679  189.044   6.6694  161.531   3.2669  159.182   2.8101 2.349228 4.309190 
1 1 1    7    4   13 o  334.710   2.3791  835.775   11.873  840.553   16.873  831.089   16.709  335.543   3.3726  333.651   3.3589 1.892426 4.759909 
1 1 1    7    4   14 o   72.630   3.4307   39.398   3.7150   45.531   5.9365   35.450   4.7630   77.820   5.1455   68.682   4.6791 9.138069 6.954822 
1 1 1    7    4   15 o   89.771   3.1326   60.192   4.1928   75.448   11.418   57.814   4.5077   99.736   7.7392   87.963   3.4371 11.77232 8.468077 
1 1 1    7    4   16 o  104.039   3.0125   80.856   4.6730   91.925   13.440   79.333   4.9840  109.917   8.2611  103.039   3.2442 6.878487 8.875318 
1 1 1    7    4   17 o   67.979   4.7701   34.828   4.8041   32.481   8.1199   36.093   5.9590   64.830   8.6138   69.024   5.8452 -4.193771 10.40979 
1 1 1    7    4   18 o  191.281   2.4806  273.407   7.0746  289.110   14.085  268.109   8.1815  196.058   4.8185  189.337   2.8982 6.720612 5.622973 
1 1 1    7    4   19 o   41.376   5.9134   13.279   3.5442   20.604   7.5312   11.195   4.0168   50.139   10.415   37.517   7.4437 12.62208 12.80134 
1 1 1    7    4   20 o   28.406   7.8523   6.5742   3.4367   2.4198   6.6028   8.1180   4.0249   25.440   10.568   31.393   8.4237 -5.953535 13.51486 
1 1 1    7    4   21 o   50.830   4.6278   19.978   3.4688   30.884   7.4003   16.907   3.9269   61.100   8.3413   46.240   5.8251 14.86008 10.17393 
1 1 1    7    5    0 o  637.932   5.2005  3036.43   49.457  3036.43   49.457  3036.43   49.457  637.932   5.2005  637.932   5.2005 0.000000 0.000000 
1 1 1    7    5    1 o   67.659   2.2735   34.135   2.2934   43.439   4.3632   30.584   2.6959   76.208   3.8525   64.038   2.8236 12.17014 4.776413 
1 1 1    7    5    2 o  266.210   1.9372  528.397   7.6888  545.487   11.491  514.544   10.346  270.454   2.8497  262.678   2.6416 7.775940 3.885774 
1 1 1    7    5    3 o  386.295   2.0723  1112.62   11.936  1131.42   17.074  1094.65   16.692  389.514   2.9400  383.133   2.9220 6.380737 4.145033 
1 1 1    7    5    4 o  275.334   1.6476  565.193   6.7636  560.042   10.315  569.078   8.9586  274.061   2.5243  276.271   2.1749 -2.209106 3.331964 
1 1 1    7    5    5 o  560.707   2.7153  2344.23   22.700  2291.15   38.383  2372.78   28.151  554.215   4.6451  564.081   3.3472 -9.866028 5.725410 
1 1 1    7    5    6 o  323.831   2.0156  781.852   9.7318  774.141   13.669  789.779   13.859  322.213   2.8452  325.451   2.8561 -3.237885 4.031427 
1 1 1    7    5    7 o  336.752   1.9456  845.487   9.7687  855.432   15.208  838.500   12.746  338.703   3.0115  335.346   2.5492 3.356964 3.945591 
1 1 1    7    5    8 o  196.473   2.4960  287.826   7.3116  291.116   10.760  285.004   9.9661  197.571   3.6526  195.491   3.4192 2.079712 5.003282 
1 1 1    7    5    9 o  103.373   2.5205   79.683   3.8848   73.309   5.9965   84.293   5.0996   99.133   4.0570  106.313   3.2172 -7.180222 5.177834 
1 1 1    7    5   10 o  343.284   2.2714  878.760   11.626  890.685   16.646  867.404   16.243  345.555   3.2309  341.011   3.1948 4.543793 4.543717 
1 1 1    7    5   11 o   94.655   2.6047   66.827   3.6760   64.267   5.4924   68.905   4.9474   92.791   3.9700   96.096   3.4531 -3.304398 5.261572 
1 1 1    7    5   12 o  204.082   2.0409  310.630   6.2101  320.557   9.7573  303.871   8.0513  207.253   3.1576  201.817   2.6757 5.435898 4.138825 
1 1 1    7    5   13 o  132.242   2.3554  130.470   4.6441  147.518   7.3240  119.005   6.0060  140.553   3.4949  126.259   3.1904 14.29482 4.732151 
1 1 1    7    5   14 o   54.743   3.8512   22.506   3.1234   20.853   4.9151   23.626   4.0451   52.322   6.4363   55.972   4.8965 -3.650200 8.087106 
1 1 1    7    5   15 o   89.759   3.4359   60.206   4.5982   0.0000   0.0000   60.206   4.5982  ?   ?    89.759   3.4359 0.000000 3.435875 
1 1 1    7    5   16 f  150.588   2.3599  169.270   5.2986  189.273   11.443  163.812   5.9781  158.911   4.8298  148.110   2.7071 10.80135 5.536728 
1 1 1    7    5   17 o   60.810   4.4656   27.873   4.0205   35.786   7.7822   24.992   4.6957   68.272   7.7845   57.383   5.5581 10.88867 9.565078 
1 1 1    7    5   18 f  102.004   3.2315   77.907   4.9146   88.848   10.679   74.967   5.5357  107.972   6.6661   99.991   3.7132 7.980713 7.630505 
1 1 1    7    5   19 o   91.600   3.1460   62.968   4.2966   67.014   9.0857   61.803   4.8763   93.251   6.5770   90.654   3.6077 2.596786 7.501521 
1 1 1    7    5   20 o   67.836   4.2311   35.067   4.2581   41.356   7.7625   32.360   5.0927   72.208   7.3109   64.745   5.3228 7.463158 9.043312 
1 1 1    7    5   21 o   66.579   3.7625   33.838   3.7196   45.894   7.7704   30.255   4.2365   75.532   6.9788   62.593   4.5712 12.93945 8.342594 
1 1 1    7    6    0 o  444.673   4.0582  1474.91   26.901  1474.91   26.901  1474.91   26.901  444.673   4.0582  444.673   4.0582 0.000000 0.000000 
1 1 1    7    6    1 o  668.112   3.8440  3329.58   38.292  3369.15   54.728  3291.63   53.596  671.873   5.4632  664.106   5.4128 7.767761 7.690616 
1 1 1    7    6    2 o  235.857   1.9456  414.759   6.8418  440.702   11.301  399.749   8.5962  243.097   3.1180  231.540   2.4900 11.55634 3.990278 
1 1 1    7    6    3 o  148.061   1.8578  163.443   4.1012  166.184   6.8636  161.921   5.1148  149.283   3.0837  147.365   2.3279 1.917725 3.863687 
1 1 1    7    6    4 o  295.419   1.7082  650.659   7.5239  649.862   11.529  651.250   9.9298  295.221   2.6193  295.544   2.2535 -0.3227234 3.455219 
1 1 1    7    6    5 o  277.501   2.0069  574.139   8.3034  575.901   17.887  573.655   9.3746  277.872   4.3175  277.380   2.2668 0.4919739 4.876395 
1 1 1    7    6    6 o  243.931   1.8824  443.625   6.8461  445.930   9.6444  441.285   9.7197  244.552   2.6450  243.275   2.6797 1.277618 3.765236 
1 1 1    7    6    7 f  779.330   3.3377  4529.31   38.783  4515.15   59.149  4539.98   51.366  777.933   5.0996  780.147   4.4160 -2.214294 6.745871 
1 1 1    7    6    8 o  327.039   2.3707  797.487   11.560  764.057   17.991  820.995   15.086  320.064   3.7700  331.803   3.0496 -11.73941 4.848996 
1 1 1    7    6    9 o  291.281   1.9700  632.619   8.5558  639.289   13.275  627.880   11.190  292.777   3.0411  290.170   2.5864 2.607330 3.992247 
1 1 1    7    6   10 o  401.093   2.4039  1199.75   14.376  1242.09   20.962  1162.15   19.753  408.030   3.4457  394.690   3.3566 13.34021 4.810363 
1 1 1    7    6   11 o  144.305   2.1612  155.305   4.6499  154.605   7.1693  155.812   6.1090  143.939   3.3406  144.519   2.8351 -0.5805054 4.381525 
1 1 1    7    6   12 f  314.863   2.2848  739.522   10.726  762.732   19.491  729.441   12.846  319.549   4.0910  312.666   2.7556 6.882965 4.932482 
1 1 1    7    6   13 o  114.400   2.7027   97.670   4.6100  109.232   8.5675   92.958   5.4693  120.847   4.7550  111.578   3.2876 9.268837 5.780834 
1 1 1    7    6   14 o  117.697   2.7918  103.413   4.8992  119.075   9.2527   97.312   5.7751  126.109   4.9210  114.133   3.3937 11.97511 5.977763 
1 1 1    7    6   15 o   44.889   5.6517   15.358   3.6987   18.195   10.306   14.939   3.9627   47.833   13.731   44.165   6.1877 3.667274 15.06051 
1 1 1    7    6   16 o  182.239   2.2361  247.887   6.0757  269.566   12.805  241.588   6.9021  189.684   4.5277  179.874   2.5736 9.810028 5.208020 
1 1 1    7    6   17 o   77.830   3.6671   45.348   4.2554   59.028   9.1100   41.531   4.8127   88.043   6.9976   74.291   4.3641 13.75244 8.246923 
1 1 1    7    6   18 o   36.209   7.4433   10.371   3.8842   7.1944   7.4956   11.537   4.5415   32.525   11.877   38.053   8.2430 -5.527531 14.45695 
1 1 1    7    6   19 o   51.851   4.6940   20.531   3.5895   23.027   7.6214   19.819   4.0691   52.916   10.027   50.724   5.4668 2.191891 11.42051 
1 1 1    7    6   20 o   25.590   8.8558   5.0121   4.1157   9.9863   6.6186   1.8759   5.2554   34.228   11.229   22.726   9.4339 11.50134 14.66605 
1 1 1    7    6   21 o   24.545   7.9807   4.9256   3.3459   7.9529   6.7738   3.9486   3.8482   30.643   11.275   23.155   8.5015 7.487747 14.12100 
1 1 1    7    7    0 o  170.553   3.3371  217.136   8.4787  217.136   8.4787  217.136   8.4787  170.553   3.3371  170.553   3.3371 0.000000 0.000000 
1 1 1    7    7    1 o  412.610   2.7787  1269.49   17.094  1251.36   23.817  1288.74   24.549  409.605   3.8998  415.675   3.9611 -6.069763 5.558684 
1 1 1    7    7    2 o  354.318   1.9954  936.006   10.541  919.362   18.763  943.682   12.743  351.107   3.5841  355.758   2.4023 -4.651520 4.314760 
1 1 1    7    7    3 o  115.903   1.7441  100.153   3.0140   95.360   5.9303  101.822   3.4997  113.080   3.5174  116.863   2.0085 -3.782516 4.050454 
1 1 1    7    7    4 f  129.563   2.0975  125.156   4.0519  120.915   8.9458  126.251   4.5449  127.317   4.7126  130.126   2.3425 -2.808929 5.262712 
1 1 1    7    7    5 o  341.349   2.0454  868.735   10.410  845.401   18.016  880.431   12.754  336.693   3.5888  343.629   2.4894 -6.936279 4.367665 
1 1 1    7    7    6 o  538.504   2.9745  2162.37   23.882  2196.35   38.600  2141.29   30.399  542.610   4.7712  535.830   3.8051 6.780090 6.102761 
1 1 1    7    7    7 o  210.880   2.0022  331.562   6.2952  342.829   11.512  326.755   7.5191  214.402   3.6011  209.339   2.4090 5.062317 4.332618 
1 1 1    7    7    8 o  116.286   2.4611  100.831   4.2671  103.478   7.9901   99.775   5.0471  117.768   4.5504  115.669   2.9265 2.098785 5.410265 
1 1 1    7    7    9 o  151.626   2.2364  171.436   5.0558  178.903   9.1418  168.145   6.0684  154.849   3.9596  150.154   2.7106 4.694595 4.798532 
1 1 1    7    7   10 o  280.125   2.3603  585.222   9.8579  615.328   23.599  578.859   10.850  286.977   5.5154  278.585   2.6121 8.392334 6.102727 
1 1 1    7    7   11 o  377.264   2.3881  1061.65   13.433  1083.53   24.146  1051.84   16.165  380.896   4.2518  375.467   2.8876 5.428253 5.139673 
1 1 1    7    7   12 o  122.503   2.8065  111.990   5.1260  103.142   8.5135  117.021   6.4202  117.444   4.8619  125.192   3.4395 -7.748055 5.955543 
1 1 1    7    7   13 o  162.317   2.3640  196.586   5.7211  200.212   10.310  194.973   6.8772  163.647   4.2253  161.616   2.8540 2.030533 5.098890 
1 1 1    7    7   14 f  148.800   2.5593  165.272   5.6780  170.184   10.230  163.085   6.8261  150.788   4.5502  147.768   3.0983 3.019730 5.504859 
1 1 1    7    7   15 o   74.593   3.8424   41.728   4.2588   39.534   7.8144   42.655   5.0795   72.017   7.3819   75.331   4.5438 -3.314102 8.668257 
1 1 1    7    7   16 o  138.369   2.5409  142.971   5.2421  156.005   11.573  139.607   5.8798  144.116   5.3862  136.698   2.8849 7.418213 6.110102 
1 1 1    7    7   17 o   98.878   3.2262   73.149   4.7563   81.394   14.259   72.117   5.0452  102.522   9.4343   98.153   3.4475 4.369476 10.04444 
1 1 1    7    7   18 o   22.425   8.3011   3.1194   3.6814   8.5295   7.0430   1.0855   4.3183   33.696   11.589   20.685   8.5662 13.01124 14.41124 
1 1 1    7    7   19 o   20.049   8.1714   1.4849   3.8493   2.4060   6.9003   1.0687   4.6381   26.013   10.805   21.029   8.8070 4.983105 13.93954 
1 1 1    7    7   20 o   36.579   9.4354   11.452   5.1797   0.0000   0.0000   11.452   5.1797  ?   ?    36.579   9.4354 0.000000 9.435363 
1 1 1    7    7   21 o   50.225   4.7531   19.700   3.5170   20.039   7.0791   19.589   4.0525   46.972   10.384   49.673   5.5677 -2.701004 11.78263 
1 1 1    7    8    0 o  835.575   6.6107  5209.05   82.346  5209.05   82.346  5209.05   82.346  835.575   6.6107  835.575   6.6107 0.000000 0.000000 
1 1 1    7    8    1 o  433.026   3.3474  1398.33   21.612  1360.36   25.809  1487.45   39.537  427.072   4.0532  446.454   5.9396 -19.38168 7.190760 
1 1 1    7    8    2 o  608.660   2.8931  2762.45   26.255  2736.27   45.883  2775.19   32.014  605.619   5.0814  610.028   3.5198 -4.408875 6.181377 
1 1 1    7    8    3 o  491.561   2.7012  1801.71   19.797  1765.76   44.569  1810.54   22.097  486.425   6.1454  492.753   3.0077 -6.328033 6.841901 
1 1 1    7    8    4 o   93.157   1.9953   64.702   2.7714   60.687   4.7336   66.796   3.4185   90.209   3.5194   94.650   2.4224 -4.440186 4.272491 
1 1 1    7    8    5 o  230.130   1.8522  394.849   6.3552  398.506   9.0848  391.346   8.8933  231.182   2.6357  229.096   2.6036 2.085587 3.704812 
1 1 1    7    8    6 o  188.549   2.1419  265.064   6.0212  260.437   7.8123  271.834   9.4501  186.886   2.8037  190.922   3.3198 -4.035645 4.345320 
1 1 1    7    8    7 o  283.691   1.8986  600.053   8.0307  593.939   12.320  604.569   10.590  282.217   2.9279  284.743   2.4943 -2.526489 3.846362 
1 1 1    7    8    8 o  145.045   2.0266  156.867   4.3826  162.100   6.8947  153.320   5.6771  147.425   3.1367  143.386   2.6555 4.038788 4.109834 
1 1 1    7    8    9 f  115.794   2.2396   99.989   3.8666   93.582   5.9284  104.732   5.1008  111.996   3.5503  118.496   2.8871 -6.500084 4.576031 
1 1 1    7    8   10 o  123.403   2.3990  113.581   4.4139  106.980   7.8853  116.593   5.3266  119.692   4.4186  125.016   2.8577 -5.323364 5.262143 
1 1 1    7    8   11 o  116.536   2.7060  101.327   4.7018   98.261   10.916  102.026   5.2099  114.359   6.4280  116.927   2.9885 -2.567947 7.088733 
1 1 1    7    8   12 o   80.181   3.2043   47.997   3.8306   44.217   7.3008   49.433   4.4998   76.519   6.4596   81.351   3.7099 -4.831902 7.449161 
1 1 1    7    8   13 o  186.091   2.3083  258.401   6.4044  267.547   11.666  254.455   7.6624  189.163   4.1362  184.626   2.7836 4.536346 4.985644 
1 1 1    7    8   14 o  106.297   3.6376   84.466   5.7651   81.225   12.095   85.419   6.5580  103.417   7.9041  106.853   4.1163 -3.436523 8.911773 
1 1 1    7    8   15 o  190.739   2.7108  271.696   7.7092  281.040   12.887  266.489   9.6203  193.700   4.4623  188.804   3.4175 4.895386 5.620642 
1 1 1    7    8   16 o  127.157   3.2509  120.898   6.1633  122.495   9.7234  119.825   7.9687  127.715   5.1063  126.462   4.2263 1.253593 6.628416 
1 1 1    7    8   17 o  211.926   2.3003  335.509   7.2683  336.181   15.132  335.307   8.2870  211.408   4.8006  211.796   2.6243 -0.3885651 5.471035 
1 1 1    7    8   18 o   14.762   6.9621  -4.2377   3.9880 -10.1992   10.715  -3.2790   4.2967   24.084   11.375   16.257   7.5193 7.827492 13.63530 
1 1 1    7    8   19 o   48.881   5.1630   18.444   3.7058   0.6651   6.7067   26.259   4.4463   23.990   10.336   58.413   5.1583 -34.42231 11.55127 
1 1 1    7    8   20 o   58.864   4.8761   26.823   4.2410   33.835   7.0560   22.857   5.3064   64.659   7.4556   53.372   6.8247 11.28759 10.10756 
1 1 1    7    9    0 o  145.434   5.6007  158.444   12.104  158.444   12.104  158.444   12.104  145.434   5.6007  145.434   5.6007 0.000000 0.000000 
1 1 1    7    9    1 o  194.824   3.5902  283.066   10.429  274.088   14.332  293.169   15.204  191.676   5.0149  198.232   5.1440 -6.555847 7.184034 
1 1 1    7    9    2 o  294.264   2.6822  645.662   11.768   0.0000   0.0000  645.662   11.768  ?   ?   294.264   2.6822 0.000000 2.682177 
1 1 1    7    9    3 o  350.124   2.2352  914.001   11.668  911.554   27.342  914.546   12.902  349.541   5.2463  350.223   2.4708 -0.6815796 5.799066 
1 1 1    7    9    4 o  317.813   3.1542  753.202   14.946   0.0000   0.0000  753.202   14.946  ?   ?   317.813   3.1542 0.000000 3.154205 
1 1 1    7    9    5 o  276.901   1.9619  571.667   8.1000  576.588   11.547  566.898   11.366  278.074   2.7850  275.728   2.7647 2.346130 3.924239 
1 1 1    7    9    6 o  387.723   2.4629  1120.93   14.237  1103.34   18.235  1148.38   22.787  384.642   3.1796  392.378   3.8951 -7.735840 5.028046 
1 1 1    7    9    7 o  334.235   2.1490  832.973   10.709  825.965   15.280  839.741   15.015  332.791   3.0795  335.558   3.0011 -2.767212 4.299922 
1 1 1    7    9    8 o  221.144   2.0461  364.665   6.7466  371.903   9.8562  358.285   9.2543  223.299   2.9604  219.177   2.8319 4.121780 4.096807 
1 1 1    7    9    9 o  187.672   2.2771  262.668   6.3716  268.203   10.282  259.218   8.1182  189.581   3.6376  186.412   2.9209 3.169464 4.665180 
1 1 1    7    9   10 o  131.471   2.3287  128.926   4.5648  125.826   7.9965  130.425   5.5597  129.805   4.1318  132.217   2.8203 -2.412003 5.002573 
1 1 1    7    9   11 o  149.010   2.1250  165.624   4.7211  167.150   7.4225  164.588   6.1181  149.631   3.3270  148.513   2.7630 1.118271 4.324757 
1 1 1    7    9   12 o   75.545   3.2649   42.617   3.6775   39.033   5.3749   45.772   5.0425   72.041   5.0357   78.121   4.3464 -6.079872 6.652030 
1 1 1    7    9   13 o  114.073   2.6927   97.141   4.5797   93.700   8.2758   98.660   5.4984  111.849   4.9626  114.928   3.2088 -3.078804 5.909595 
1 1 1    7    9   14 o  160.445   2.4755  192.172   5.9218  180.025   10.514  197.816   7.1667  155.038   4.5483  162.736   2.9537 -7.698486 5.423226 
1 1 1    7    9   15 o  105.542   3.1194   83.246   4.9087   69.953   8.9176   89.025   5.8796   96.195   6.2515  109.098   3.6146 -12.90266 7.221281 
1 1 1    7    9   16 o   61.055   4.8081   28.161   4.3415   30.620   8.3257   27.242   5.0880   62.657   9.1848   59.871   5.7713 2.786438 10.84751 
1 1 1    7    9   17 o  145.394   2.9306  158.194   6.3530  148.261   11.220  162.881   7.7076  140.129   5.3701  147.412   3.5069 -7.282516 6.413718 
1 1 1    7    9   18 f  115.766   2.9127  100.495   5.0275  111.079   10.160   97.063   5.7854  120.743   5.6436  113.648   3.4143 7.095039 6.596027 
1 1 1    7    9   19 o   61.175   4.3032   28.577   3.9000   42.441   8.0985   24.391   4.4499   72.962   7.5539   56.111   5.3852 16.85130 9.276934 
1 1 1    7    9   20 o   41.923   5.9755   14.029   3.6293   16.470   6.7060   13.019   4.3160   42.811   10.569   39.594   7.5873 3.217537 13.01075 
1 1 1    7   10    0 o  267.822   3.6607  535.128   14.611  535.128   14.611  535.128   14.611  267.822   3.6607  267.822   3.6607 0.000000 0.000000 
1 1 1    7   10    1 o  561.938   2.7542  2354.59   23.076  2325.68   32.124  2385.43   33.169  558.416   3.8583  565.539   3.9337 -7.122925 5.510015 
1 1 1    7   10    2 o  354.591   2.0031  937.450   10.590  963.896   18.839  925.232   12.805  359.512   3.5145  352.262   2.4380 7.250061 4.277320 
1 1 1    7   10    3 o  615.249   3.2300  2822.77   29.629  2954.88   71.004  2794.92   32.603  629.047   7.5706  612.185   3.5720 16.86200 8.370986 
1 1 1    7   10    4 o  322.655   1.8759  776.188   9.0246  785.475   14.075  769.705   11.760  324.553   2.9088  321.291   2.4549 3.261627 3.806232 
1 1 1    7   10    5 o   71.360   3.1023   37.975   3.3007   38.739   4.5232   37.106   4.8274   71.938   4.2358   70.372   4.6268 1.566284 6.272871 
1 1 1    7   10    6 o  403.481   2.3234  1213.91   13.977  1227.52   19.954  1200.79   19.585  405.691   3.2988  401.250   3.2737 4.440826 4.647485 
1 1 1    7   10    7 o   48.967   4.0417   18.013   2.9244   15.006   4.6509   19.979   3.7610   44.222   7.3093   51.498   4.9596 -7.275826 8.833105 
1 1 1    7   10    8 o  263.953   1.9212  519.523   7.5607  533.299   11.895  510.186   9.7934  267.382   2.9839  261.547   2.5114 5.834747 3.900067 
1 1 1    7   10    9 o  143.130   2.0711  152.781   4.4198  147.121   6.7437  157.042   5.8517  140.415   3.2212  145.092   2.7050 -4.677353 4.206322 
1 1 1    7   10   10 o  197.070   1.9646  289.654   5.7726  293.518   8.9611  286.914   7.5472  198.318   3.0306  196.103   2.5813 2.214493 3.980881 
1 1 1    7   10   11 o  166.740   2.2070  207.409   5.4867  208.455   8.0052  206.482   7.5349  167.093   3.2132  166.314   3.0386 0.7793884 4.422444 
1 1 1    7   10   12 o  158.798   2.3138  188.164   5.4783  199.077   8.0369  178.692   7.4874  163.258   3.3017  154.679   3.2466 8.579239 4.630531 
1 1 1    7   10   13 o   88.232   2.9347   58.140   3.8607   58.281   6.0984   58.046   4.9874   88.096   4.6594   88.107   3.7966 -0.1090240E-01 6.010354 
1 1 1    7   10   14 o   25.121   8.3050   4.5678   3.6178   8.0017   6.8554   3.2424   4.2591   33.459   11.436   23.757   8.9019 9.702297 14.49223 
1 1 1    7   10   15 o  102.541   3.3918   78.634   5.1856   61.661   8.2766   89.602   6.6534   90.267   6.1871  109.382   4.0797 -19.11532 7.411046 
1 1 1    7   10   16 o  143.387   2.8587  153.715   6.1115  167.891   11.186  147.682   7.2969  149.403   5.0216  140.446   3.4846 8.957169 6.112173 
1 1 1    7   10   17 o   84.079   3.8849   53.111   4.8702   51.524   8.9570   53.777   5.8029   81.671   7.4372   84.345   4.6322 -2.673981 8.761769 
1 1 1    7   10   18 o   84.062   3.4784   53.194   4.3596   44.753   8.4206   56.286   5.0958   75.416   7.5919   86.347   3.9582 -10.93053 8.561811 
1 1 1    7   10   19 o   33.272   8.1264   9.2237   3.9966   8.2964   7.3997   9.6056   4.7488   32.158   11.792   33.641   9.2020 -1.482796 14.95731 
1 1 1    7   10   20 o   42.047   6.3253   14.308   3.8426   17.493   6.9584   12.910   4.6092   43.638   10.762   38.904   8.2045 4.734829 13.53280 
1 1 1    7   11    0 o  131.256   7.4339  129.770   14.441  129.770   14.441  129.770   14.441  131.256   7.4339  131.256   7.4339 0.000000 0.000000 
1 1 1    7   11    1 o  557.940   2.9715  2321.30   24.719  2359.11   39.878  2297.70   31.501  562.348   4.7562  555.049   3.8065 7.299255 6.091853 
1 1 1    7   11    2 o  163.425   1.6841  199.120   4.1035  192.015   7.1802  202.566   5.0006  160.467   3.0011  164.830   2.0348 -4.362518 3.625861 
1 1 1    7   11    3 o  291.946   1.9832  635.486   8.6325  649.850   16.047  629.636   10.241  295.178   3.6462  290.591   2.3636 4.587402 4.345238 
1 1 1    7   11    4 o  209.683   1.8250  327.811   5.7055  331.439   8.5650  324.916   7.6500  210.824   2.7248  208.745   2.4580 2.079254 3.669636 
1 1 1    7   11    5 o   68.989   3.1477   35.497   3.2377   28.915   4.4449   42.936   4.7257   62.060   4.8421   75.745   4.2009 -13.68549 6.410392 
1 1 1    7   11    6 o  273.632   2.0531  558.304   8.3763  555.314   11.785  561.358   11.908  272.868   2.8967  274.348   2.9111 -1.480316 4.106776 
1 1 1    7   11    7 o  106.334   2.2843   84.321   3.6215   88.672   5.6629   81.310   4.7108  109.018   3.4839  104.405   3.0262 4.613197 4.614747 
1 1 1    7   11    8 o  365.035   2.2526  993.796   12.260  989.630   21.204  995.888   15.026  364.111   3.9059  365.380   2.7582 -1.268494 4.781582 
1 1 1    7   11    9 o  202.833   1.9390  306.828   5.8638  326.804   9.3297  293.785   7.5389  209.272   2.9901  198.445   2.5480 10.82680 3.928468 
1 1 1    7   11   10 o  133.365   2.1521  132.679   4.2794  136.985   6.7606  129.801   5.5279  135.451   3.3476  131.881   2.8113 3.569748 4.371451 
1 1 1    7   11   11 o   81.958   2.7426   50.137   3.3514   49.894   5.2069   50.309   4.3790   81.574   4.2963   82.063   3.5790 -0.4884644 5.591733 
1 1 1    7   11   12 o  176.145   2.1216  231.508   5.5718  237.525   8.7583  227.417   7.2216  178.309   3.2944  174.528   2.7752 3.781723 4.307563 
1 1 1    7   11   13 o   48.382   4.8419   17.717   3.4459   25.806   6.3555   14.349   4.1010   57.992   7.5279   43.180   6.5777 14.81216 9.996800 
1 1 1    7   11   14 f  106.522   3.0135   84.790   4.7861   85.251   8.8413   84.599   5.6923  106.362   5.5949  106.349   3.5899 0.1221466E-01 6.647549 
1 1 1    7   11   15 o   20.635   8.4926   1.0923   4.2089  -2.4204   6.9801   3.0992   5.2759   22.769   10.149   25.105   9.7818 -2.336119 14.09569 
1 1 1    7   11   16 o   22.028   8.8845   1.8105   4.4966   5.3400   7.7985   0.0526   5.5037   30.883   11.932   21.981   9.4141 8.902193 15.19830 
1 1 1    7   11   17 o  184.213   2.6578  254.063   7.2998  250.971   13.093  255.458   8.7934  182.199   4.8197  184.542   3.1959 -2.342682 5.783024 
1 1 1    7   11   18 o  116.924   3.3679  103.010   5.8712  118.596   14.836  100.116   6.3931  122.089   8.1978  115.134   3.7243 6.954697 9.004155 
1 1 1    7   11   19 o  104.072   3.2299   81.883   5.0119   62.400   8.2434   93.307   6.3126   88.982   6.2532  110.787   3.8216 -21.80559 7.328535 
1 1 1    7   11   20 o   37.471   6.3806   11.514   3.4370   20.797   6.7947   8.3223   3.9844   48.063   9.8136   30.831   8.4270 17.23208 12.93526 
1 1 1    7   12    0 o  417.938   4.3375  1303.00   27.022  1303.00   27.022  1303.00   27.022  417.938   4.3375  417.938   4.3375 0.000000 0.000000 
1 1 1    7   12    1 o  365.258   2.1705  994.758   11.820  1021.28   16.949  969.641   16.494  370.062   3.0718  360.585   3.0680 9.476532 4.341435 
1 1 1    7   12    2 o  196.600   1.7127  288.177   5.0204  291.222   7.8887  286.104   6.5085  197.620   2.6773  195.884   2.2285 1.735733 3.483431 
1 1 1    7   12    3 o  125.226   1.8846  116.921   3.5187  124.551   5.7878  112.448   4.4317  129.232   3.0038  122.801   2.4205 6.430992 3.857656 
1 1 1    7   12    4 o  235.807   1.7714  414.588   6.2278  430.957   9.9074  403.894   8.0076  240.391   2.7642  232.734   2.3077 7.657730 3.600852 
1 1 1    7   12    5 o  127.924   2.3508  122.032   4.4837  121.774   5.8944  122.387   6.9072  127.774   3.0941  128.083   3.6169 -0.3087006 4.759772 
1 1 1    7   12    6 o  101.399   2.7326   76.688   4.1312   73.000   5.4027   81.880   6.4106   98.911   3.6635  104.743   4.1049 -5.831665 5.501946 
1 1 1    7   12    7 o  264.084   2.0176  520.081   7.9441  546.153   14.255  508.337   9.5674  270.528   3.5342  261.064   2.4580 9.463715 4.304919 
1 1 1    7   12    8 o   17.528   6.8756   1.3315   2.6202   2.1586   4.0345   0.7282   3.4457   21.879   8.5459   18.587   7.6709 3.292360 11.48368 
1 1 1    7   12    9 o  234.234   2.1003  409.251   7.3351  395.876   12.705  415.939   8.9836  230.235   3.7010  236.108   2.5519 -5.872482 4.495544 
1 1 1    7   12   10 o  208.913   2.1306  325.597   6.6365  330.864   9.6039  320.783   9.1812  210.516   3.0598  207.293   2.9706 3.223099 4.264575 
1 1 1    7   12   11 o  124.702   2.2586  116.037   4.1994  120.233   6.7129  113.340   5.3827  126.848   3.5494  123.204   2.9302 3.644363 4.602652 
1 1 1    7   12   12 o  141.194   2.2489  148.783   4.7343  149.836   7.4707  148.076   6.1202  141.577   3.5392  140.805   2.9152 0.7718201 4.585221 
1 1 1    7   12   13 o  136.850   2.4143  139.821   4.9262  138.215   7.7457  140.912   6.3836  135.912   3.8224  137.316   3.1180 -1.403732 4.932760 
1 1 1    7   12   14 o  143.691   2.6386  154.224   5.6529  172.040   10.452  146.859   6.7206  151.456   4.6287  140.152   3.2162 11.30453 5.636322 
1 1 1    7   12   15 o   89.120   3.3447   59.438   4.4443   55.850   6.9730   61.893   5.7675   85.942   5.4703   90.832   4.2587 -4.890434 6.932586 
1 1 1    7   12   16 o   30.819   9.2806   7.4713   4.6149   9.2998   7.6291   6.4163   5.7954   35.146   12.063   29.957   10.501 5.189810 15.99304 
1 1 1    7   12   17 o   26.911   9.0323   5.4871   4.2757  -8.5368   8.3175   10.524   4.9848   20.963   9.9367   35.806   9.2660 -14.84241 13.58665 
1 1 1    7   12   18 o   61.736   5.0537   29.391   4.6110   60.299   12.263   24.302   4.9761   85.112   9.8456   55.675   6.0941 29.43678 11.57904 
1 1 1    7   12   19 o   52.207   5.3316   21.399   4.0918   20.599   7.0211   21.810   5.0353   48.299   10.076   52.011   6.6451 -3.712585 12.06980 
1 1 1    7   13    0 o  122.050   2.6602  111.223   4.8356  111.223   4.8356  111.223   4.8356  122.050   2.6602  122.050   2.6602 0.000000 0.000000 
1 1 1    7   13    1 o  154.061   1.8296  176.967   4.2025  184.302   6.1912  170.699   5.7229  157.208   2.6414  151.297   2.5370 5.911240 3.662408 
1 1 1    7   13    2 o  142.889   1.7377  152.230   3.7021  151.353   6.0364  152.759   4.6871  142.459   2.8420  143.130   2.1964 -0.6711578 3.591755 
1 1 1    7   13    3 o  226.867   1.7428  383.756   5.8950  384.003   9.2818  383.589   7.6318  226.913   2.7435  226.806   2.2569 0.1078949 3.552474 
1 1 1    7   13    4 o  267.595   1.8229  533.927   7.2729  537.051   11.295  531.715   9.5056  268.338   2.8232  267.020   2.3876 1.317902 3.697460 
1 1 1    7   13    5 o  172.862   2.0667  222.828   5.3265  228.568   7.4645  216.873   7.6029  175.050   2.8600  170.508   2.9907 4.541992 4.138085 
1 1 1    7   13    6 o  209.286   2.1830  326.661   6.8118  331.222   10.462  323.306   8.9745  210.686   3.3306  208.177   2.8914 2.508652 4.410598 
1 1 1    7   13    7 o  253.120   2.0617  477.843   7.7807  478.202   14.039  477.684   9.3476  253.089   3.7204  253.053   2.4775 0.3575134E-01 4.469882 
1 1 1    7   13    8 o  104.474   2.2922   81.423   3.5705   84.053   5.6320   79.656   4.6169  106.097   3.5603  103.310   2.9974 2.787666 4.654042 
1 1 1    7   13    9 o   79.713   4.4706   47.663   5.2919   0.0000   0.0000   47.663   5.2919  ?   ?    79.713   4.4706 0.000000 4.470610 
1 1 1    7   13   10 o   61.185   3.4453   28.056   3.1302   29.816   4.8176   26.770   4.1179   62.880   5.1849   59.627   4.6692 3.252983 6.977388 
1 1 1    7   13   11 f   80.193   2.8954   48.026   3.4620   47.909   5.4765   48.105   4.4679   79.855   4.6195   80.212   3.7359 -0.3569183 5.941097 
1 1 1    7   13   12 o  128.651   2.5161  123.576   4.8262  127.150   8.5512  121.906   5.8464  130.290   4.4019  127.730   3.0699 2.560043 5.366693 
1 1 1    7   13   13 o  197.732   2.3792  291.924   7.0142  293.530   10.227  290.499   9.6379  198.104   3.4626  197.112   3.2795 0.9920959 4.769095 
1 1 1    7   13   14 o   89.217   3.1560   59.523   4.1980   66.102   6.7494   55.372   5.3613   93.697   4.8480   85.948   4.1837 7.749054 6.403607 
1 1 1    7   13   15 o  130.450   2.6754  127.229   5.2035  129.770   8.2456  125.547   6.7079  131.467   4.2067  129.456   3.4753 2.010635 5.456546 
1 1 1    7   13   16 o   37.839   6.9210   11.285   3.7607   17.692   5.9127   6.9324   4.8736   47.017   8.7569   29.909   9.6233 17.10788 13.01118 
1 1 1    7   13   17 o   84.454   3.3601   53.703   4.2310   60.228   8.7153   51.691   4.8396   87.930   6.6982   82.708   3.9245 5.221489 7.763206 
1 1 1    7   13   18 o   60.073   4.8115   27.863   4.2734   31.169   7.7226   26.405   5.1304   61.328   8.6887   57.908   6.0307 3.420219 10.57651 
1 1 1    7   13   19 o   47.669   5.5586   18.068   3.8765   12.690   6.3467   21.267   4.8959   36.864   10.832   51.164   6.5697 -14.30023 12.66816 
1 1 1    7   14    0 o  487.362   3.6111  1771.60   26.237  1771.60   26.237  1771.60   26.237  487.362   3.6111  487.362   3.6111 0.000000 0.000000 
1 1 1    7   14    1 o  218.933   1.8768  357.402   6.1265  362.086   8.7722  352.941   8.5600  220.339   2.6702  217.540   2.6392 2.799133 3.754348 
1 1 1    7   14    2 o  310.065   1.9737  716.891   9.1243  711.905   13.359  721.252   12.492  308.940   2.9001  310.973   2.6943 -2.033020 3.958542 
1 1 1    7   14    3 o  370.326   2.0238  1022.66   11.174  1039.14   17.507  1011.33   14.515  373.222   3.1461  368.232   2.6439 4.990479 4.109467 
1 1 1    7   14    4 o  100.128   2.1135   74.765   3.1552   84.267   5.2394   69.359   3.9521  106.273   3.3067   96.428   2.7489 9.844635 4.300055 
1 1 1    7   14    5 o  283.202   2.1424  598.155   9.0462  599.588   14.405  597.222   11.624  283.450   3.4086  282.942   2.7554 0.5078430 4.383028 
1 1 1    7   14    6 o   34.972   6.2708   9.4325   3.1497   5.8855   4.2211   13.888   4.7310   28.216   8.9431   42.369   7.7757 -14.15280 11.85075 
1 1 1    7   14    7 o  183.833   2.0522  252.072   5.6248  259.973   10.467  248.863   6.6698  186.572   3.7626  182.638   2.4494 3.933517 4.489607 
1 1 1    7   14    8 o   53.723   3.6276   21.657   2.8887   21.383   4.4757   21.853   3.7818   53.118   5.7427   53.840   4.7602 -0.7226334 7.459108 
1 1 1    7   14    9 o   98.363   2.6660   72.218   3.9099   74.903   5.4387   69.346   5.6248  100.120   3.6434   96.317   3.9169 3.803215 5.349382 
1 1 1    7   14   10 o   64.484   3.5853   31.176   3.4335   25.223   4.8279   37.269   4.8839   57.702   5.6856   70.394   4.6800 -12.69165 7.363961 
1 1 1    7   14   11 o  147.467   2.3642  162.334   5.1982  155.544   7.4785  168.681   7.2306  144.238   3.4775  150.236   3.2280 -5.997757 4.744755 
1 1 1    7   14   12 o   88.357   2.8801   58.331   3.7942   54.980   6.0583   60.494   4.8668   85.483   4.7724   89.921   3.6301 -4.438133 5.996105 
1 1 1    7   14   13 o   64.926   4.2163   31.724   4.0595   23.098   5.8149   39.925   5.6698   54.768   7.3030   72.694   5.2668 -17.92634 9.004078 
1 1 1    7   14   14 o   43.003   6.5128   14.296   4.0450   5.3842   6.0615   21.452   5.4314   29.029   10.668   52.722   7.0892 -23.69364 12.80873 
1 1 1    7   14   15 o   67.617   4.3773   34.540   4.3893   33.918   8.4769   34.768   5.1307   65.683   8.8839   67.677   5.1226 -1.994644 10.25500 
1 1 1    7   14   16 o  118.144   2.8991  104.675   5.1067  110.678   8.8903  101.719   6.2386  120.807   4.9358  116.277   3.5985 4.529671 6.108259 
1 1 1    7   14   17 o   21.471   8.2400   2.7548   3.7014   9.1756   6.6299  -0.1527   4.4614   33.220   11.247   19.184   8.3468 14.03607 14.00566 
1 1 1    7   14   18 o   56.505   4.6554   24.722   3.8872   31.658   7.3717   22.050   4.5749   61.756   8.2095   52.745   5.9197 9.011368 10.12117 
1 1 1    7   14   19 o   77.466   3.5450   45.898   4.0945   36.070   6.8537   51.352   5.1057   65.969   7.0787   81.415   4.2206 -15.44597 8.241461 
1 1 1    7   15    0 o  136.226   2.6790  138.538   5.4366  138.538   5.4366  138.538   5.4366  136.226   2.6790  136.226   2.6790 0.000000 0.000000 
1 1 1    7   15    1 o  156.250   1.8652  182.054   4.3453  175.311   6.1718  188.682   6.1190  153.305   2.7001  159.048   2.5804 -5.742935 3.734837 
1 1 1    7   15    2 o  335.295   1.9456  838.364   9.7265  837.753   14.960  838.811   12.802  335.100   2.9942  335.345   2.5604 -0.2455444 3.939634 
1 1 1    7   15    3 o  303.995   2.2584  689.248   10.236  717.275   15.906  669.436   13.374  310.019   3.4411  299.541   2.9945 10.47751 4.561636 
1 1 1    7   15    4 o  327.501   2.2316  799.995   10.897  797.094   17.170  801.952   14.100  326.783   3.5240  327.846   2.8846 -1.062897 4.554102 
1 1 1    7   15    5 o  149.043   2.0017  165.680   4.4481  164.518   6.5905  166.652   6.0282  148.478   2.9771  149.451   2.7053 -0.9733429 4.022642 
1 1 1    7   15    6 o   63.310   3.0358   29.918   2.8656   33.731   4.5585   27.426   3.6847   67.014   4.5899   60.446   4.1129 6.568424 6.163095 
1 1 1    7   15    7 o   42.325   4.8101   13.574   2.9815   12.669   5.5821   13.936   3.5268   40.152   9.4768   42.760   5.6719 -2.607841 11.04447 
1 1 1    7   15    8 o  125.878   2.3029  118.237   4.3221  108.130   7.2734  123.753   5.3738  120.258   4.0565  128.752   2.7994 -8.493843 4.928642 
1 1 1    7   15    9 o  131.100   2.3550  128.274   4.6033  132.682   6.4525  123.706   6.5692  133.265   3.2474  128.663   3.4244 4.602417 4.719380 
1 1 1    7   15   10 o  125.102   2.4585  116.839   4.5856  105.938   6.4235  128.169   6.5484  119.024   3.6196  130.947   3.3540 -11.92305 4.934711 
1 1 1    7   15   11 o   49.541   5.6986   18.693   4.1326   21.284   8.3837   17.861   4.7497   51.633   11.212   48.194   6.7990 3.439102 13.11205 
1 1 1    7   15   12 o   52.169   4.4255   20.552   3.4098   23.063   5.5518   19.030   4.3208   54.810   6.9498   49.926   5.9198 4.883911 9.129239 
1 1 1    7   15   13 o   66.449   4.2249   33.247   4.1640   33.502   5.9041   32.994   5.8737   66.367   6.0325   65.855   6.0498 0.5128326 8.543475 
1 1 1    7   15   14 f  103.702   3.2215   80.526   4.9809   76.387   7.1999   84.325   6.8980  100.732   4.7939  105.925   4.3677 -5.192200 6.485229 
1 1 1    7   15   15 o   32.805   8.2035   8.6569   4.0020   10.139   7.6722   8.1029   4.6907   35.957   12.099   31.803   9.3025 4.154186 15.26174 
1 1 1    7   15   16 o   43.832   5.7187   14.960   3.6482   15.195   5.7373   14.801   4.7269   42.850   9.2511   42.902   7.6713 -0.5196381E-01 12.01799 
1 1 1    7   15   17 o   20.651   7.7642   2.7610   3.2454   2.9842   4.9656   2.5946   4.2879   23.431   9.3764   21.966   8.7383 1.465687 12.81697 
1 1 1    7   15   18 o   53.265   4.5489   22.058   3.5780   22.909   6.9507   21.751   4.1734   51.067   9.4780   52.450   5.4146 -1.382889 10.91558 
1 1 1    7   16    0 o  371.992   3.6325  1032.50   20.143  1032.50   20.143  1032.50   20.143  371.992   3.6325  371.992   3.6325 0.000000 0.000000 
1 1 1    7   16    1 o  228.192   2.1250  388.372   7.2297  389.092   10.353  387.685   10.100  228.346   3.0410  227.938   2.9719 0.4082184 4.252040 
1 1 1    7   16    2 o   99.006   2.3167   73.117   3.4199   73.299   7.7289   73.073   3.8135   98.868   5.2621   98.969   2.5844 -0.1007767 5.862483 
1 1 1    7   16    3 f   91.001   2.6054   61.785   3.5350   62.760   4.6876   60.500   5.3826   91.689   3.4289   89.999   4.0113 1.689819 5.277140 
1 1 1    7   16    4 o  158.735   1.9244  187.930   4.5545  186.497   6.8335  189.076   6.1092  158.079   2.8993  159.187   2.5740 -1.108047 3.877039 
1 1 1    7   16    5 o  148.499   1.9153  164.484   4.2407  169.540   6.6606  161.038   5.4993  150.707   2.9642  146.907   2.5107 3.800095 3.884602 
1 1 1    7   16    6 o  209.167   1.8735  326.346   5.8428  338.030   9.2582  318.612   7.5322  212.790   2.9181  206.631   2.4449 6.158875 3.806970 
1 1 1    7   16    7 o  149.038   2.3395  165.758   5.1986  167.038   9.0775  165.133   6.3415  149.458   4.0736  148.719   2.8599 0.7384796 4.977269 
1 1 1    7   16    8 o  183.099   2.1025  250.159   5.7399  257.962   10.125  246.464   6.9676  185.759   3.6559  181.700   2.5719 4.058884 4.469906 
1 1 1    7   16    9 f  114.541   2.5647   97.958   4.3799  105.337   6.1709   90.467   6.2177  118.698   3.4868  109.972   3.7921 8.725670 5.151477 
1 1 1    7   16   10 o  113.001   2.7961   95.394   4.7108   99.701   7.4268   92.494   6.0935  115.355   4.3181  111.184   3.6758 4.171005 5.670790 
1 1 1    7   16   11 o   39.811   5.9653   12.196   3.4317   5.9194   6.3760   14.756   4.0718   30.174   10.964   43.772   6.4308 -13.59861 12.71049 
1 1 1    7   16   12 o   92.613   2.9580   64.126   4.0844   68.554   6.4374   61.141   5.2843   95.575   4.5175   90.334   3.9235 5.241135 5.983409 
1 1 1    7   16   13 o   94.595   3.6747   67.063   5.1827   72.873   8.2679   63.302   6.6518   98.091   5.6775   91.592   4.8886 6.499550 7.492197 
1 1 1    7   16   14 o   56.182   5.1064   24.038   4.2307   31.785   6.2282   17.401   5.7650   64.260   6.5940   46.764   8.5846 17.49554 10.82484 
1 1 1    7   16   15 o   53.350   5.5541   21.920   4.3532  -1.1354   10.028   27.274   4.8323   27.642   12.251   59.585   5.5015 -31.94291 13.42996 
1 1 1    7   16   16 o  110.182   2.7966   91.279   4.5942   90.072   7.0731   92.160   6.0424  108.789   4.3607  110.372   3.6718 -1.582993 5.700646 
1 1 1    7   16   17 o   37.712   6.7677   11.614   3.6654   12.578   5.2009   10.663   5.1667   37.994   9.2645   34.803   9.6308 3.191620 13.36348 
1 1 1    7   16   18 o   24.694   8.0326   5.1733   3.3894   0.6720   6.5533   6.8172   3.9603   22.397   9.9166   27.822   8.6400 -5.425091 13.15247 
1 1 1    7   17    0 o  190.915   2.6965  271.996   7.6722  271.996   7.6722  271.996   7.6722  190.915   2.6965  190.915   2.6965 0.000000 0.000000 
1 1 1    7   17    1 o  231.865   1.9319  400.991   6.6787  401.153   9.5123  400.833   9.3793  231.850   2.7517  231.761   2.7143 0.8937073E-01 3.865169 
1 1 1    7   17    2 o  213.332   2.1169  339.493   6.7334  342.815   12.859  338.239   7.9035  214.192   4.0266  212.911   2.4897 1.281525 4.734192 
1 1 1    7   17    3 o   66.301   3.3055   32.825   3.2676   36.831   4.3297   27.525   4.9804   70.073   4.1629   60.364   5.5974 9.708817 6.975704 
1 1 1    7   17    4 o  229.625   2.0555  393.352   7.0372  390.754   9.6365  396.320   10.301  228.794   2.8249  230.399   2.9987 -1.604538 4.119723 
1 1 1    7   17    5 o  129.129   2.0620  124.401   3.9700  123.278   5.9121  125.323   5.3575  128.484   3.0862  129.567   2.7733 -1.082581 4.149199 
1 1 1    7   17    6 o  112.981   2.1572   95.247   3.6338   97.296   5.6642   93.815   4.7371  114.117   3.3290  112.091   2.8344 2.026329 4.372241 
1 1 1    7   17    7 o   66.458   3.0033   32.990   2.9759   37.078   4.6045   30.058   3.8998   70.237   4.4195   63.243   4.1590 6.993107 6.068706 
1 1 1    7   17    8 o  112.867   2.3212   95.092   3.9061   87.898   5.8971  100.716   5.2140  108.408   3.6484  116.104   3.0120 -7.696144 4.731085 
1 1 1    7   17    9 o   50.935   3.9945   19.544   3.0092   16.918   4.7000   21.367   3.9174   46.842   6.9396   53.124   5.0048 -6.281288 8.556033 
1 1 1    7   17   10 o   19.792   7.5755   2.0502   3.1233   7.6614   4.4662  -3.3206   4.3695   31.315   9.0534   16.546   7.6284 14.76914 11.83883 
1 1 1    7   17   11 o  134.648   2.5790  135.455   5.1775  141.765   9.5403  132.821   6.1643  137.408   4.6567  133.267   3.1023 4.140991 5.595462 
1 1 1    7   17   12 o  111.735   2.8617   93.361   4.7674   95.090   7.1465   91.974   6.3995  112.553   4.2586  110.759   3.8752 1.794220 5.757861 
1 1 1    7   17   13 o   25.134   8.5368   4.5675   3.8200  -2.4609   7.1234   7.4044   4.5257   22.785   10.198   30.671   9.1802 -7.886063 13.72102 
1 1 1    7   17   14 f  101.624   3.2860   77.531   4.9789   80.847   7.3611   74.734   6.7598  103.374   4.7760   99.454   4.5587 3.919640 6.602435 
1 1 1    7   17   15 o   67.666   4.6689   34.992   4.6816   26.404   7.4025   40.717   6.0438   56.816   9.0414   72.625   5.6254 -15.80901 10.64854 
1 1 1    7   17   16 o   10.214   5.1097  -8.6270   3.2596 -13.9950   5.1819  -5.1121   4.1931   12.641   6.3409   14.393   6.8871 -1.751600 9.361608 
1 1 1    7   17   17 o   74.161   3.8830   42.231   4.2786   45.082   7.1768   40.660   5.3291   74.718   6.5071   72.087   4.9890 2.631653 8.199553 
1 1 1    7   18    0 o   10.366   6.7636  -0.2877   2.5533  -0.2877   2.5533  -0.2877   2.5533   10.366   6.7636   10.366   6.7636 0.000000 0.000000 
1 1 1    7   18    1 o   87.349   2.2720   56.931   2.9589   54.096   4.3060   59.468   4.0728   85.099   3.3937   89.241   3.0610 -4.141800 4.570214 
1 1 1    7   18    2 o  146.965   1.8878  161.119   4.1365  165.223   6.3849  158.150   5.4302  148.762   2.8787  145.570   2.5019 3.192200 3.813960 
1 1 1    7   18    3 o  231.131   2.2201  398.622   7.6508  390.629   9.6375  412.246   12.581  228.736   2.8259  234.871   3.5928 -6.135101 4.570980 
1 1 1    7   18    4 o   72.529   3.7319   39.429   4.0219   37.756   4.2960   51.297   11.443   70.931   4.0794   81.678   9.5785 -10.74651 10.41096 
1 1 1    7   18    5 o   60.461   3.0095   27.305   2.7129   26.853   4.3732   27.587   3.4590   59.657   4.9616   60.615   3.8473 -0.9580688 6.278471 
1 1 1    7   18    6 o   38.422   4.6083   11.216   2.5873   16.043   4.3177   8.5126   3.2318   45.717   6.5192   33.023   6.7905 12.69366 9.413338 
1 1 1    7   18    7 o  141.911   2.1999  150.320   4.6547  146.118   8.0803  152.406   5.6945  139.730   3.8786  142.850   2.6736 -3.120468 4.710794 
1 1 1    7   18    8 o   51.806   3.8506   20.202   2.9530   21.726   4.5698   19.110   3.8693   53.417   5.8327   50.166   5.2510 3.250751 7.848132 
1 1 1    7   18    9 o   79.187   3.2594   46.903   3.8482   36.164   5.2580   59.290   5.6473   69.177   5.1345   88.928   4.2592 -19.75036 6.671160 
1 1 1    7   18   10 o  240.556   2.4913  432.301   8.9352  447.974   11.862  411.743   13.585  244.697   3.2513  234.413   3.8870 10.28362 5.067498 
1 1 1    7   18   11 o   20.210   7.9606   1.8345   3.5260   3.0945   6.6035   1.3320   4.1703   27.004   10.810   20.808   8.4958 6.195393 13.74925 
1 1 1    7   18   12 o   96.376   3.0304   69.534   4.3546   70.389   6.9243   68.974   5.6007   96.662   4.8045   95.853   3.9189 0.8089066 6.200087 
1 1 1    7   18   13 o   21.341   8.0488   2.6787   3.4932  -2.3402   5.4104   6.2666   4.5745   19.497   8.7930   28.592   9.3333 -9.094990 12.82293 
1 1 1    7   18   14 o  101.306   3.5174   77.300   5.3129   83.979   8.7544   73.406   6.6846  104.617   5.6332   98.379   4.5572 6.237701 7.245792 
1 1 1    7   18   15 o   24.244   8.1847   4.5598   3.5111   2.6016   5.3550   6.0364   4.6502   23.597   9.6300   27.549   9.4186 -3.951666 13.47026 
1 1 1    7   18   16 o   58.379   4.5790   26.424   3.9537   23.941   5.5522   28.979   5.6313   54.170   7.0409   60.102   6.3819 -5.932037 9.502760 
1 1 1    7   18   17 f   35.813   7.3125   10.959   3.7726   3.7698   6.4828   14.640   4.6390   24.891   10.417   41.168   7.8441 -16.27690 13.04024 
1 1 1    7   19    0 o  225.449   2.7899  379.343   9.3747  379.343   9.3747  379.343   9.3747  225.449   2.7899  225.449   2.7899 0.000000 0.000000 
1 1 1    7   19    1 o  101.360   2.6588   76.705   4.0180   72.940   8.6566   77.739   4.5363   98.373   5.9298  102.021   2.9822 -3.647812 6.637471 
1 1 1    7   19    2 o  138.569   2.0780  143.280   4.2932  146.891   6.1115  139.761   6.0323  140.240   2.9228  136.791   2.9577 3.449219 4.158245 
1 1 1    7   19    3 o  217.092   2.2296  351.738   7.2167  348.063   9.2067  357.595   11.622  215.876   2.8604  218.701   3.5642 -2.824051 4.570054 
1 1 1    7   19    4 o  132.255   2.7023  130.626   5.3287  134.316   6.1767  119.885   10.537  134.075   3.0899  126.339   5.5940 7.735542 6.390592 
1 1 1    7   19    5 o   13.629   6.0219  -0.7506   2.4042   3.4814   3.7916  -3.5966   3.1093   23.402   8.4619   12.931   6.1135 10.47041 10.43929 
1 1 1    7   19    6 o   45.428   4.0251   15.574   2.6981   13.191   4.2390   17.196   3.4981   41.202   7.1602   47.606   5.0032 -6.403465 8.735020 
1 1 1    7   19    7 o   78.441   2.7841   45.978   3.2561   46.946   5.0153   45.272   4.2811   79.023   4.2726   77.768   3.6922 1.255600 5.646888 
1 1 1    7   19    8 o  132.340   2.2287  130.776   4.3976  134.096   6.7851  128.372   5.7746  133.864   3.3996  131.036   2.9557 2.827957 4.504793 
1 1 1    7   19    9 o   62.349   3.5651   29.204   3.3004   25.444   5.0576   31.992   4.3556   57.766   5.9577   65.123   4.5137 -7.356396 7.474470 
1 1 1    7   19   10 o   27.925   7.9836   6.1044   3.4908   9.8966   5.0663   2.6766   4.8166   35.225   9.4505   23.732   9.3180 11.49291 13.27164 
1 1 1    7   19   11 o   82.629   3.2849   51.147   4.0469   54.347   6.5560   49.177   5.1439   84.709   5.2162   80.774   4.2865 3.934677 6.751557 
1 1 1    7   19   12 o   56.382   4.4507   24.111   3.7110   22.158   5.9020   25.387   4.7725   53.142   7.6710   57.576   5.6316 -4.434315 9.516247 
1 1 1    7   19   13 o   84.625   3.3205   53.840   4.1896   56.663   6.6232   51.956   5.4094   86.153   5.1803   82.758   4.3998 3.395302 6.796569 
1 1 1    7   19   14 o   83.930   3.6752   53.288   4.5990   52.597   6.6619   53.917   6.3568   82.510   5.4460   83.713   5.1176 -1.203224 7.473199 
1 1 1    7   19   15 o   14.797   6.7552  -1.7004   3.3142  -7.1291   5.2424   1.9137   4.2774   15.485   7.4834   20.880   8.5737 -5.395054 11.38022 
1 1 1    7   19   16 o   18.468   7.7302   1.2245   3.5704   1.0295   5.0456   1.4201   5.0531   20.703   8.9418   21.109   9.0300 -0.4059296 12.70812 
1 1 1    7   20    0 o   92.488   3.2377   64.073   4.4524   64.073   4.4524   64.073   4.4524   92.488   3.2377   92.488   3.2377 0.000000 0.000000 
1 1 1    7   20    1 o  118.628   2.5680  105.087   4.5421  104.086   9.4566  105.387   5.1786  117.723   5.3877  118.767   2.9245 -1.044128 6.130215 
1 1 1    7   20    2 o   22.943   7.8907   3.6453   3.2652   2.4743   3.5462   10.166   8.3683   21.329   8.0939   37.267   12.635 -15.93778 15.00548 
1 1 1    7   20    3 o   25.522   7.1671   5.0602   2.8395   3.0455   3.7258   7.8517   4.3857   22.563   8.3511   31.671   8.9119 -9.108244 12.21325 
1 1 1    7   20    4 o  112.082   2.9585   93.886   4.9440   96.733   5.6273   84.254   10.351  113.731   3.3185  105.449   6.6175 8.282364 7.402977 
1 1 1    7   20    5 o   60.025   4.4762   27.172   3.9772   24.464   4.4355   38.277   8.9834   56.802   5.2986   70.332   8.7564 -13.53056 10.23471 
1 1 1    7   20    6 o   70.116   4.0855   36.973   4.2525   38.277   6.8793   36.167   5.4100   70.863   6.5865   69.140   5.2881 1.722786 8.446654 
1 1 1    7   20    7 o   25.595   7.7639   5.0231   3.2211   6.5885   4.3209   3.0650   4.8325   29.277   9.0138   24.311   9.3926 4.965694 13.01799 
1 1 1    7   20    8 o   97.946   3.0000   71.757   4.3811   76.217   6.0564   66.860   6.3454  100.810   4.0294   94.348   4.5108 6.462318 6.048432 
1 1 1    7   20    9 o   60.218   4.3594   27.378   3.8875   34.769   5.2775   18.610   5.7481   67.719   5.2684   48.696   8.2089 19.02251 9.754064 
1 1 1    7   20   10 o   75.315   3.6999   42.553   4.1547   41.532   5.8896   43.564   5.8619   73.962   5.3776   75.797   5.2187 -1.835312 7.493563 
1 1 1    7   20   11 o  104.652   2.8280   82.016   4.4127   81.048   6.8616   82.698   5.7623  103.691   4.4382  104.922   3.6835 -1.230080 5.767681 
1 1 1    7   20   12 o   17.112   7.4801  -0.5270   3.6196   5.1882   6.8006  -2.7860   4.2755   28.971   11.156   16.534   7.5942 12.43713 13.49579 
1 1 1    7   20   13 o   17.181   7.4368  -0.1124   3.5054  -1.3912   6.0307   0.5400   4.3079   21.077   9.4115   19.661   8.3721 1.416130 12.59635 
1 1 1    7   20   14 o   52.055   5.6891   21.334   4.3436   16.433   7.2969   24.024   5.4056   42.470   11.319   54.692   6.7739 -12.22285 13.19073 
1 1 1    7   20   15 o   38.139   6.7726   12.030   3.7101   15.248   5.4218   9.1958   5.0879   41.613   9.0004   31.898   9.7745 9.715517 13.28714 
1 1 1    7   20   16 o   31.527   7.6364   8.7419   3.5515   7.8353   5.0516   9.6280   4.9942   28.924   9.8171   31.844   9.6691 -2.920328 13.77924 
1 1 1    7   21    0 o  149.483   5.1342  167.709   11.412  167.709   11.412  167.709   11.412  149.483   5.1342  149.483   5.1342 0.000000 0.000000 
1 1 1    7   21    1 o  104.284   2.8879   81.283   4.4903   77.035   4.9762   99.908   10.419  101.484   3.2887  114.949   6.1013 -13.46495 6.931162 
1 1 1    7   21    2 o  140.951   2.6407  148.434   5.5496  147.853   6.3206  150.389   11.594  140.628   3.0145  141.358   5.5012 -0.7299957 6.272985 
1 1 1    7   21    3 o   81.551   2.7139   49.698   3.2998   49.482   4.7454   49.901   4.5917   81.268   3.9163   81.625   3.7729 -0.3574600 5.438095 
1 1 1    7   21    4 o  127.777   2.2354  121.922   4.2587  117.544   6.2095  125.811   5.8519  125.333   3.3229  129.706   3.0260 -4.373840 4.494254 
1 1 1    7   21    5 o   83.690   3.6284   52.460   4.5276   53.679   7.1232   51.634   5.8647   84.180   5.7091   82.753   4.7735 1.427193 7.441780 
1 1 1    7   21    6 o  122.004   2.5580  111.239   4.6532  111.292   8.8119  111.218   5.4794  121.645   4.8585  121.935   3.0139 -0.2898178 5.717439 
1 1 1    7   21    7 o   77.972   2.9498   45.479   3.4293   44.604   5.1659   46.168   4.5853   76.911   4.5249   78.457   3.9198 -1.546692 5.986599 
1 1 1    7   21    8 o  178.239   2.1775  237.313   5.7868  245.543   8.8896  231.261   7.6232  181.070   3.2928  175.813   2.9081 5.256393 4.393154 
1 1 1    7   21    9 o   25.006   8.0794   4.7004   3.4326   4.1027   4.8407   5.3049   4.8682   25.622   9.5120   27.438   9.6236 -1.815485 13.53111 
1 1 1    7   21   10 o   77.418   3.2935   44.963   3.8016   44.503   5.7841   45.313   5.0442   76.526   5.0986   77.412   4.3884 -0.8855209 6.727063 
1 1 1    7   21   11 o   41.883   5.6911   13.614   3.4619   12.655   5.4948   14.246   4.4580   39.190   9.5022   42.349   7.3254 -3.159767 11.99804 
1 1 1    7   21   12 o   21.151   8.1526   2.5785   3.6341   3.4809   8.5125   2.3774   4.0187   28.699   11.967   21.484   8.4870 7.214865 14.67142 
1 1 1    7   21   13 o   25.061   7.8961   5.0997   3.2944   6.0080   5.1176   4.4570   4.3049   27.617   9.8491   24.637   9.0000 2.979935 13.34185 
1 1 1    7   21   14 o   63.174   4.2230   30.821   3.9548   29.368   5.7065   32.164   5.4858   60.303   6.4467   63.550   5.8555 -3.246746 8.709056 
1 1 1    7   21   15 o   44.329   5.3576   15.793   3.4692   25.281   5.4118   9.1746   4.5200   55.159   6.7193   31.590   9.1006 23.56832 11.31242 
1 1 1    7   22    0 o  104.716   7.9985   83.903   12.320   83.903   12.320   83.903   12.320  104.716   7.9985  104.716   7.9985 0.000000 0.000000 
1 1 1    7   22    1 f  106.556   3.2522   84.973   5.1669   86.586   5.6481   76.702   12.792  107.526   3.5230   99.713   8.6911 7.813217 9.378038 
1 1 1    7   22    2 o  121.268   2.4693  109.880   4.4646  121.988   6.5513   99.380   6.1007  127.638   3.4425  115.188   3.5522 12.44936 4.946634 
1 1 1    7   22    3 o   46.953   4.2799   16.684   2.9633   12.641   4.1478   20.900   4.2350   40.211   7.1819   52.366   5.5066 -12.15554 9.050025 
1 1 1    7   22    4 o   99.663   2.6522   74.252   3.9410   82.047   5.6989   67.108   5.4558  104.633   3.6530   94.599   3.8681 10.03396 5.320421 
1 1 1    7   22    5 o   37.256   6.8599   10.862   3.6701   15.575   5.1649   6.0554   5.2160   44.477   8.0865   29.012   9.9734 15.46541 12.83982 
1 1 1    7   22    6 o   71.552   3.6055   38.473   3.8340   38.396   7.4840   38.501   4.4644   70.647   7.2060   71.474   4.2079 -0.8273849 8.344584 
1 1 1    7   22    7 o   66.504   3.4039   33.233   3.3638   31.284   5.1239   34.709   4.4594   64.131   5.4093   67.786   4.4368 -3.655853 6.996078 
1 1 1    7   22    8 o   95.731   3.1743   68.677   4.5308   67.470   6.0011   70.275   6.9096   94.693   4.2505   96.518   4.8015 -1.825012 6.412605 
1 1 1    7   22    9 f   67.766   3.5762   34.597   3.6005   34.906   5.6918   34.390   4.6488   67.530   5.7065   67.319   4.6603 0.2115250 7.367612 
1 1 1    7   22   10 o   43.329   5.3673   14.503   3.3932   15.394   5.0948   13.793   4.5489   43.757   8.1077   41.531   7.6272 2.226048 11.13146 
1 1 1    7   22   11 o   66.598   3.8875   33.666   3.8434   40.454   6.7669   30.434   4.6696   71.990   6.3702   62.931   5.0185 9.058914 8.109503 
1 1 1    7   22   12 o   15.310   6.8729  -1.1267   3.2620   3.2019   4.9624  -4.4201   4.3285   23.653   9.4034   15.169   7.1838 8.484379 11.83347 
1 1 1    7   22   13 o   56.672   4.2242   24.811   3.5437   19.590   5.1984   29.344   4.8436   48.594   7.4095   61.017   5.3791 -12.42302 9.156154 
1 1 1    7   22   14 o   19.166   7.7686   1.9704   3.4565   1.8081   4.7545   2.1524   5.0340   20.895   8.8421   21.643   9.1252 -0.7482834 12.70642 
1 1 1    7   22   15 o   41.922   5.7985   14.549   3.5273   9.8506   5.2679   18.367   4.7489   31.387   9.9952   46.067   7.1455 -14.68040 12.28666 
1 1 1    7   23    0 o   73.085   4.0226   40.285   4.3530   40.285   4.3530   40.285   4.3530   73.085   4.0226   73.085   4.0226 0.000000 0.000000 
1 1 1    7   23    1 o   28.248   6.3581   6.2837   2.6132   2.1924   3.7834   10.016   3.6137   21.214   8.2785   35.690   7.0412 -14.47637 10.86791 
1 1 1    7   23    2 o  103.434   2.6423   79.997   4.0749   85.780   5.6570   73.760   5.8749  106.979   3.5466   99.133   3.9748 7.846138 5.327027 
1 1 1    7   23    3 o   21.964   7.8442   3.1984   3.2473   5.9261   4.2362  -0.6884   5.0567   27.950   8.9698   20.344   8.8684 7.605572 12.61368 
1 1 1    7   23    4 o  137.845   2.5489  142.066   5.2386  160.048   8.3386  130.341   6.7332  146.042   3.8295  131.880   3.4243 14.16203 5.137212 
1 1 1    7   23    5 f  128.991   2.6120  124.441   5.0234  126.561   6.5761  121.469   7.7841  129.942   3.3943  127.141   4.1063 2.800468 5.327544 
1 1 1    7   23    6 o   99.129   3.0877   73.612   4.5636   70.812   8.6807   74.682   5.3648   96.377   6.0721   99.758   3.6069 -3.380989 7.062594 
1 1 1    7   23    7 o   97.123   2.7231   70.619   3.9433   73.900   5.8739   67.928   5.3205   99.117   3.9747   95.073   3.7534 4.043724 5.466845 
1 1 1    7   23    8 o  123.816   2.9941  114.971   5.5274  120.704   6.9617  105.195   9.0917  126.671   3.6861  117.739   5.1791 8.932198 6.356945 
1 1 1    7   23    9 o   95.791   2.8251   68.849   4.0349   69.244   6.3242   68.577   5.2400   95.616   4.4362   95.387   3.6844 0.2290573 5.766672 
1 1 1    7   23   10 o   74.605   3.4393   41.998   3.8257   41.828   6.0774   42.110   4.9236   73.543   5.5842   74.273   4.4669 -0.7293015 7.150990 
1 1 1    7   23   11 o   24.729   8.2661   4.8562   3.5810   6.3396   6.3755   4.1726   4.3282   28.900   10.879   24.219   8.9937 4.680996 14.11527 
1 1 1    7   23   12 f   92.363   3.3955   64.884   4.6760   59.202   6.2359   72.184   7.0677   87.242   4.8127   96.250   4.9417 -9.008087 6.898034 
1 1 1    7   23   13 o   31.054   7.6367   8.3916   3.5113   6.0677   5.0835   10.512   4.8556   26.592   9.7701   33.781   9.3316 -7.188641 13.51053 
1 1 1    7   23   14 o   65.064   4.2191   33.250   4.0709   31.758   7.2959   33.925   4.9055   59.303   8.4941   64.970   5.1052 -5.666664 9.910228 
1 1 1    7   24    0 o   38.597   8.2840   12.632   4.1853   12.632   4.1853   12.632   4.1853   38.597   8.2840   38.597   8.2840 0.000000 0.000000 
1 1 1    7   24    1 o  139.383   2.5328  145.286   5.2635  143.471   7.6396  146.926   7.2622  138.262   3.7059  139.972   3.4798 -1.710403 5.083618 
1 1 1    7   24    2 o   58.463   3.8128   25.772   3.3052   26.105   5.0406   25.521   4.3778   58.396   5.8687   57.913   5.1229 0.4832535 7.790119 
1 1 1    7   24    3 o   58.943   3.9108   26.217   3.4174   24.905   4.6538   27.753   5.0346   57.094   5.5366   60.263   5.6699 -3.169819 7.924785 
1 1 1    7   24    4 o  101.131   2.7145   76.550   4.0930   87.188   6.0191   67.400   5.5822  107.734   3.7472   94.683   3.9543 13.05184 5.447748 
1 1 1    7   24    5 o   95.187   3.0843   67.923   4.3773   72.881   5.6826   60.689   6.8643   98.442   3.8717   89.384   5.1729 9.058495 6.461285 
1 1 1    7   24    6 o  145.352   2.2702  158.032   4.9199  153.240   7.4041  161.820   6.5836  142.808   3.4773  146.898   3.0059 -4.089523 4.596455 
1 1 1    7   24    7 o   46.433   4.6423   16.488   3.1708   14.174   4.5773   18.623   4.3966   42.141   7.5630   48.934   6.1628 -6.793270 9.756021 
1 1 1    7   24    8 o   24.624   7.7116   4.7637   3.1475   4.3946   4.6275   5.0814   4.2937   25.330   9.3193   26.073   9.0439 -0.7428398 12.98620 
1 1 1    7   24    9 o   33.629   6.8575   9.1522   3.3218   13.292   5.4610   6.7208   4.1850   39.623   9.3879   28.626   8.8803 10.99667 12.92259 
1 1 1    7   24   10 f   49.455   5.1109   19.088   3.7142   20.544   7.1912   18.558   4.3376   48.316   10.297   48.277   6.1670 0.3890228E-01 12.00282 
1 1 1    7   24   11 o   17.218   7.4188   0.3353   3.4565  -2.2365   6.1492   1.5232   4.1792   19.909   9.1310   20.011   8.3685 -0.1018429 12.38577 
1 1 1    7   24   12 o   29.474   8.3294   7.7474   3.8225   9.9191   4.8681   4.2553   6.1732   32.689   9.4525   25.028   10.291 7.661509 13.97332 
1 1 1    7   24   13 o   14.171   6.6220  -2.3190   3.4673  -1.9818   4.8670  -2.6665   4.9407   17.242   7.9848   16.883   7.8944 0.3594284 11.22850 
1 1 1    7   25    0 o   13.348   8.5772   0.1613   3.8990   0.1613   3.8990   0.1613   3.8990   13.348   8.5772   13.348   8.5772 0.000000 0.000000 
1 1 1    7   25    1 o   74.459   3.0014   41.558   3.3321   37.698   4.6032   45.807   4.8294   70.564   4.3971   77.867   4.1750 -7.302292 6.063451 
1 1 1    7   25    2 o   71.103   3.2500   37.939   3.4455   42.267   4.9806   33.966   4.7714   74.697   4.4929   66.849   4.8195 7.847626 6.588916 
1 1 1    7   25    3 o   51.670   4.2558   20.271   3.2495   16.908   4.4879   23.977   4.7112   46.523   6.6601   55.837   5.7407 -9.314144 8.792770 
1 1 1    7   25    4 o   63.318   3.8199   30.302   3.5893   29.016   5.0783   31.586   5.0738   61.472   5.6024   64.239   5.3460 -2.766750 7.743758 
1 1 1    7   25    5 o   79.678   3.2511   47.717   3.8622   47.495   5.4327   47.945   5.4919   79.032   4.6306   79.397   4.6597 -0.3646851 6.569221 
1 1 1    7   25    6 o   19.344   7.5870   1.8951   3.1900   5.9796   5.1951  -0.5769   4.0416   28.237   9.9390   17.966   7.8774 10.27066 12.68220 
1 1 1    7   25    7 o   63.564   4.1558   30.781   3.9169   27.206   5.8720   33.646   5.2574   58.672   6.8410   65.999   5.3898 -7.327133 8.709167 
1 1 1    7   25    8 o   88.108   3.0924   58.567   4.0625   60.372   6.4814   57.399   5.2137   88.525   4.9301   86.868   4.0254 1.657394 6.364765 
1 1 1    7   25    9 o   20.554   7.7255   2.8294   3.2127   3.6969   4.7998   2.1254   4.3241   23.851   9.3198   21.180   8.6497 2.671379 12.71519 
1 1 1    7   25   10 o   34.828   6.9806   10.162   3.4986   13.685   6.3132   8.6008   4.2031   38.071   10.685   31.186   8.7065 6.885183 13.78329 
1 1 1    7   25   11 o   37.228   6.3022   11.521   3.3733   10.434   5.0822   12.377   4.5100   33.240   9.6715   37.267   8.3266 -4.027180 12.76208 
1 1 1    7   25   12 o   43.251   5.3267   15.253   3.3624   13.570   5.0148   16.628   4.5321   37.883   9.0099   43.735   7.2010 -5.851830 11.53403 
1 1 1    7   25   13 o   38.449   6.4971   12.881   3.5919   10.702   4.9570   15.289   5.2120   32.085   9.6087   39.363   9.0674 -7.278362 13.21157 
1 1 1    7   26    0 o   46.102   6.5604   16.958   4.2454   16.958   4.2454   16.958   4.2454   46.102   6.5604   46.102   6.5604 0.000000 0.000000 
1 1 1    7   26    1 o   47.961   4.3070   17.540   3.0471   19.832   4.3663   15.364   4.2542   50.554   5.9040   44.168   6.6678 6.386108 8.906021 
1 1 1    7   26    2 o   94.055   2.8450   66.396   3.9897   65.401   5.5838   67.435   5.7026   93.033   4.0255   94.461   4.0490 -1.427826 5.709601 
1 1 1    7   26    3 o   57.897   4.0828   25.479   3.5018   27.032   4.8282   23.754   5.0865   59.181   5.5362   55.167   6.2967 4.013405 8.384420 
1 1 1    7   26    4 o   41.043   5.5970   13.151   3.3357   19.221   4.9824   8.2206   4.4906   49.213   6.9865   31.525   9.0677 17.68809 11.44703 
1 1 1    7   26    5 o   35.830   6.3188   10.237   3.2523   10.909   4.6165   9.5749   4.5825   36.159   8.6743   33.797   8.9517 2.361572 12.46504 
1 1 1    7   26    6 o   96.895   3.1694   70.863   4.5788   76.262   6.0966   63.877   6.9350  100.113   4.0844   90.961   5.1346 9.151993 6.560948 
1 1 1    7   26    7 o   12.160   5.8366  -4.0480   3.0627  -1.8829   4.5002  -5.9160   4.1801   17.397   7.9147   13.837   6.6858 3.559561 10.36067 
1 1 1    7   26    8 o   75.249   3.2561   43.004   3.6532   53.864   5.6619   35.258   4.7817   83.364   4.5727   67.266   4.7993 16.09779 6.628986 
1 1 1    7   26    9 o   39.664   5.4454   12.651   3.1353   14.084   4.7878   11.574   4.1486   40.123   8.2781   36.553   7.8467 3.570313 11.40608 
1 1 1    7   26   10 o   19.660   7.8547   2.4116   3.4786   2.0191   5.5639   2.6635   4.4572   21.858   9.4154   21.243   8.7407 0.6149273 12.84718 
1 1 1    7   26   11 o   21.489   7.6625   3.9054   3.0975   3.9289   4.8472   3.8892   4.0269   22.710   9.2015   22.049   8.5585 0.6603603 12.56646 
1 1 1    7   26   12 f   33.325   6.8893   9.9579   3.3100   14.510   5.1838   6.8243   4.3010   37.917   9.2514   26.056   9.0508 11.86123 12.94242 
1 1 1    7   27    0 o   71.431   4.5326   38.804   4.7827   38.804   4.7827   38.804   4.7827   71.431   4.5326   71.431   4.5326 0.000000 0.000000 
1 1 1    7   27    1 o   42.876   4.5881   14.178   2.8875   11.838   4.1622   16.350   4.0093   38.051   7.6023   45.548   6.0537 -7.497391 9.718139 
1 1 1    7   27    2 o   16.157   6.7364   0.6376   2.6964   5.3867   4.1799  -2.7475   3.5289   26.217   8.9298   14.525   6.7517 11.69173 11.19494 
1 1 1    7   27    3 o   45.188   4.7326   15.804   3.1413   14.353   4.7120   16.965   4.2143   41.746   7.8589   46.219   6.2780 -4.473492 10.05858 
1 1 1    7   27    4 o   88.906   3.2375   59.773   4.2916   69.859   6.5252   52.084   5.6971   95.437   4.5857   82.246   4.6651 13.19063 6.541550 
1 1 1    7   27    5 o   35.905   7.3530   10.714   3.8038   19.481   8.9806   8.7973   4.1991   44.795   12.805   31.986   8.6131 12.80902 15.43206 
1 1 1    7   27    6 o   18.604   7.4015   1.8577   3.0765   0.5037   4.6500   2.9118   4.1029   19.705   8.5474   21.740   8.5795 -2.034773 12.11059 
1 1 1    7   27    7 o   15.268   6.7435  -0.3641   3.0122  -2.7889   4.4083   1.7599   4.1257   16.168   7.5257   20.041   8.3422 -3.873009 11.23514 
1 1 1    7   27    8 o   41.370   5.1216   13.726   3.0916   15.808   4.7105   12.151   4.0976   42.711   7.6795   37.375   7.6117 5.335503 10.81259 
1 1 1    7   27    9 o   36.313   6.1467   11.072   3.2092   15.985   4.8436   7.2275   4.2847   42.299   7.9725   27.714   9.0322 14.58495 12.04746 
1 1 1    7   27   10 o   14.851   6.6867  -0.5518   3.1141   0.5251   4.7618  -1.3565   4.1163   18.803   8.3820   16.121   7.4219 2.682730 11.19571 
1 1 1    7   27   11 o   20.172   7.6025   3.4750   3.1152   2.0593   4.7752   4.5239   4.1103   19.793   8.6234   22.273   8.6462 -2.479313 12.21148 
1 1 1    7   28    0 o  119.430   3.6724  107.449   6.5253  107.449   6.5253  107.449   6.5253  119.430   3.6724  119.430   3.6724 0.000000 0.000000 
1 1 1    7   28    1 o   22.270   7.3672   3.9514   2.8467   3.0897   4.2124   4.6757   3.8620   22.237   8.7193   24.347   8.5694 -2.110645 12.22546 
1 1 1    7   28    2 o   56.732   8.1975   27.099   6.7329   31.466   9.2245   22.121   9.8496   58.758   10.932   46.620   13.435 12.13870 17.32077 
1 1 1    7   28    3 o   16.445   6.8488   0.8567   2.7828  -3.7393   4.1203   4.7113   3.7734   14.955   7.0603   24.199   8.4735 -9.243772 11.02940 
1 1 1    7   28    4 o   56.843   3.9773   24.953   3.3495   23.616   4.7178   26.312   4.7564   54.163   5.9395   57.408   5.6294 -3.245071 8.183363 
1 1 1    7   28    5 o   32.804   7.2426   9.2158   3.4476   7.9880   6.6106   9.6745   4.0406   29.550   11.087   33.060   8.2296 -3.509409 13.80746 
1 1 1    7   28    6 o   18.486   7.3443   2.0519   3.0253   6.3580   4.3820  -1.8699   4.1819   26.584   9.1412   16.227   7.4744 10.35759 11.80803 
1 1 1    7   28    7 o   41.144   6.2264   14.184   3.7001   15.633   4.9401   12.332   5.5844   41.594   8.2573   35.169   10.111 6.424076 13.05425 
1 1 1    7   28    8 o   38.129   6.1475   12.329   3.3759   21.624   5.8428   7.6706   4.1362   48.421   8.3977   28.189   8.8423 20.23214 12.19454 
1 1 1    7   28    9 o   15.684   7.1285  -0.6490   3.6392   1.3976   5.6297  -2.1180   4.7697   20.310   9.0794   16.494   7.7266 3.815905 11.92203 
1 1 1    7   28   10 o   37.429   6.0953   12.288   3.2844   13.344   4.8168   11.370   4.4902   35.857   9.0183   33.076   8.9066 2.780487 12.67513 
1 1 1    7   29    0 o   42.494   6.9616   14.944   4.0550   14.944   4.0550   14.944   4.0550   42.494   6.9616   42.494   6.9616 0.000000 0.000000 
1 1 1    7   29    1 o   50.034   3.9766   19.468   2.9420   16.420   4.2715   22.220   4.0580   44.317   6.6713   52.702   5.2336 -8.384579 8.479204 
1 1 1    7   29    2 o   22.075   7.0664   4.1071   2.6304   7.5456   4.0654   1.6309   3.4499   28.758   8.7220   18.552   7.6676 10.20531 11.61313 
1 1 1    7   29    3 o   25.695   7.0842   5.7495   2.8015   12.011   4.3325   1.2495   3.6727   36.610   8.1470   18.354   7.7694 18.25666 11.25775 
1 1 1    7   29    4 o   16.675   7.0009   1.0428   2.9429   0.9518   4.2752   1.1247   4.0570   18.876   8.1917   18.722   8.0522 0.1535721 11.48660 
1 1 1    7   29    5 o   24.576   7.4815   5.4084   2.9872   2.5210   4.6333   7.4623   3.9078   20.907   8.7814   28.158   8.5537 -7.251465 12.25887 
1 1 1    7   29    6 o   26.791   7.3634   6.5329   3.0323   11.953   4.5440   2.1814   4.0714   35.314   8.6895   19.629   8.2376 15.68518 11.97348 
1 1 1    7   29    7 o   19.339   7.5853   2.8537   3.1888   5.1494   4.2988   0.0453   4.7548   23.472   8.9104   18.118   8.2005 5.353897 12.10965 
1 1 1    7   29    8 o   34.247   6.4257   10.442   3.1605   12.048   4.7744   9.1893   4.2166   33.867   9.2114   29.758   8.8508 4.108480 12.77444 
1 1 1    7   30    0 o   94.582   3.8236   68.063   5.3720   68.063   5.3720   68.063   5.3720   94.582   3.8236   94.582   3.8236 0.000000 0.000000 
1 1 1    7   30    1 o   55.176   3.6946   23.793   3.0219   21.918   4.3688   25.513   4.1843   51.256   5.8199   56.042   5.0624 -4.785671 7.713525 
1 1 1    7   30    2 o   35.223   7.2711   11.117   3.6920   17.498   4.2714  -7.7311   7.3415   45.063   6.5490   17.569   8.5734 27.49410 10.78858 
1 1 1    7   30    3 o   26.080   6.9819   6.1410   2.7688   2.9549   4.0480   8.9420   3.7954   20.448   8.3620   30.668   8.1581 -10.22014 11.68236 
1 1 1    7   30    4 o   13.475   6.1835  -1.1122   2.8252  -1.0126   4.0744  -1.2045   3.9208   16.148   7.4157   15.707   7.2358 0.4410629 10.36095 
1 1 1    7   30    5 o   26.422   7.5018   6.6196   3.0932   3.4234   4.3364   9.9304   4.4135   20.888   8.6113   31.022   9.0089 -10.13396 12.46255 
1 1 1    7   30    6 o   17.212   7.0834   1.9038   2.9279   2.0421   4.3531   1.7895   3.9565   19.036   8.2635   18.333   7.9182 0.7029686 11.44482 
1 1 1    7   30    7 o   12.526   6.0464  -3.5191   3.3987  -5.5185   4.2874  -0.1380   5.5754   13.161   6.4496   18.143   8.4510 -4.982268 10.63094 
1 1 1    7   31    0 o   47.153   6.4771   18.380   4.3094   18.380   4.3094   18.380   4.3094   47.153   6.4771   47.153   6.4771 0.000000 0.000000 
1 1 1    7   31    1 o   31.009   6.1896   8.5471   2.7614   9.4151   3.9725   7.7354   3.8413   30.408   8.4555   27.416   8.5084 2.992168 11.99536 
1 1 1    7   31    2 o   18.969   6.9858   3.1194   2.6012   1.7558   3.9296   4.1828   3.4703   18.211   7.8783   21.181   8.0141 -2.969866 11.23802 
1 1 1    7   31    3 o   23.255   7.2019   5.2042   2.7538   4.8426   4.0775   5.5075   3.7341   22.132   8.6061   23.223   8.3975 -1.091003 12.02429 
1 1 1    7   31    4 o   16.478   6.9040   1.6422   2.8522   4.7081   4.2337  -0.9056   3.8594   21.717   8.6691   15.302   7.0949 6.414565 11.20230 
1 1 1    8    1    0 o  432.744   3.0750  1396.59   19.838  1396.59   19.838  1396.59   19.838  432.744   3.0750  432.744   3.0750 0.000000 0.000000 
1 1 1    8    1    1 o  228.109   1.8900  387.977   6.4281  388.360   9.2531  387.620   8.9365  228.199   2.7196  227.985   2.6290 0.2146912 3.782551 
1 1 1    8    1    2 o  268.418   1.8002  537.207   7.2043  533.236   9.3529  543.001   11.297  267.407   2.3459  269.827   2.8081 -2.419586 3.659007 
1 1 1    8    1    3 o  186.523   1.7034  259.403   4.7371  258.823   7.5779  259.776   6.0691  186.290   2.7283  186.647   2.1809 -0.3565826 3.492813 
1 1 1    8    1    4 o  188.336   1.7669  264.466   4.9615  261.368   7.9162  266.470   6.3674  187.209   2.8361  189.040   2.2591 -1.831207 3.625874 
1 1 1    8    1    5 o  195.365   1.8562  284.565   5.4068  276.794   8.5728  289.697   6.9673  192.662   2.9844  197.111   2.3707 -4.449768 3.811427 
1 1 1    8    1    6 o  380.390   2.3423  1078.86   13.285  1062.57   20.714  1090.23   17.314  377.467   3.6806  382.371   3.0370 -4.903748 4.771800 
1 1 1    8    1    7 o  311.362   2.0309  722.798   9.4279  744.907   16.847  712.716   11.376  316.054   3.5751  309.175   2.4678 6.878357 4.344144 
1 1 1    8    1    8 o  155.479   2.0718  180.232   4.8027  191.832   6.9627  169.704   6.6334  160.395   2.9115  150.861   2.9491 9.534576 4.144151 
1 1 1    8    1    9 o  272.612   2.3431  554.120   9.5236  561.569   12.382  543.330   14.902  274.422   3.0262  269.910   3.7031 4.512146 4.782352 
1 1 1    8    1   10 o  211.846   2.0246  334.621   6.3949  331.703   9.6482  336.907   8.5403  210.896   3.0684  212.554   2.6948 -1.657471 4.083759 
1 1 1    8    1   11 o  351.477   2.1540  921.205   11.288  938.321   21.330  914.547   13.303  354.604   4.0345  350.185   2.5479 4.418243 4.771662 
1 1 1    8    1   12 o  186.113   2.0852  258.318   5.7863  251.706   10.935  260.889   6.8192  183.623   3.9943  187.023   2.4455 -3.400040 4.683458 
1 1 1    8    1   13 o  200.648   2.1058  300.285   6.2999  322.007   9.9540  285.771   8.1369  207.707   3.2142  195.701   2.7887 12.00645 4.255338 
1 1 1    8    1   14 o   23.563   7.3777   4.1304   2.8810   6.6271   4.6642   2.5901   3.6635   29.810   9.3957   21.810   8.2385 7.999729 12.49610 
1 1 1    8    1   15 o  137.244   2.4290  140.568   4.9703  151.350   9.8096  136.844   5.7652  142.212   4.6264  135.386   2.8561 6.825729 5.437005 
1 1 1    8    1   16 o   59.504   4.1279   26.617   3.6396   29.681   7.8044   25.765   4.1143   62.035   8.6753   58.458   4.7619 3.576847 9.896265 
1 1 1    8    1   17 o  105.815   3.0784   83.667   4.8568   85.322   7.5924   82.521   6.3187  106.680   4.7734  104.999   4.0362 1.681068 6.251072 
1 1 1    8    1   18 o  121.265   2.5411  109.869   4.5944  117.173   8.1631  106.483   5.5584  124.956   4.3816  119.314   3.1245 5.642616 5.381524 
1 1 1    8    1   19 o   55.427   5.0390   23.400   4.1188   25.553   10.990   23.048   4.4426   54.897   13.517   54.894   5.5020 0.2285004E-02 14.59433 
1 1 1    8    1   20 o   62.698   3.9262   29.809   3.6517   29.159   6.4065   30.122   4.4444   60.820   7.2049   62.773   4.7847 -1.952686 8.648950 
1 1 1    8    1   21 o   67.160   4.3941   34.581   4.3757   44.424   7.5667   29.635   5.3634   74.741   6.8670   61.454   5.9271 13.28699 9.071154 
1 1 1    8    2    0 o   60.387   2.8058   27.366   2.5138   27.366   2.5138   27.366   2.5138   60.387   2.8058   60.387   2.8058 0.000000 0.000000 
1 1 1    8    2    1 o  364.987   2.3950  993.432   13.033  998.320   15.082  979.021   25.897  365.864   2.7649  362.152   4.7961 3.712433 5.535995 
1 1 1    8    2    2 o  471.328   2.5636  1656.72   18.016  1648.23   22.942  1670.37   29.098  470.063   3.2734  473.125   4.1249 -3.061188 5.265907 
1 1 1    8    2    3 o  214.351   2.0343  342.595   6.5015  336.507   9.0167  349.187   9.3834  212.417   2.8470  216.380   2.9085 -3.963287 4.070006 
1 1 1    8    2    4 o  126.838   1.8172  119.948   3.4366  124.983   4.4709  112.677   5.3726  129.467   2.3161  122.921   2.9315 6.546745 3.736060 
1 1 1    8    2    5 o  248.072   1.7640  458.812   6.5244  452.664   9.1683  465.120   9.2867  246.392   2.4957  249.759   2.4938 -3.366821 3.528141 
1 1 1    8    2    6 o  427.114   2.1200  1360.12   13.501  1338.86   20.396  1376.71   18.011  423.729   3.2283  429.690   2.8114 -5.960968 4.280867 
1 1 1    8    2    7 o  238.107   1.9038  422.694   6.7587  390.093   11.128  441.748   8.5076  228.720   3.2632  243.409   2.3442 -14.68874 4.017972 
1 1 1    8    2    8 o  160.153   2.5029  191.246   5.9766  200.020   8.8392  183.855   8.1120  163.769   3.6200  157.014   3.4651 6.754379 5.011152 
1 1 1    8    2    9 o  674.205   3.5671  3390.06   35.857  3396.89   46.436  3379.97   56.432  674.788   4.6154  672.991   5.6241 1.797546 7.275457 
1 1 1    8    2   10 o  127.687   2.6517  121.583   5.0482  125.998   6.6686  115.656   7.7262  129.970   3.4413  124.506   4.1620 5.464005 5.400424 
1 1 1    8    2   11 o  117.008   2.4121  102.102   4.2081   98.222   6.4645  104.955   5.5433  114.731   3.7791  118.616   3.1344 -3.884789 4.909792 
1 1 1    8    2   12 o  139.983   2.4084  146.158   5.0266  151.384   9.0324  143.813   6.0500  142.383   4.2548  138.838   2.9227 3.544632 5.161874 
1 1 1    8    2   13 o  147.586   2.4541  162.499   5.4002  162.605   7.6653  162.393   7.6090  147.579   3.4836  147.484   3.4603 0.9486389E-01 4.910139 
1 1 1    8    2   14 o  215.859   2.3286  347.648   7.4942  349.852   10.744  345.558   10.459  216.449   3.3291  215.124   3.2609 1.325104 4.660030 
1 1 1    8    2   15 o   98.674   3.1000   72.716   4.5607   68.785   7.8213   74.742   5.6140   95.629   5.5089   99.997   3.7654 -4.367882 6.672778 
1 1 1    8    2   16 o   94.323   3.1319   66.466   4.4044   83.597   9.1048   61.233   5.0324  105.350   5.8191   90.493   3.7299 14.85731 6.911828 
1 1 1    8    2   17 o   76.804   4.2771   44.319   4.8784   41.461   6.8807   47.209   6.9178   73.936   6.3019   79.004   5.9158 -5.068161 8.643534 
1 1 1    8    2   18 o   83.911   3.3905   52.711   4.2419   63.135   7.3961   47.602   5.1782   91.373   5.4538   79.510   4.3850 11.86283 6.997996 
1 1 1    8    2   19 o   80.053   3.7211   48.157   4.4415   55.714   9.2039   45.863   5.0710   84.848   7.3480   77.884   4.3847 6.963318 8.556834 
1 1 1    8    2   20 o   77.660   3.6910   45.523   4.2738   50.166   8.3167   43.858   4.9819   79.963   7.0479   75.901   4.4214 4.061218 8.319942 
1 1 1    8    2   21 o   18.049   7.6464   0.6245   3.5620   10.362   6.7338  -3.1589   4.1974   34.329   11.330   15.772   7.3418 18.55696 13.50042 
1 1 1    8    3    0 o  167.023   2.1144  208.092   5.2635  208.092   5.2635  208.092   5.2635  167.023   2.1144  167.023   2.1144 0.000000 0.000000 
1 1 1    8    3    1 o  407.466   2.1073  1238.04   12.802  1261.54   18.361  1215.79   17.860  411.264   2.9943  403.740   2.9670 7.523987 4.215325 
1 1 1    8    3    2 o  107.674   1.5724   86.440   2.5244   83.704   3.4488   89.598   3.7049  105.950   2.1832  109.616   2.2669 -3.665916 3.147282 
1 1 1    8    3    3 o  480.266   2.6091  1720.01   18.683  1731.37   24.288  1703.54   29.239  481.802   3.3810  477.860   4.1038 3.942474 5.317180 
1 1 1    8    3    4 o  314.986   1.8848  739.731   8.8519  738.769   12.545  740.685   12.492  314.762   2.6732  315.171   2.6583 -0.4084778 3.769954 
1 1 1    8    3    5 o  132.837   1.8759  131.559   3.7153  129.577   5.7194  133.006   4.8868  131.823   2.9100  133.561   2.4540 -1.737473 3.806568 
1 1 1    8    3    6 o  203.511   1.8019  308.782   5.4674  291.266   7.5350  328.258   7.9456  197.646   2.5570  209.822   2.5398 -12.17592 3.603997 
1 1 1    8    3    7 o  206.797   1.7466  318.834   5.3854  315.326   8.2297  321.461   7.1221  205.645   2.6841  207.641   2.3005 -1.996338 3.535058 
1 1 1    8    3    8 o  691.688   3.6071  3568.02   37.199  3564.16   59.002  3570.57   47.924  691.112   5.7260  691.847   4.6459 -0.7351685 7.373717 
1 1 1    8    3    9 f  194.099   1.9811  280.897   5.7332  274.152   8.7550  285.962   7.5859  191.735   3.0626  195.831   2.5981 -4.095596 4.016152 
1 1 1    8    3   10 f  385.154   2.3667  1106.19   13.591  1117.07   19.304  1095.50   19.138  386.989   3.3456  383.233   3.3494 3.755890 4.734064 
1 1 1    8    3   11 o  116.936   2.5372  101.985   4.4236  101.820   7.5600  102.072   5.4550  116.789   4.3416  116.971   3.1278 -0.1822433 5.350978 
1 1 1    8    3   12 o  332.311   2.0160  823.583   9.9884  859.787   16.992  804.466   12.347  339.414   3.3577  328.394   2.5217 11.01999 4.199168 
1 1 1    8    3   13 o   91.142   2.8605   61.992   3.8871   68.014   6.0448   57.746   5.0758   95.405   4.2495   87.926   3.8718 7.478821 5.748863 
1 1 1    8    3   14 o  113.767   2.5989   96.592   4.4084   88.150   6.4124  104.158   6.0704  108.604   3.9601  118.090   3.4477 -9.486366 5.250628 
1 1 1    8    3   15 o  250.227   2.2134  467.222   8.2579  468.040   15.803  466.915   9.6855  250.126   4.2376  250.099   2.5974 0.2740479E-01 4.970252 
1 1 1    8    3   16 o  141.389   2.4152  149.226   5.0914  177.213   10.817  141.261   5.7706  153.795   4.7174  137.532   2.8141 16.26299 5.492997 
1 1 1    8    3   17 o  166.409   2.3916  206.764   5.9339  218.524   9.7811  199.916   7.4645  170.865   3.8394  163.548   3.0611 7.316803 4.910351 
1 1 1    8    3   18 o   70.805   3.5856   37.657   3.7730   51.030   6.9895   32.158   4.4821   82.011   5.7525   65.243   4.6378 16.76782 7.389220 
1 1 1    8    3   19 o   41.826   6.3755   13.653   3.8502   15.064   10.795   13.447   4.1212   42.649   14.352   41.344   6.9310 1.304962 15.93778 
1 1 1    8    3   20 o  104.463   2.8921   82.016   4.5044   90.589   9.6487   79.627   5.0936  108.196   6.0048  102.797   3.3233 5.399368 6.863091 
1 1 1    8    3   21 o   79.269   3.3903   47.600   4.0069   61.532   8.0367   42.991   4.6225   88.362   6.1382   74.929   4.1539 13.43295 7.411633 
1 1 1    8    4    0 o  440.424   3.9899  1446.96   26.195  1446.96   26.195  1446.96   26.195  440.424   3.9899  440.424   3.9899 0.000000 0.000000 
1 1 1    8    4    1 o  247.698   1.6527  457.447   6.1036  458.496   8.5611  456.362   8.7042  247.966   2.3156  247.387   2.3598 0.5787506 3.306200 
1 1 1    8    4    2 o  437.081   2.4269  1424.52   15.816  1423.61   20.439  1425.89   24.968  436.905   3.1377  437.210   3.8302 -0.3049316 4.951289 
1 1 1    8    4    3 f  275.838   1.6131  567.268   6.6342  578.673   10.319  559.233   8.6614  278.580   2.4845  273.869   2.1212 4.711243 3.266780 
1 1 1    8    4    4 o  265.052   1.6259  523.765   6.4253  519.749   9.7986  526.794   8.5105  264.020   2.4892  265.809   2.1474 -1.789764 3.287469 
1 1 1    8    4    5 o  274.011   1.9939  559.786   8.1458  546.569   12.585  569.315   10.686  270.736   3.1178  276.323   2.5938 -5.587097 4.055622 
1 1 1    8    4    6 o  377.741   2.1495  1063.85   12.106  1047.11   20.769  1072.47   14.898  374.711   3.7175  379.255   2.6347 -4.544464 4.556498 
1 1 1    8    4    7 o  110.118   2.0443   90.408   3.3564   88.985   5.1726   91.444   4.4113  109.239   3.1758  110.742   2.6716 -1.503433 4.150134 
1 1 1    8    4    8 o  281.590   2.2614  591.214   9.4945  631.240   15.880  568.946   11.845  290.928   3.6610  276.222   2.8760 14.70572 4.655575 
1 1 1    8    4    9 o  104.077   2.4434   80.771   3.7916   77.634   5.8618   83.028   4.9718  102.017   3.8537  105.512   3.1604 -3.495071 4.983927 
1 1 1    8    4   10 o  215.728   2.1481  347.030   6.9093  350.049   9.8255  344.078   9.7179  216.636   3.0420  214.781   3.0347 1.855347 4.296813 
1 1 1    8    4   11 o   55.183   4.0264   22.852   3.2899   26.314   5.1315   20.435   4.2869   59.037   5.9090   51.989   5.6198 7.048000 8.154675 
1 1 1    8    4   12 o  203.727   2.0460  309.554   6.2149  317.045   9.7520  304.431   8.0647  206.111   3.1734  202.001   2.6777 4.109924 4.152174 
1 1 1    8    4   13 o  157.913   2.0608  186.008   4.8520  190.462   7.8800  183.288   6.1578  159.719   3.3090  156.725   2.6352 2.993759 4.230121 
1 1 1    8    4   14 f  222.770   2.3405  370.305   7.7740  373.371   11.119  367.373   10.873  223.583   3.3355  221.786   3.2881 1.797272 4.683736 
1 1 1    8    4   15 o  168.135   2.5056  211.016   6.2812  215.827   11.411  208.925   7.5235  169.797   4.5076  167.252   3.0170 2.545181 5.424074 
1 1 1    8    4   16 o  219.910   2.1712  360.919   7.1189  367.813   14.567  358.756   8.1597  221.621   4.4084  219.212   2.4965 2.409058 5.066233 
1 1 1    8    4   17 o  132.215   2.7916  130.614   5.5031  129.400   10.485  131.076   6.4651  131.198   5.3603  132.392   3.2753 -1.193588 6.281729 
1 1 1    8    4   18 o   86.728   3.5360   56.373   4.5724   77.288   9.2104   49.533   5.2673  100.828   6.1562   81.067   4.3740 19.76131 7.551852 
1 1 1    8    4   19 o   61.865   4.1614   28.996   3.8161   32.176   8.2886   28.141   4.2988   63.431   9.0181   60.786   4.7819 2.644787 10.20750 
1 1 1    8    4   20 o   62.311   4.2218   29.612   3.8990   34.312   7.2508   27.699   4.6246   65.558   7.5565   59.895   5.2310 5.662148 9.190425 
1 1 1    8    4   21 o   44.594   5.2740   15.628   3.4387   12.477   6.9064   16.667   3.9652   36.866   11.403   45.761   5.9524 -8.895161 12.86334 
1 1 1    8    5    0 o  118.393   3.5428  104.800   6.2411  104.800   6.2411  104.800   6.2411  118.393   3.5428  118.393   3.5428 0.000000 0.000000 
1 1 1    8    5    1 f  235.022   2.5883  411.878   9.0697  405.976   10.837  425.680   16.572  233.319   3.1151  238.861   4.6534 -5.541199 5.599818 
1 1 1    8    5    2 o  321.155   1.7156  768.977   8.2149  766.093   12.573  771.125   10.851  320.531   2.6309  321.591   2.2631 -1.060669 3.470352 
1 1 1    8    5    3 o  353.947   1.8260  934.033   9.6362  931.007   14.737  936.293   12.736  353.349   2.7972  354.362   2.4106 -1.012604 3.692615 
1 1 1    8    5    4 o  342.321   1.8245  873.672   9.3121  858.349   14.095  885.540   12.405  339.284   2.7864  344.626   2.4142 -5.341583 3.686756 
1 1 1    8    5    5 o  322.680   1.9724  776.302   9.4892  769.355   13.380  783.331   13.460  321.216   2.7938  324.121   2.7852 -2.904663 3.944963 
1 1 1    8    5    6 o  232.876   1.8744  404.327   6.5080  405.602   9.1779  403.037   9.2297  233.232   2.6393  232.493   2.6626 0.7391510 3.749028 
1 1 1    8    5    7 o  298.222   1.8861  663.082   8.3863  651.976   12.812  671.406   11.093  295.691   2.9062  300.076   2.4793 -4.384308 3.820050 
1 1 1    8    5    8 f   77.756   3.4878   45.091   4.0434   39.287   6.6692   48.464   5.0845   72.276   6.2503   80.491   4.2518 -8.215034 7.559392 
1 1 1    8    5    9 o  206.241   1.9436  317.150   5.9767  303.294   9.0044  328.062   7.9907  201.661   2.9948  209.745   2.5552 -8.084564 3.936698 
1 1 1    8    5   10 o  178.452   2.1873  237.475   5.8197  237.910   8.2817  237.051   8.1799  178.587   3.1103  178.266   3.0776 0.3213806 4.375531 
1 1 1    8    5   11 f  115.598   2.3379   99.667   4.0295  103.223   6.3248   97.238   5.2278  117.602   3.6071  114.160   3.0714 3.441933 4.737589 
1 1 1    8    5   12 o  121.888   2.3313  110.827   4.2367  107.572   6.4606  113.283   5.6119  120.030   3.6101  123.203   3.0551 -3.172165 4.729270 
1 1 1    8    5   13 f  239.704   2.0811  428.618   7.4378  433.718   11.534  424.988   9.7315  241.020   3.2096  238.631   2.7352 2.388290 4.216977 
1 1 1    8    5   14 o  217.977   2.1681  354.511   7.0463  350.666   10.818  357.345   9.2865  216.663   3.3488  218.778   2.8469 -2.115173 4.395386 
1 1 1    8    5   15 o  156.301   2.3445  182.338   5.4635  194.859   8.7243  174.259   7.0079  161.445   3.6244  152.734   3.0774 8.711853 4.754633 
1 1 1    8    5   16 o  197.985   2.1985  292.562   6.4897  313.533   13.658  286.447   7.3755  204.577   4.4778  195.867   2.5256 8.709335 5.140937 
1 1 1    8    5   17 f   88.198   3.4637   58.211   4.5548   62.327   8.6059   56.609   5.3683   90.630   6.4101   86.905   4.1430 3.724792 7.632473 
1 1 1    8    5   18 o  113.997   2.9130   97.265   4.9510   94.965   9.6990   98.075   5.7577  111.827   5.8374  114.393   3.3758 -2.565437 6.743267 
1 1 1    8    5   19 o  110.328   2.7647   91.267   4.5477   80.743   9.1545   94.715   5.2401  102.515   6.0157  112.302   3.1295 -9.786545 6.781018 
1 1 1    8    5   20 o   80.244   3.8702   48.815   4.6304   57.464   7.9204   44.324   5.7073   85.735   6.2389   75.857   5.0755 9.878006 8.042736 
1 1 1    8    5   21 f   34.383   6.9773   9.7818   3.4546   10.600   6.9617   9.5145   3.9791   34.028   11.525   33.408   8.0773 0.6200562 14.07347 
1 1 1    8    6    0 o  156.624   3.3325  183.157   7.7743  183.157   7.7743  183.157   7.7743  156.624   3.3325  156.624   3.3325 0.000000 0.000000 
1 1 1    8    6    1 o  579.565   3.0580  2504.81   26.425  2535.26   42.780  2486.02   33.601  582.940   4.9221  577.334   3.9035 5.605957 6.282083 
1 1 1    8    6    2 o  448.221   2.1053  1497.90   14.069  1497.93   21.556  1497.87   18.570  448.186   3.2258  448.195   2.7789 -0.8789063E-02 4.257692 
1 1 1    8    6    3 o  374.594   1.9004  1046.18   10.614  1042.41   16.236  1048.99   14.025  373.892   2.9126  375.082   2.5079 -1.190369 3.843533 
1 1 1    8    6    4 o  553.498   2.6793  2284.33   22.111  2272.83   37.996  2290.22   27.189  551.995   4.6167  554.183   3.2905 -2.187622 5.669318 
1 1 1    8    6    5 o  954.907   4.2652  6801.11   60.725  6891.86   87.184  6715.60   84.630  961.008   6.0847  948.656   5.9833 12.35236 8.533710 
1 1 1    8    6    6 o  698.252   3.2806  3635.80   34.154  3681.91   48.927  3591.99   47.698  702.553   4.6709  693.927   4.6102 8.626160 6.562859 
1 1 1    8    6    7 o  464.186   2.2971  1606.56   15.898  1560.88   23.756  1643.63   21.396  457.487   3.4828  469.478   3.0566 -11.99142 4.633864 
1 1 1    8    6    8 o  132.763   2.3261  131.429   4.6044  133.709   8.3603  130.436   5.5164  133.878   4.1884  132.255   2.7975 1.622864 5.036714 
1 1 1    8    6    9 o  358.433   2.0916  957.984   11.178  946.985   17.024  966.319   14.820  356.313   3.2045  359.957   2.7613 -3.644562 4.230083 
1 1 1    8    6   10 o  114.829   2.7125   98.351   4.6440   85.284   10.181  101.785   5.2186  106.601   6.4357  116.809   2.9964 -10.20773 7.099046 
1 1 1    8    6   11 o  154.964   2.0963  179.100   4.8435  175.340   7.3996  181.919   6.4067  153.281   3.2378  156.154   2.7518 -2.872513 4.249173 
1 1 1    8    6   12 o  108.965   2.4371   88.583   3.9595   87.447   6.0547   89.432   5.2337  108.206   3.7529  109.455   3.2070 -1.248489 4.936521 
1 1 1    8    6   13 o  193.114   2.2954  278.249   6.6090  275.316   11.689  279.627   8.0126  191.918   4.0850  193.554   2.7765 -1.635574 4.939295 
1 1 1    8    6   14 o   81.538   4.0548   49.722   4.9294   0.0000   0.0000   49.722   4.9294  ?   ?    81.538   4.0548 0.000000 4.054771 
1 1 1    8    6   15 o   48.862   5.3259   18.121   3.8172   14.784   6.8150   19.647   4.6079   43.144   10.657   50.745   6.2205 -7.600643 12.33962 
1 1 1    8    6   16 o  163.924   2.4851  200.644   6.0737  185.285   11.469  206.630   7.1601  157.161   4.8946  166.304   2.8876 -9.143723 5.682894 
1 1 1    8    6   17 o   43.784   5.8400   14.707   3.7174   13.768   7.5755   15.005   4.2663   41.399   11.735   44.041   6.7092 -2.642426 13.51760 
1 1 1    8    6   18 o  108.835   2.9904   88.719   4.8526   87.473   9.2690   89.190   5.6954  107.221   5.8199  109.029   3.5036 -1.807045 6.793102 
1 1 1    8    6   19 o   30.311   7.3641   7.4310   3.2952   0.6159   6.8962   9.4474   3.7511   24.369   10.490   34.174   7.5621 -9.805025 12.93132 
1 1 1    8    6   20 o   84.439   3.7850   54.088   4.7652   54.224   8.2071   54.020   5.8527   82.802   6.7054   83.873   4.6991 -1.071281 8.188070 
1 1 1    8    6   21 o   34.904   6.8125   10.086   3.4180   12.386   6.8321   9.3178   3.9476   36.197   11.366   32.915   8.0990 3.281452 13.95616 
1 1 1    8    7    0 o  727.505   5.8843  3948.29   63.818  3948.29   63.818  3948.29   63.818  727.505   5.8843  727.505   5.8843 0.000000 0.000000 
1 1 1    8    7    1 o  744.042   4.2339  4129.17   46.969  4061.08   65.215  4202.56   67.703  737.695   5.9293  750.418   6.0511 -12.72369 8.471824 
1 1 1    8    7    2 o  407.763   2.1775  1239.69   13.238  1221.17   23.542  1248.26   16.010  404.645   3.9021  409.156   2.6243 -4.511230 4.702535 
1 1 1    8    7    3 o  166.219   1.8013  205.988   4.4642  212.207   11.447  204.873   4.8480  168.669   4.5520  165.767   1.9615 2.901291 4.956630 
1 1 1    8    7    4 o  228.654   1.9491  389.801   6.6449  383.934   15.893  391.043   7.3149  226.868   4.6987  229.015   2.1423 -2.147018 5.163989 
1 1 1    8    7    5 o  342.300   2.2804  873.616   11.638  888.673   19.026  864.613   14.712  345.195   3.6967  340.516   2.8977 4.679016 4.697100 
1 1 1    8    7    6 o  469.348   2.4865  1642.54   17.400  1652.18   24.746  1633.10   24.472  470.677   3.5263  467.953   3.5075 2.724182 4.973629 
1 1 1    8    7    7 o  488.242   2.7962  1777.60   20.355  1758.23   26.181  1807.22   32.368  485.527   3.6166  492.188   4.4107 -6.661469 5.703862 
1 1 1    8    7    8 o  397.532   2.1656  1178.37   12.836  1172.57   19.721  1182.62   16.907  396.494   3.3360  398.218   2.8476 -1.723572 4.386082 
1 1 1    8    7    9 f  114.759   2.5035   98.217   4.2836  107.172   8.0293   94.653   5.0646  119.824   4.4943  112.648   3.0154 7.175972 5.412170 
1 1 1    8    7   10 o  112.229   2.7572   93.959   4.6137   80.582   11.253   96.662   5.0585  103.472   7.3416  113.826   2.9806 -10.35464 7.923552 
1 1 1    8    7   11 o  137.342   2.3702  140.710   4.8535  133.641   8.7989  143.802   5.8188  133.741   4.4126  138.824   2.8112 -5.083008 5.232032 
1 1 1    8    7   12 o   67.428   4.3390   34.125   4.3390   31.636   6.2446   36.448   6.0334   64.617   6.5732   69.506   5.8770 -4.889549 8.817367 
1 1 1    8    7   13 o   88.653   3.1232   58.690   4.1282   54.054   7.7366   60.536   4.8812   84.651   6.1723   90.009   3.6372 -5.358215 7.164288 
1 1 1    8    7   14 o   48.715   5.2602   17.997   3.7600   5.2069   6.9911   23.203   4.4599   30.182   11.386   55.350   5.4761 -25.16801 12.63415 
1 1 1    8    7   15 o   36.176   7.3564   10.231   3.8327   21.362   7.0580   5.5762   4.5643   52.227   9.4101   27.851   9.3322 24.37544 13.25293 
1 1 1    8    7   16 o  187.306   2.8817  262.160   8.0476  264.390   17.746  261.582   9.0295  187.254   6.3562  187.042   3.2378 0.2117004 7.133389 
1 1 1    8    7   17 o  141.386   2.7538  149.464   5.8051  156.019   16.809  148.576   6.1857  142.720   7.9304  140.935   2.9437 1.784943 8.459163 
1 1 1    8    7   18 o   64.963   4.7368   32.045   4.5564   31.678   11.984   32.107   4.9264   60.958   13.538   64.925   5.1309 -3.967087 14.47746 
1 1 1    8    7   19 o   70.360   4.0509   37.593   4.2316   57.841   9.2163   32.184   4.7634   85.711   7.2808   64.780   4.9697 20.93099 8.815188 
1 1 1    8    7   20 o   72.953   4.1602   40.723   4.5063   39.040   7.7483   41.584   5.5396   69.386   7.6148   73.251   5.1040 -3.864754 9.167134 
1 1 1    8    8    0 o   99.100   4.6095   73.708   6.7772   73.708   6.7772   73.708   6.7772   99.100   4.6095   99.100   4.6095 0.000000 0.000000 
1 1 1    8    8    1 o  192.491   2.4975  276.272   7.1678  264.813   9.7540  289.725   10.569  188.441   3.4717  197.103   3.5963 -8.661972 4.998549 
1 1 1    8    8    2 o  471.406   3.4294  1657.21   24.104   0.0000   0.0000  1657.21   24.104  ?   ?   471.406   3.4294 0.000000 3.429377 
1 1 1    8    8    3 f  243.829   1.9379  443.259   7.0451  433.270   16.905  445.358   7.7501  241.002   4.7046  244.403   2.1268 -3.400986 5.163004 
1 1 1    8    8    4 o  236.898   1.8303  418.414   6.4648  419.667   11.900  417.890   7.7002  237.224   3.3644  236.745   2.1815 0.4798126 4.009750 
1 1 1    8    8    5 o  335.657   2.2989  840.047   11.505  859.352   18.876  828.636   14.512  339.446   3.7296  333.353   2.9198 6.093689 4.736542 
1 1 1    8    8    6 o  270.732   2.4720  546.530   9.9783  540.139   14.346  552.519   13.888  269.113   3.5753  272.184   3.4223 -3.071686 4.949224 
1 1 1    8    8    7 o  283.872   2.0643  600.847   8.7372  599.239   15.559  601.588   10.559  283.435   3.6818  284.034   2.4934 -0.5997314 4.446636 
1 1 1    8    8    8 o  247.271   2.0620  455.922   7.6023  465.629   13.866  451.750   9.0904  249.822   3.7225  246.124   2.4772 3.698135 4.471410 
1 1 1    8    8    9 o  308.741   2.1804  710.858   10.037  704.888   17.800  713.642   12.153  307.323   3.8846  309.319   2.6352 -1.996552 4.694076 
1 1 1    8    8   10 o  133.192   2.4913  132.333   4.9473  129.454   11.711  132.959   5.4582  131.542   5.9714  133.498   2.7422 -1.956451 6.570973 
1 1 1    8    8   11 o  100.023   2.9110   74.664   4.3412   80.529   10.269   73.388   4.7903  103.422   6.6955   99.151   3.2404 4.271149 7.438423 
1 1 1    8    8   12 o  171.513   2.4668  219.508   6.3082  228.901   10.396  214.035   7.9363  175.010   3.9840  169.311   3.1439 5.698959 5.075071 
1 1 1    8    8   13 o  272.367   2.3152  553.594   9.4017  554.272   16.716  553.281   11.371  272.234   4.1183  272.225   2.8015 0.8178711E-02 4.980837 
1 1 1    8    8   14 o  179.654   2.9540  241.082   7.9126  233.080   16.810  243.360   8.9683  176.012   6.4055  180.452   3.3333 -4.440933 7.220908 
1 1 1    8    8   15 o   24.914   8.5627   4.3177   3.8446   9.9678   7.3519   2.1910   4.5105   36.394   11.830   22.689   8.9823 13.70539 14.85354 
1 1 1    8    8   16 o  104.415   3.3445   81.560   5.2067  100.507   9.8712   74.257   6.1285  115.522   5.7311   99.540   4.1294 15.98232 7.063798 
1 1 1    8    8   17 o   60.261   4.7786   27.511   4.2583   15.981   8.3552   31.557   4.9493   44.141   12.259   64.477   5.1923 -20.33668 13.31294 
1 1 1    8    8   18 o   51.916   5.7146   20.773   4.3502   28.221   11.077   19.415   4.7302   57.219   13.246   49.929   6.5090 7.290039 14.75901 
1 1 1    8    8   19 o   30.944   7.5038   7.8405   3.4263   3.5227   6.6617   9.3936   3.9953   26.481   10.766   33.740   8.0537 -7.259291 13.44523 
1 1 1    8    8   20 o   73.803   3.5675   41.378   3.9256   42.484   7.6293   40.980   4.5781   72.503   7.1508   73.064   4.2205 -0.5617828 8.303430 
1 1 1    8    9    0 o  823.651   9.3083  5065.36  114.277  5065.36  114.277  5065.36  114.277  823.651   9.3083  823.651   9.3083 0.000000 0.000000 
1 1 1    8    9    1 o  205.401   3.0028  314.602   9.1961  327.219   15.720  308.037   11.339  209.428   5.0344  203.232   3.7420 6.196869 6.272768 
1 1 1    8    9    2 o  684.690   3.9409  3496.48   40.231  3576.85   83.194  3471.94   45.963  692.000   8.0634  682.233   4.5186 9.766418 9.243119 
1 1 1    8    9    3 o  258.411   2.0115  497.871   7.7498  485.241   18.452  500.577   8.5396  255.035   4.8525  259.109   2.2105 -4.073639 5.332265 
1 1 1    8    9    4 o  349.830   2.2839  912.483   11.912  957.833   28.909  903.208   13.074  358.282   5.4118  348.041   2.5194 10.24081 5.969508 
1 1 1    8    9    5 o   95.357   2.8090   67.805   3.9936   66.345   6.9519   68.525   4.8791   94.165   4.9692   95.855   3.4139 -1.690239 6.028903 
1 1 1    8    9    6 o  238.515   2.2354  424.190   7.9495  427.885   12.739  421.834   10.174  239.513   3.5672  237.835   2.8690 1.677597 4.577730 
1 1 1    8    9    7 o  312.829   2.3147  729.756   10.796  740.224   17.782  723.644   13.587  314.990   3.7863  311.490   2.9255 3.500092 4.784828 
1 1 1    8    9    8 o  264.154   2.2780  520.364   8.9720  507.365   14.564  528.313   11.390  260.755   3.7462  266.136   2.8704 -5.381042 4.719411 
1 1 1    8    9    9 o  109.951   2.5788   90.177   4.2275   83.043   7.8712   93.069   5.0117  105.425   5.0075  111.688   3.0096 -6.262741 5.842351 
1 1 1    8    9   10 o   68.366   3.3432   34.889   3.4077   29.609   6.2624   37.110   4.0617   62.485   6.8333   70.386   3.8855 -7.900364 7.860693 
1 1 1    8    9   11 f  145.643   2.5581  158.281   5.5548  166.048   9.3919  154.102   6.8889  149.051   4.2262  143.668   3.2160 5.383545 5.310678 
1 1 1    8    9   12 o   64.429   3.7315   31.125   3.5692   33.105   6.7423   30.353   4.2070   66.005   6.9558   63.543   4.4690 2.461998 8.267673 
1 1 1    8    9   13 f  160.241   2.3950  191.650   5.7220  197.134   10.425  189.286   6.8453  162.301   4.3081  159.207   2.8838 3.093475 5.184232 
1 1 1    8    9   14 o   78.207   3.8443   45.759   4.4826   39.964   10.115   47.175   5.0004   71.803   9.6966   79.265   4.2466 -7.461403 10.58568 
1 1 1    8    9   15 o   57.869   4.9065   25.306   4.1935   27.163   7.8480   24.564   4.9612   59.027   9.2187   56.828   5.9433 2.199596 10.96849 
1 1 1    8    9   16 o   77.863   4.4646   45.659   5.1614   38.537   8.4765   49.855   6.5067   70.629   8.2020   81.188   5.4062 -10.55849 9.823455 
1 1 1    8    9   17 o   48.375   6.2431   18.067   4.3978   19.194   7.5720   17.493   5.4024   48.479   10.757   47.094   7.9789 1.385189 13.39305 
1 1 1    8    9   18 o   62.719   4.7435   30.013   4.4030   35.610   10.593   28.844   4.8411   65.194   11.307   61.287   5.3515 3.906769 12.50982 
1 1 1    8    9   19 o   50.716   4.7568   19.846   3.5549   20.469   7.1979   19.645   4.0883   48.783   10.223   50.151   5.5611 -1.367683 11.63780 
1 1 1    8    9   20 o   31.355   7.2064   8.2329   3.2984   3.3168   6.5555   9.8993   3.8167   25.253   10.514   34.234   7.6680 -8.980806 13.01315 
1 1 1    8   10    0 o  511.419   4.6933  1950.95   35.780  1950.95   35.780  1950.95   35.780  511.419   4.6933  511.419   4.6933 0.000000 0.000000 
1 1 1    8   10    1 o  601.870   4.2560  2701.98   38.192  2692.94   46.444  2720.85   67.121  600.784   5.1849  603.629   7.4579 -2.845276 9.083153 
1 1 1    8   10    2 o  312.541   2.2502  728.320   10.486  763.495   17.813  709.670   12.971  319.955   3.7341  308.500   2.8200 11.45569 4.679321 
1 1 1    8   10    3 o  174.721   2.8108  227.640   7.3222  255.337   10.445  200.878   10.267  185.024   3.7864  164.102   4.1964 20.92249 5.652118 
1 1 1    8   10    4 o  175.370   1.7464  229.298   4.5664  230.537   7.1470  228.443   5.9360  175.829   2.7262  175.036   2.2746 0.7927856 3.550502 
1 1 1    8   10    5 o  143.710   2.0993  153.992   4.4981  152.891   6.2490  155.176   6.4799  143.183   2.9272  144.248   3.0129 -1.064590 4.200718 
1 1 1    8   10    6 o  276.540   2.2355  570.253   9.2173  569.782   11.964  570.940   14.457  276.401   2.9032  276.654   3.5048 -0.2532043 4.551118 
1 1 1    8   10    7 o   57.656   3.4122   24.887   2.9202   28.543   4.6407   22.491   3.7572   61.615   5.0974   54.691   4.6518 6.924137 6.900931 
1 1 1    8   10    8 o   88.611   2.7057   58.570   3.5747   50.151   5.9922   63.222   4.4540   81.788   4.9371   92.050   3.2453 -10.26199 5.908182 
1 1 1    8   10    9 o  150.666   2.1949  169.314   4.9306  163.838   8.4543  172.137   6.0697  148.131   3.8279  151.897   2.6801 -3.766220 4.672884 
1 1 1    8   10   10 o   81.908   2.6698   50.062   3.2605   45.607   4.8739   53.671   4.3865   78.010   4.2060   84.780   3.4702 -6.770538 5.452724 
1 1 1    8   10   11 o  211.663   2.1529  334.240   6.7943  325.012   12.020  338.573   8.2364  208.547   3.8657  212.995   2.5936 -4.448029 4.655122 
1 1 1    8   10   12 o  238.504   2.2306  424.471   7.9321  436.447   14.318  419.168   9.5279  241.592   3.9749  236.956   2.6968 4.635498 4.803444 
1 1 1    8   10   13 o   95.762   3.0970   68.514   4.4219   53.593   8.2679   74.492   5.2332   84.110   6.6471   99.821   3.5162 -15.71122 7.519791 
1 1 1    8   10   14 o   98.521   3.3800   72.574   4.9649   82.448   12.569   70.749   5.4044  103.963   8.1748   97.243   3.7275 6.720345 8.984525 
1 1 1    8   10   15 o   81.821   4.1813   50.300   5.0839   51.231   8.6666   49.812   6.2774   81.969   7.1633   81.248   5.2094 0.7207870 8.857249 
1 1 1    8   10   16 o   72.206   4.5491   39.343   4.8724   42.179   8.0819   37.724   6.1070   74.056   7.4193   70.414   5.8706 3.642227 9.460971 
1 1 1    8   10   17 o  176.190   2.7346  232.454   7.1837  249.555   13.138  225.161   8.5799  181.692   4.8498  173.221   3.3221 8.470840 5.878509 
1 1 1    8   10   18 o   39.680   8.5224   12.938   4.8916   9.7249   10.406   13.849   5.5421   35.984   13.814   40.772   9.3201 -4.787628 16.66439 
1 1 1    8   10   19 o   82.582   3.7964   51.819   4.6744   47.193   8.0697   54.154   5.7344   76.736   7.1349   83.938   4.5995 -7.202271 8.488966 
1 1 1    8   10   20 o   98.585   2.9485   73.635   4.3340   75.609   8.3434   72.906   5.0719   97.577   5.7604   97.788   3.4787 -0.2108002 6.729315 
1 1 1    8   11    0 o  213.229   4.1359  339.427   13.138  339.427   13.138  339.427   13.138  213.229   4.1359  213.229   4.1359 0.000000 0.000000 
1 1 1    8   11    1 o  347.370   2.8695  899.825   14.861  876.787   20.518  925.250   21.555  342.845   4.0139  352.188   4.1049 -9.342896 5.741228 
1 1 1    8   11    2 o  482.726   2.8020  1737.69   20.167  1736.27   32.447  1738.58   25.744  482.413   4.5111  482.804   3.5762 -0.3905029 5.756736 
1 1 1    8   11    3 o  332.586   2.2299  824.778   11.057  831.534   19.202  821.426   13.525  333.878   3.8574  331.893   2.7332 1.985382 4.727583 
1 1 1    8   11    4 o  255.850   1.7924  488.060   6.8374  495.417   10.669  482.932   8.9068  257.744   2.7763  254.489   2.3474 3.255554 3.635669 
1 1 1    8   11    5 o  141.002   2.1374  148.250   4.4935  153.059   6.2695  143.170   6.4437  143.255   2.9353  138.546   3.1194 4.709305 4.283307 
1 1 1    8   11    6 o  102.233   2.5230   77.947   3.8458   77.470   5.3802   78.444   5.4992  101.899   3.5413  102.537   3.5971 -0.6370850 5.047725 
1 1 1    8   11    7 o  288.145   1.9168  619.143   8.2350  608.090   12.612  627.357   10.873  285.503   2.9629  290.019   2.5144 -4.516327 3.885965 
1 1 1    8   11    8 o  222.011   1.8908  367.575   6.2589  373.224   9.7335  363.593   8.1726  223.654   2.9189  220.776   2.4828 2.878113 3.832016 
1 1 1    8   11    9 o   71.784   3.0987   38.461   3.3165   42.304   5.8579   36.648   4.0234   75.015   5.2710   69.941   3.8734 5.074036 6.541126 
1 1 1    8   11   10 o  116.886   2.4177  101.943   4.2135   99.250   6.0475  104.484   5.8738  115.274   3.5187  118.286   3.3305 -3.012543 4.844948 
1 1 1    8   11   11 o   84.726   2.7618   53.589   3.4888   51.857   5.4418   54.797   4.5459   83.141   4.4057   85.636   3.5603 -2.495407 5.664428 
1 1 1    8   11   12 o  175.712   2.2967  230.428   6.0170  228.929   10.800  231.103   7.2458  174.915   4.1412  175.924   2.7624 -1.008850 4.977973 
1 1 1    8   11   13 o   46.593   5.3295   16.506   3.6358   15.917   7.1105   16.715   4.2306   44.696   10.792   46.726   6.2277 -2.029713 12.46008 
1 1 1    8   11   14 o   47.014   5.4235   16.827   3.7320   15.129   6.5521   17.643   4.5405   43.576   10.255   47.940   6.5216 -4.364815 12.15337 
1 1 1    8   11   15 o   75.249   4.1601   42.588   4.6493   56.673   8.5307   36.637   5.5452   86.290   6.6827   69.558   5.3889 16.73183 8.584814 
1 1 1    8   11   16 o  123.712   2.9721  114.570   5.4820  135.724   10.633  106.910   6.3980  134.039   5.3203  119.391   3.5942 14.64789 6.420579 
1 1 1    8   11   17 o   45.428   7.5160   16.371   4.9128   5.3173   9.0842   20.941   5.8405   31.536   12.660   51.365   7.8777 -19.82945 14.91081 
1 1 1    8   11   18 o   91.290   3.4708   62.938   4.7241   57.897   8.4745   65.211   5.6903   85.860   6.6723   92.681   4.1179 -6.820824 7.840670 
1 1 1    8   11   19 o   84.519   3.6507   54.331   4.6004   52.081   8.0778   55.411   5.5967   80.588   6.7859   84.849   4.4395 -4.260414 8.109130 
1 1 1    8   12    0 o   14.470   10.106  -7.9159   8.0002  -7.9159   8.0002  -7.9159   8.0002   14.470   10.106   14.470   10.106 0.000000 0.000000 
1 1 1    8   12    1 o  344.966   2.9139  887.477   14.987  877.633   20.828  898.048   21.583  342.985   4.0728  346.945   4.1723 -3.960022 5.830650 
1 1 1    8   12    2 o  162.957   1.6430  197.989   3.9919  197.475   6.5140  198.299   5.0516  162.728   2.6848  163.078   2.0776 -0.3502502 3.394795 
1 1 1    8   12    3 o  401.246   2.2876  1200.54   13.685  1188.55   24.489  1205.99   16.503  399.116   4.1153  402.131   2.7524 -3.015137 4.950898 
1 1 1    8   12    4 o   93.369   2.2742   65.009   3.1659   58.645   4.8471   69.744   4.1810   88.660   3.6668   96.700   2.8999 -8.040688 4.674930 
1 1 1    8   12    5 o  230.569   2.1366  396.439   7.3452  390.581   9.4288  405.482   11.715  228.835   2.7635  233.130   3.3703 -4.294846 4.358405 
1 1 1    8   12    6 o  251.323   2.0379  471.035   7.6363  484.506   10.923  458.156   10.680  254.849   2.8747  247.821   2.8904 7.027664 4.076544 
1 1 1    8   12    7 o  161.255   1.9394  193.925   4.6629  195.525   7.3315  192.837   6.0425  161.875   3.0377  160.781   2.5206 1.093307 3.947297 
1 1 1    8   12    8 o  160.586   1.9691  192.338   4.7145  192.229   7.3488  192.414   6.1460  160.485   3.0712  160.591   2.5668 -0.1058350 4.002640 
1 1 1    8   12    9 o   54.386   3.5635   22.186   2.8736   23.108   4.3939   21.497   3.7985   55.295   5.3985   53.391   4.8238 1.903633 7.239655 
1 1 1    8   12   10 o  172.566   2.0132  222.156   5.1797  222.012   8.0361  222.258   6.7747  172.423   3.1259  172.561   2.6331 -0.1381683 4.087152 
1 1 1    8   12   11 o  266.258   2.2003  529.030   8.7349  531.326   12.629  526.923   12.095  266.692   3.1760  265.605   3.0541 1.086578 4.406219 
1 1 1    8   12   12 o  227.002   2.0738  384.547   7.0189  400.679   11.229  374.201   8.9921  231.540   3.2526  223.848   2.6943 7.691818 4.223592 
1 1 1    8   12   13 o   98.725   2.7919   72.814   4.1096   73.782   6.5814   72.195   5.2614   99.218   4.4489   98.237   3.5922 0.9816360 5.718115 
1 1 1    8   12   14 o  206.399   2.4218  318.156   7.4527  320.050   13.688  317.358   8.8851  206.572   4.4443  206.061   2.8920 0.5112152 5.302407 
1 1 1    8   12   15 o   44.723   6.1759   15.407   4.0082   15.757   7.4003   15.261   4.7682   44.063   11.231   44.183   7.5067 -0.1204758 13.50875 
1 1 1    8   12   16 o   80.397   3.8414   48.585   4.6046   48.558   8.1896   48.598   5.5681   79.341   6.9946   80.117   4.6817 -0.7752457 8.416814 
1 1 1    8   12   17 o   50.280   6.1100   19.705   4.4863   25.876   7.5887   16.390   5.5624   56.239   9.3807   44.839   8.6337 11.40002 12.74904 
1 1 1    8   12   18 o   45.528   6.0403   16.398   3.9990   14.185   7.2303   17.374   4.8000   39.717   11.530   46.363   7.1756 -6.646198 13.58050 
1 1 1    8   12   19 o   28.007   7.7998   6.6801   3.3776   0.4729   5.6921   10.053   4.1961   21.388   9.3639   34.117   8.3231 -12.72860 12.52825 
1 1 1    8   13    0 o  308.195   4.0829  708.769   18.754  708.769   18.754  708.769   18.754  308.195   4.0829  308.195   4.0829 0.000000 0.000000 
1 1 1    8   13    1 o  310.421   2.3426  718.588   10.842  720.964   13.241  713.752   18.887  310.910   2.8564  309.273   4.0960 1.636353 4.993654 
1 1 1    8   13    2 o  254.684   1.6240  483.631   6.1667  478.743   10.301  486.361   7.6986  253.357   2.7270  255.391   2.0218 -2.033798 3.394740 
1 1 1    8   13    3 o  217.379   1.9130  352.355   6.2002  340.598   12.071  356.568   7.2262  213.646   3.7896  218.665   2.2165 -5.019684 4.390174 
1 1 1    8   13    4 o  197.020   1.8355  289.449   5.3920  304.094   8.2126  278.354   7.1485  201.912   2.7280  193.187   2.4818 8.724747 3.688001 
1 1 1    8   13    5 o  172.413   2.0334  221.685   5.2272  226.060   7.2481  216.943   7.5456  174.078   2.7926  170.524   2.9678 3.553772 4.075112 
1 1 1    8   13    6 o  163.435   2.0981  199.219   5.1126  207.383   7.3253  191.465   7.1390  166.713   2.9470  160.185   2.9891 6.528015 4.197615 
1 1 1    8   13    7 o  384.085   2.2863  1100.47   13.093  1091.72   22.520  1104.94   16.092  382.308   3.9507  384.801   2.8049 -2.492889 4.845169 
1 1 1    8   13    8 o  143.870   2.1711  154.413   4.6572  152.860   8.0164  155.205   5.7218  143.045   3.7587  144.213   2.6611 -1.168121 4.605332 
1 1 1    8   13    9 o  125.323   2.5645  117.219   4.7918  114.596   6.2071  121.087   7.5385  123.863   3.3611  127.273   3.9726 -3.410469 5.203689 
1 1 1    8   13   10 o   77.323   2.8935   44.647   3.3359   51.419   5.3453   40.326   4.2693   82.781   4.3460   73.332   3.9189 9.449196 5.851978 
1 1 1    8   13   11 o   50.546   4.4194   19.277   3.2971   11.320   4.8456   26.138   4.4993   37.893   8.7531   58.805   5.1848 -20.91175 10.17339 
1 1 1    8   13   12 o   95.990   2.7702   68.830   3.9647   69.579   6.3991   68.363   5.0510   96.355   4.4542   95.602   3.5436 0.7528381 5.691846 
1 1 1    8   13   13 o  120.282   2.7864  108.101   4.9971  112.125   7.3363  104.619   6.8252  122.349   4.0217  118.203   3.8727 4.145638 5.583156 
1 1 1    8   13   14 o  187.640   2.7319  263.163   7.6430  270.700   12.871  259.058   9.4992  189.870   4.5465  186.032   3.4247 3.838272 5.692054 
1 1 1    8   13   15 o   61.648   4.7296   28.792   4.3141   30.678   8.0568   28.034   5.1081   62.443   8.9062   60.602   5.7209 1.840870 10.58532 
1 1 1    8   13   16 o   73.623   4.1369   41.005   4.5226   34.963   8.6077   43.309   5.3155   66.196   8.9509   75.498   4.7462 -9.302094 10.13140 
1 1 1    8   13   17 o   64.523   4.1819   31.722   4.0014   31.291   6.9272   31.938   4.9019   62.583   7.5784   64.387   5.1492 -1.804825 9.162212 
1 1 1    8   13   18 o   20.241   8.2676   1.8054   3.9514  -1.5867   5.9909   4.4174   5.2570   20.442   9.2328   25.397   9.8008 -4.954847 13.46476 
1 1 1    8   13   19 o   86.404   3.3714   56.928   4.3433   45.132   7.6372   62.568   5.2803   74.007   7.0047   90.225   3.9252 -16.21787 8.029511 
1 1 1    8   14    0 o   87.309   6.7349   57.918   8.6473   57.918   8.6473   57.918   8.6473   87.309   6.7349   87.309   6.7349 0.000000 0.000000 
1 1 1    8   14    1 f  181.732   2.2429  246.304   6.0774  251.351   7.1288  232.879   11.627  183.573   2.6046  176.613   4.4154 6.959366 5.126372 
1 1 1    8   14    2 o   13.644   5.2092   0.9446   1.4746  -3.3569   3.0580   2.2477   1.6832   13.019   6.1266   17.590   5.6549 -4.571485 8.337490 
1 1 1    8   14    3 f  153.101   1.8292  174.792   4.1754  180.873   6.5907  170.715   5.3966  155.709   2.8389  151.289   2.3925 4.420212 3.712548 
1 1 1    8   14    4 f  125.285   1.9962  117.060   3.7288  110.304   6.2289  120.833   4.6550  121.570   3.4365  127.275   2.4530 -5.705574 4.222171 
1 1 1    8   14    5 o  238.505   2.0188  424.262   7.1788  428.631   10.056  419.722   10.251  239.679   2.8140  237.168   2.8991 2.510437 4.040213 
1 1 1    8   14    6 o  227.328   2.0549  385.465   6.9649  383.566   9.7329  387.457   9.9711  226.707   2.8794  227.850   2.9351 -1.142258 4.111700 
1 1 1    8   14    7 o  178.632   2.0823  238.037   5.5458  256.617   10.649  231.122   6.4963  185.325   3.8538  175.994   2.4757 9.330643 4.580510 
1 1 1    8   14    8 o  306.165   2.3259  699.454   10.617  719.549   17.407  687.548   13.399  310.296   3.7624  303.459   2.9614 6.836426 4.788054 
1 1 1    8   14    9 o  111.672   2.5521   93.087   4.2492   96.505   5.9441   89.516   6.0766  113.638   3.5083  109.428   3.7245 4.209190 5.116590 
1 1 1    8   14   10 o   83.411   2.7852   51.959   3.4637   53.805   5.4700   50.723   4.4753   84.662   4.3480   82.361   3.6445 2.301140 5.673419 
1 1 1    8   14   11 o   30.721   6.9603   7.4035   3.1143   16.720   5.5097   3.0292   3.7753   46.278   8.2896   22.626   8.4001 23.65194 11.80163 
1 1 1    8   14   12 o   86.533   2.9658   55.966   3.8265   51.085   6.1516   59.046   4.8869   82.325   5.0360   88.820   3.6903 -6.495102 6.243305 
1 1 1    8   14   13 o   80.642   3.9635   48.730   4.7655   59.230   7.9767   42.902   5.9425   88.396   6.0895   75.328   5.3254 13.06818 8.089574 
1 1 1    8   14   14 o   68.795   3.8384   35.604   3.9214   39.111   6.3550   33.448   4.9832   71.662   6.0032   66.446   5.0682 5.215790 7.856528 
1 1 1    8   14   15 o  119.146   3.0682  106.395   5.4505  103.352   10.012  107.677   6.4977  116.648   5.7567  119.731   3.6398 -3.083214 6.810892 
1 1 1    8   14   16 o   45.538   6.5094   16.297   4.2938   10.211   9.9365   17.695   4.7614   36.474   13.611   47.320   6.9562 -10.84581 15.28529 
1 1 1    8   14   17 o   95.711   3.2870   69.205   4.6906   75.239   8.7518   66.773   5.5560   98.129   6.0108   93.728   3.9758 4.401001 7.206656 
1 1 1    8   14   18 o   28.145   8.2982   6.7788   3.7195   4.2213   6.3746   8.0989   4.5799   25.939   10.537   30.404   9.2656 -4.464966 14.03151 
1 1 1    8   15    0 o   39.625   4.1232   12.089   2.3756   12.089   2.3756   12.089   2.3756   39.625   4.1232   39.625   4.1232 0.000000 0.000000 
1 1 1    8   15    1 o  433.430   2.9848  1401.73   19.288  1397.79   25.556  1406.95   29.402  432.673   3.9616  433.980   4.5440 -1.307587 6.028453 
1 1 1    8   15    2 o  252.547   1.7090  475.617   6.4352  474.960   11.731  475.900   7.6966  252.283   3.1188  252.606   2.0436 -0.3229370 3.728674 
1 1 1    8   15    3 o  113.111   1.9546   95.420   3.2964   89.466   5.2208   99.367   4.2509  109.486   3.1982  115.412   2.4703 -5.925880 4.041181 
1 1 1    8   15    4 o  148.912   1.8262  165.380   4.0545  169.470   6.4811  162.751   5.1971  150.695   2.8846  147.703   2.3599 2.992294 3.726920 
1 1 1    8   15    5 o  109.954   2.0969   90.185   3.4376   87.566   5.2809   92.110   4.5284  108.298   3.2705  111.097   2.7338 -2.799454 4.262644 
1 1 1    8   15    6 o  189.706   2.0850  268.475   5.8973  267.195   8.2153  269.837   8.4706  189.191   2.9124  190.117   2.9883 -0.9263458 4.172787 
1 1 1    8   15    7 o   88.452   2.8496   58.410   3.7581   62.410   6.9751   56.774   4.4609   91.136   5.1543   87.176   3.4321 3.960251 6.192449 
1 1 1    8   15    8 o  153.644   2.0129  176.128   4.6112  177.107   7.1306  175.424   6.0455  153.983   3.1058  153.291   2.6451 0.6922455 4.079585 
1 1 1    8   15    9 o   48.848   4.5589   18.027   3.2819   18.326   4.5028   17.687   4.7935   48.962   6.3153   47.972   6.9004 0.9900932 9.354079 
1 1 1    8   15   10 o   50.086   4.2233   18.921   3.1244   16.144   4.8314   20.917   4.0962   45.663   7.3454   52.514   5.3043 -6.851814 9.060423 
1 1 1    8   15   11 o   34.336   6.3784   9.1704   3.1452   10.498   4.9938   8.2974   4.0492   36.384   9.1999   32.426   8.3310 3.958542 12.41148 
1 1 1    8   15   12 o   64.782   3.7437   31.530   3.6006   27.681   5.7503   34.012   4.6179   60.191   6.5112   67.157   4.6404 -6.966125 7.995613 
1 1 1    8   15   13 o   86.448   4.2295   56.091   5.4515   53.120   7.7640   58.980   7.6563   83.564   6.2774   88.187   5.8562 -4.623039 8.584956 
1 1 1    8   15   14 o   52.510   4.7920   20.958   3.7104   15.097   5.7920   25.037   4.8321   43.331   9.2470   57.211   5.7423 -13.87987 10.88487 
1 1 1    8   15   15 o   78.165   4.2866   46.271   4.9767   50.597   8.5109   44.024   6.1348   80.659   7.1512   75.869   5.4598 4.790138 8.997166 
1 1 1    8   15   16 o   44.996   5.9788   15.899   3.9117   4.9686   6.6900   21.577   4.8219   28.070   10.993   52.391   6.2992 -24.32133 12.67012 
1 1 1    8   15   17 o   38.849   7.2305   12.419   4.0340   5.2140   8.8009   14.336   4.5389   29.398   12.206   41.618   7.5945 -12.22066 14.37590 
1 1 1    8   15   18 o   58.267   4.6998   26.574   4.0482   27.715   7.1647   26.039   4.9065   56.384   8.8108   56.936   5.8636 -0.5519524 10.58362 
1 1 1    8   16    0 o  162.566   2.5867  197.237   6.2660  197.237   6.2660  197.237   6.2660  162.566   2.5867  162.566   2.5867 0.000000 0.000000 
1 1 1    8   16    1 o  156.612   1.8386  182.928   4.2933  184.535   6.2852  181.523   5.8784  157.259   2.6806  155.978   2.5277 1.280579 3.684410 
1 1 1    8   16    2 o  134.316   1.5661  134.537   3.1364  134.141   5.6657  134.712   3.7661  134.067   2.8344  134.393   1.8795 -0.3262787 3.400913 
1 1 1    8   16    3 o  132.908   1.8242  131.751   3.6148  129.919   5.8323  132.894   4.6063  131.928   2.9650  133.464   2.3148 -1.535370 3.761631 
1 1 1    8   16    4 o   62.015   2.7504   28.704   2.5431   31.191   4.2571   27.325   3.1711   64.430   4.4590   60.380   3.5379 4.050098 5.692096 
1 1 1    8   16    5 o  220.434   1.8405  362.453   6.0490  358.063   9.2769  365.699   7.9784  219.006   2.8410  221.372   2.4173 -2.365570 3.730235 
1 1 1    8   16    6 o   97.328   2.6632   70.714   3.8646   70.228   5.2360   71.295   5.7279   96.938   3.6227   97.650   3.9342 -0.7117691 5.348076 
1 1 1    8   16    7 o  163.758   2.3597  200.151   5.7614  221.590   15.477  196.702   6.2076  171.745   6.0440  162.324   2.5649 9.421494 6.565708 
1 1 1    8   16    8 o  107.193   2.3323   85.770   3.7275   82.624   5.7273   88.081   4.9096  105.111   3.6545  108.579   3.0327 -3.468369 4.748996 
1 1 1    8   16    9 o  115.585   2.5781   99.773   4.4430   92.680   6.0774  107.917   6.5119  111.300   3.6623  120.105   3.6365 -8.804276 5.161003 
1 1 1    8   16   10 o  109.980   2.7999   90.381   4.5913   91.818   7.2766   89.431   5.9180  110.660   4.4103  109.314   3.6311 1.346497 5.712709 
1 1 1    8   16   11 f   19.786   7.7994   1.7215   3.3871   2.7084   6.3455   1.3282   4.0054   26.284   10.571   20.505   8.3438 5.779171 13.46689 
1 1 1    8   16   12 o  107.054   2.7783   85.678   4.4345   78.579   6.9097   90.649   5.7824  102.284   4.5309  110.021   3.5250 -7.737152 5.740614 
1 1 1    8   16   13 o   62.310   4.6300   29.383   4.2707   28.931   5.9156   29.875   6.1718   61.367   6.5673   62.318   6.7504 -0.9510880 9.417951 
1 1 1    8   16   14 o   52.774   4.9755   21.258   3.8687   22.161   6.1120   20.654   4.9973   52.968   7.9875   51.543   6.6583 1.424942 10.39876 
1 1 1    8   16   15 o   76.981   4.3576   45.065   4.9810   47.312   11.014   44.487   5.5848   75.883   9.9764   76.273   4.9374 -0.3898621 11.13133 
1 1 1    8   16   16 o   60.973   4.5470   28.599   4.1039   23.817   7.4453   30.686   4.9186   52.747   9.8287   62.829   5.3002 -10.08195 11.16671 
1 1 1    8   16   17 o   47.960   6.9935   18.893   4.8538   9.8946   9.6065   21.977   5.6245   33.274   13.129   51.401   7.5654 -18.12723 15.15278 
1 1 1    8   16   18 o   76.128   3.8286   44.808   4.3318   40.575   7.3696   47.042   5.3545   69.357   7.2331   77.345   4.6650 -7.988045 8.606947 
1 1 1    8   17    0 o  213.494   2.6735  340.118   8.5072  340.118   8.5072  340.118   8.5072  213.494   2.6735  213.494   2.6735 0.000000 0.000000 
1 1 1    8   17    1 o  253.404   1.9621  479.009   7.4131  484.965   10.615  473.339   10.357  254.890   2.7931  251.821   2.7586 3.069595 3.925706 
1 1 1    8   17    2 o  113.659   1.8633   96.363   3.1576   92.484   5.0145   98.911   4.0647  111.294   3.0219  115.131   2.3679 -3.837044 3.839175 
1 1 1    8   17    3 o   76.108   2.1295   43.217   2.4164   48.556   4.4488   40.983   2.8780   80.605   3.7018   74.099   2.6050 6.506020 4.526465 
1 1 1    8   17    4 o   98.038   2.1055   71.713   3.0777   76.876   5.0535   68.669   3.8802  101.440   3.3413   95.908   2.7135 5.532249 4.304357 
1 1 1    8   17    5 o  244.093   1.9589  444.524   7.1290  443.218   10.533  445.629   9.6840  243.619   2.8999  244.315   2.6585 -0.6955109 3.934068 
1 1 1    8   17    6 o   30.966   6.3020   7.4696   2.8106   10.096   3.9536   4.7864   3.9964   35.903   7.6213   25.939   8.7322 9.964516 11.59032 
1 1 1    8   17    7 o  102.694   2.5849   78.750   3.9579   68.135   7.2530   83.251   4.7230   95.155   5.1313  105.557   3.0010 -10.40239 5.944404 
1 1 1    8   17    8 o  106.031   2.3579   83.941   3.7276   87.944   5.8403   81.189   4.8420  108.418   3.6130  104.219   3.1161 4.199181 4.771142 
1 1 1    8   17    9 o   37.149   5.7270   10.626   3.0702   11.907   5.0543   9.8774   3.8649   38.751   8.9313   35.444   7.5450 3.306690 11.69165 
1 1 1    8   17   10 o  113.851   2.7643   96.875   4.6924  104.642   6.7388   89.564   6.5378  118.190   3.8241  109.318   4.0112 8.872635 5.541949 
1 1 1    8   17   11 o   29.651   7.8733   6.9382   3.5391   10.352   6.8235   5.6820   4.1394   36.400   11.347   27.521   8.8703 8.879250 14.40272 
1 1 1    8   17   12 o   26.916   7.9205   5.6495   3.3915   1.4625   5.2883   8.5746   4.4202   23.027   9.5032   32.800   8.8388 -9.772947 12.97826 
1 1 1    8   17   13 o   15.835   7.1093  -1.4852   3.4912  -7.7439   5.4295   2.9267   4.5585   16.027   7.7128   23.473   9.1074 -7.446011 11.93445 
1 1 1    8   17   14 o   32.938   7.9345   8.8049   3.8503   10.895   5.7199   7.0733   5.2065   36.203   10.174   30.040   9.9646 6.163857 14.24113 
1 1 1    8   17   15 o   18.123   7.7710   0.2570   3.7583   4.3946   6.8306  -1.5394   4.5008   27.444   10.992   17.889   8.0484 9.554605 13.62341 
1 1 1    8   17   16 o   15.251   6.8756  -1.2007   3.3048  -8.0928   5.0055   4.1251   4.4002   14.493   7.0739   24.011   9.0381 -9.517483 11.47729 
1 1 1    8   17   17 o   13.582   6.4386  -3.4431   3.4935  -1.7081   5.9959  -4.3348   4.2985   19.791   9.0546   14.841   7.0658 4.950447 11.48524 
1 1 1    8   18    0 o  301.193   2.9355  676.967   13.179  676.967   13.179  676.967   13.179  301.193   2.9355  301.193   2.9355 0.000000 0.000000 
1 1 1    8   18    1 o   70.310   2.3422   36.894   2.4553   37.269   3.6701   36.591   3.3035   70.618   3.4857   69.988   3.1658 0.6302643 4.708763 
1 1 1    8   18    2 o  112.873   2.5061   95.102   4.2176   89.995   8.6434   96.699   4.8319  109.553   5.2916  113.795   2.8479 -4.241463 6.009299 
1 1 1    8   18    3 o   16.709   6.0471   1.7351   1.9369   1.4638   3.6017   1.8456   2.2974   19.918   7.9802   17.733   6.5589 2.184559 10.32969 
1 1 1    8   18    4 o   83.751   2.3392   52.355   2.9209   43.866   4.5092   58.493   3.8340   76.469   3.9686   88.493   2.9059 -12.02484 4.918733 
1 1 1    8   18    5 o   71.966   2.7083   38.679   2.9060   38.606   4.7433   38.724   3.6767   71.650   4.4623   71.968   3.4265 -0.3182068 5.626081 
1 1 1    8   18    6 o  163.087   2.4296  198.593   5.9078  197.867   9.1350  199.115   7.7455  162.609   3.7679  163.210   3.1830 -0.6002808 4.932353 
1 1 1    8   18    7 f  146.736   2.0520  160.712   4.4893  167.796   6.9562  155.655   5.8771  149.816   3.1142  144.341   2.7309 5.474640 4.141980 
1 1 1    8   18    8 o   37.105   5.6255   10.594   3.0146   13.273   4.8925   8.9545   3.8274   41.051   8.2793   33.681   7.7786 7.369408 11.36015 
1 1 1    8   18    9 o   80.883   2.9379   48.915   3.5430   53.231   5.4714   45.798   4.6494   84.113   4.3779   78.063   4.0082 6.049866 5.935650 
1 1 1    8   18   10 o   63.569   4.0821   30.434   3.8486   28.953   5.4104   31.951   5.4756   61.639   5.9616   64.831   5.7235 -3.192383 8.264373 
1 1 1    8   18   11 o   23.701   8.5606   3.6709   3.8789  -5.8363   6.9389   7.9921   4.6781   20.271   9.4375   31.814   9.2855 -11.54294 13.23957 
1 1 1    8   18   12 o  101.936   3.1521   77.878   4.7907   70.364   8.7112   81.137   5.7361   96.005   6.1176  103.942   3.7013 -7.936287 7.150127 
1 1 1    8   18   13 o   21.508   8.0783   2.8112   3.5115  -5.8997   5.4977   8.8141   4.5638   17.121   8.1046   32.885   9.0315 -15.76472 12.13479 
1 1 1    8   18   14 o   34.436   7.7438   9.7100   3.8795   13.429   5.6859   6.4710   5.3064   39.857   9.6674   28.853   10.052 11.00388 13.94601 
1 1 1    8   18   15 o   69.168   3.8107   36.510   3.9148   31.546   6.0137   40.161   5.1572   62.899   6.5066   72.060   4.8280 -9.160820 8.102180 
1 1 1    8   18   16 o   26.275   8.3671   5.8999   3.6915  -0.9566   4.9942   14.158   5.4809   18.862   8.4828   39.729   9.3995 -20.86706 12.66131 
1 1 1    8   18   17 o   47.987   5.4261   18.622   3.8140   14.003   6.5963   20.942   4.6746   37.019   11.084   50.193   6.3915 -13.17411 12.79454 
1 1 1    8   19    0 o   16.768   8.4483   3.0998   2.6089   3.0998   2.6089   3.0998   2.6089   16.768   8.4483   16.768   8.4483 0.000000 0.000000 
1 1 1    8   19    1 o  205.928   1.9606  316.433   6.0197  314.405   8.5345  318.442   8.4920  205.169   2.7900  206.486   2.7584 -1.317322 3.923309 
1 1 1    8   19    2 o  102.222   2.6359   78.034   4.0173   80.309   8.5984   77.398   4.5438  103.236   5.6072  101.779   2.9943 1.457176 6.356603 
1 1 1    8   19    3 o   59.119   3.4217   26.222   3.0032   33.037   4.2883   19.662   4.2072   66.264   4.3649   50.841   5.6455 15.42367 7.136101 
1 1 1    8   19    4 o   62.252   3.3633   29.063   3.1101   30.618   4.3301   27.407   4.4699   63.741   4.5870   60.220   5.0242 3.520321 6.803173 
1 1 1    8   19    5 o  101.676   3.5820   77.358   5.4302   74.479   6.3915   84.831   10.296   99.683   4.3004  105.814   6.5582 -6.130562 7.842396 
1 1 1    8   19    6 o  116.016   2.5668  100.548   4.4400   96.896   5.8966  105.329   6.7471  113.791   3.4756  118.593   3.8158 -4.802238 5.161366 
1 1 1    8   19    7 o   60.495   4.1214   27.564   3.6953   24.722   5.1845   30.498   5.2682   56.893   6.2129   63.381   5.6336 -6.487236 8.386803 
1 1 1    8   19    8 o   14.278   6.5938  -2.5901   3.2853  -4.0245   4.3324  -0.6492   5.0396   15.887   7.4166   20.410   8.8758 -4.523799 11.56659 
1 1 1    8   19    9 o  155.516   3.4028  181.102   7.8900  181.102   7.8900   0.0000   0.0000  155.516   3.4028  ?   ?  0.000000 3.402764 
1 1 1    8   19   10 o   81.615   3.7121   49.956   4.5171   50.362   6.0402   49.442   6.8042   81.601   4.9885   80.676   5.6932 0.9255600 7.569559 
1 1 1    8   19   11 o   42.153   5.7854   13.719   3.5401   20.959   6.0185   9.8888   4.3776   51.576   8.0929   35.085   8.4657 16.49141 11.71160 
1 1 1    8   19   12 o   43.548   6.2606   14.789   3.9480   8.4838   7.5037   17.202   4.6426   33.570   11.931   46.841   6.8499 -13.27188 13.75757 
1 1 1    8   19   13 f   40.209   6.5633   12.824   3.7989   13.035   6.7496   12.726   4.5960   38.968   11.088   39.496   8.0772 -0.5281372 13.71785 
1 1 1    8   19   14 o   36.088   8.6730   11.043   4.6087   7.3510   6.7642   14.243   6.2964   30.429   11.254   40.178   10.422 -9.749195 15.33889 
1 1 1    8   19   15 o   52.457   5.1358   21.642   3.9653   23.078   7.2159   21.021   4.7461   50.922   9.8605   50.990   6.3826 -0.6824112E-01 11.74594 
1 1 1    8   19   16 o   32.201   7.1508   8.9055   3.3438   9.7053   5.0534   8.2826   4.4597   32.109   9.7211   30.028   9.1414 2.081017 13.34411 
1 1 1    8   20    0 o   46.390   4.5584   16.540   3.0830   16.540   3.0830   16.540   3.0830   46.390   4.5584   46.390   4.5584 0.000000 0.000000 
1 1 1    8   20    1 o   37.743   3.8238   10.773   2.1221   9.7430   3.2285   11.557   2.8158   35.423   6.3459   38.924   4.9649 -3.500961 8.057368 
1 1 1    8   20    2 o   76.478   2.5781   43.690   2.9397   44.577   4.4989   43.028   3.8834   77.050   3.9293   75.838   3.4344 1.212280 5.218664 
1 1 1    8   20    3 o  154.502   2.0251  178.182   4.6650  183.949   7.0606  173.714   6.2147  156.860   3.0190  152.472   2.7337 4.387726 4.072792 
1 1 1    8   20    4 f   70.834   3.4222   37.547   3.6142   43.312   5.5878   33.400   4.7389   75.758   4.9746   66.515   4.8110 9.243584 6.920434 
1 1 1    8   20    5 o  150.513   2.2765  169.184   5.1087  170.778   10.030  168.626   5.9366  150.840   4.4597  150.217   2.6506 0.6230164 5.187958 
1 1 1    8   20    6 o   24.123   7.1560   4.4841   2.7591  -0.2465   4.3346   7.7061   3.5773   19.300   8.3119   31.210   7.7283 -11.91094 11.34966 
1 1 1    8   20    7 o   17.551   7.0329   1.1622   2.7978   1.5087   4.3550   0.9188   3.6508   21.394   8.7024   19.160   7.9003 2.234648 11.75355 
1 1 1    8   20    8 o   86.806   2.8826   56.364   3.7308   64.382   5.8217   50.777   4.8598   92.597   4.2168   82.268   3.9620 10.32858 5.786096 
1 1 1    8   20    9 o   42.478   5.4767   13.851   3.3878   8.7644   4.9531   18.322   4.6440   33.180   9.5174   48.687   6.5648 -15.50780 11.56186 
1 1 1    8   20   10 o   18.848   7.7103   1.0911   3.4433   4.9356   4.9228  -2.5915   4.8180   26.866   9.6514   18.058   8.2054 8.807884 12.66798 
1 1 1    8   20   11 o   98.042   2.9042   72.071   4.2453   73.491   6.5860   71.062   5.5529   98.615   4.4793   97.147   3.8337 1.467819 5.895868 
1 1 1    8   20   12 o   13.937   6.4807  -2.6824   3.2560   0.0916   5.1767  -4.4980   4.1881   20.938   9.0504   14.956   7.0780 5.982615 11.48944 
1 1 1    8   20   13 o  114.566   2.6886   98.735   4.5925  107.569   7.4586   93.340   5.8285  118.809   4.2105  111.036   3.5206 7.773041 5.488469 
1 1 1    8   20   14 o   36.214   7.6936   11.064   4.0259   9.5294   5.3356   13.092   6.1347   32.631   10.011   37.821   10.504 -5.190063 14.51102 
1 1 1    8   20   15 o   15.215   6.7870  -0.6177   3.1276  -0.7012   4.7131  -0.5520   4.1807   18.395   8.2593   17.546   7.8353 0.8488617 11.38458 
1 1 1    8   20   16 o   37.028   7.8807   12.312   4.2172   4.3940   6.5398   17.949   5.5178   24.643   10.396   44.149   8.6918 -19.50609 13.55090 
1 1 1    8   21    0 o  245.004   2.8976  448.204   10.582  448.204   10.582  448.204   10.582  245.004   2.8976  245.004   2.8976 0.000000 0.000000 
1 1 1    8   21    1 o  107.755   2.7077   86.782   4.3502   66.250   10.009   91.564   4.8302   93.142   7.2648  110.659   2.9276 -17.51743 7.832497 
1 1 1    8   21    2 o   94.461   3.0459   66.740   4.2899   49.998   8.5884   72.306   4.9519   80.847   7.2002   98.284   3.3792 -17.43689 7.953756 
1 1 1    8   21    3 o   59.655   4.5936   26.890   4.0542   23.034   5.2366   32.659   6.4056   54.787   6.5399   65.334   6.6693 -10.54652 9.340759 
1 1 1    8   21    4 o   61.709   3.6538   28.631   3.3468   33.007   5.9068   26.562   4.0617   65.808   6.0891   59.274   4.6328 6.534771 7.651092 
1 1 1    8   21    5 o  190.463   1.9900  270.856   5.6511  274.279   8.7860  268.441   7.3803  191.455   3.0779  189.505   2.6121 1.949768 4.036887 
1 1 1    8   21    6 o  142.319   2.1917  151.295   4.6507  155.236   7.2469  148.536   6.0642  143.966   3.3762  140.913   2.8864 3.052704 4.441787 
1 1 1    8   21    7 o   81.125   2.9297   49.246   3.5437   42.513   5.3072   54.664   4.7603   74.996   4.7711   85.370   3.7399 -10.37385 6.062230 
1 1 1    8   21    8 o  119.666   2.6666  107.123   4.7577  101.699   6.6124  112.945   6.8507  116.388   3.8105  122.669   3.7457 -6.280708 5.343204 
1 1 1    8   21    9 o   63.757   3.7284   30.646   3.5288   31.953   5.4592   29.707   4.6249   64.630   5.7246   62.490   5.0059 2.139576 7.604607 
1 1 1    8   21   10 o   86.176   3.3626   55.801   4.3205   61.535   6.2735   50.628   5.9588   90.045   4.6890   81.578   4.9221 8.466721 6.798100 
1 1 1    8   21   11 o   88.196   3.3201   58.567   4.3658   61.753   8.1085   57.265   5.1809   89.322   6.1256   87.019   3.9932 2.302498 7.312199 
1 1 1    8   21   12 f   47.779   4.9852   17.706   3.4990   22.449   5.6730   14.793   4.4453   52.721   7.4226   42.719   7.2376 10.00166 10.36717 
1 1 1    8   21   13 o   20.854   7.6917   3.0671   3.1551   3.2690   5.0195   2.9352   4.0568   23.493   9.4179   21.827   8.5572 1.666328 12.72488 
1 1 1    8   21   14 o   38.599   6.9242   12.482   3.8385   10.328   5.1335   15.213   5.7808   33.415   9.7196   40.727   9.6651 -7.311642 13.70710 
1 1 1    8   21   15 o   29.027   7.7502   7.5558   3.4171   4.7544   5.1587   9.7460   4.5614   24.311   9.6119   32.085   9.1100 -7.773872 13.24312 
1 1 1    8   22    0 o   9.4299   6.4803  -2.0882   2.9667  -2.0882   2.9667  -2.0882   2.9667   9.4299   6.4803   9.4299   6.4803 0.000000 0.000000 
1 1 1    8   22    1 o  193.700   2.9634  280.707   8.5583  308.665   22.993  276.211   9.2209  201.080   7.6692  192.080   3.2197 8.999725 8.317625 
1 1 1    8   22    2 o   72.467   2.9249   39.287   3.1603   41.522   5.0408   37.840   4.0565   74.172   4.5806   70.926   3.8504 3.245789 5.983923 
1 1 1    8   22    3 f   71.171   3.4585   37.952   3.6700   37.132   4.7553   39.159   5.7712   70.122   4.5734   71.834   5.4286 -1.711769 7.098296 
1 1 1    8   22    4 o   99.340   2.5104   73.768   3.7183   73.104   5.6983   74.261   4.9069   98.706   3.8720   99.571   3.3052 -0.8655701 5.090855 
1 1 1    8   22    5 o   97.387   2.5235   70.907   3.6642   81.182   5.7490   63.877   4.7552  104.033   3.7064   92.318   3.4547 11.71410 5.066764 
1 1 1    8   22    6 o  108.495   2.4915   88.015   4.0304   88.464   6.1452   87.677   5.3391  108.557   3.7967  108.163   3.3107 0.3942871 5.037428 
1 1 1    8   22    7 o   39.928   5.3409   12.269   3.0998   12.332   4.4854   12.212   4.2889   39.370   7.9157   39.255   7.6026 0.1146545 10.97533 
1 1 1    8   22    8 o   71.276   3.2780   38.124   3.4835   39.695   5.2383   36.879   4.6644   72.280   4.8895   69.757   4.5089 2.522331 6.651134 
1 1 1    8   22    9 o  102.488   2.7759   78.755   4.2418   81.488   6.4023   76.616   5.6631  103.891   4.1332  100.845   3.7664 3.046333 5.591900 
1 1 1    8   22   10 o   60.076   4.3382   27.514   3.8597   28.774   5.4203   26.218   5.4973   60.820   6.0579   57.856   6.4844 2.963722 8.873860 
1 1 1    8   22   11 f   81.168   3.6536   49.924   4.4216   39.258   8.7967   53.530   5.1146   68.992   8.7481   83.877   4.0898 -14.88433 9.656911 
1 1 1    8   22   12 o   74.685   3.4076   42.367   3.7945   38.688   5.7604   45.186   5.0432   70.115   5.5557   76.521   4.4394 -6.406281 7.111556 
1 1 1    8   22   13 o   88.723   3.2237   59.946   4.2645   52.651   6.0351   67.221   6.0268   81.846   4.9690   93.160   4.3390 -11.31403 6.596829 
1 1 1    8   22   14 o   28.036   8.1322   7.1114   3.5981   6.5608   5.2483   7.5997   4.9425   26.814   9.9143   28.342   9.7101 -1.527718 13.87724 
1 1 1    8   23    0 o   48.984   5.0801   18.536   3.6188   18.536   3.6188   18.536   3.6188   48.984   5.0801   48.984   5.0801 0.000000 0.000000 
1 1 1    8   23    1 o   74.968   3.4318   42.129   3.8359   50.602   9.6533   40.540   4.1801   80.782   8.1249   73.393   3.8333 7.389389 8.983793 
1 1 1    8   23    2 o   28.545   6.0659   6.4069   2.5021   3.0748   3.8974   8.7430   3.2633   22.728   8.5156   33.306   6.8015 -10.57855 10.89847 
1 1 1    8   23    3 o   55.699   3.8741   23.407   3.1972   28.884   4.5270   17.956   4.5161   61.684   4.9644   48.191   6.4469 13.49252 8.136750 
1 1 1    8   23    4 o   37.167   5.7176   10.700   3.0669   9.5222   4.4297   11.785   4.2504   34.433   8.6418   38.555   7.6638 -4.122421 11.55056 
1 1 1    8   23    5 o  100.219   2.5729   75.147   3.8445   73.983   5.6686   76.139   5.2317   99.221   3.8318  100.727   3.4836 -1.505089 5.178586 
1 1 1    8   23    6 o   34.154   6.9486   9.2510   3.4179   6.6650   7.0493   10.046   3.9081   31.196   11.499   35.459   7.6190 -4.263367 13.79365 
1 1 1    8   23    7 o  163.164   2.2902  199.188   5.5714  193.232   7.9574  204.915   7.8032  160.384   3.3277  165.220   3.1677 -4.836166 4.594304 
1 1 1    8   23    8 o   21.978   8.1604   3.0885   3.5630   2.0816   4.7033   4.4447   5.4584   22.365   9.0631   26.444   10.040 -4.079721 13.52566 
1 1 1    8   23    9 o   32.853   6.6684   8.6772   3.1548   6.6257   4.8448   10.188   4.1569   28.837   9.6145   35.187   8.0924 -6.349821 12.56679 
1 1 1    8   23   10 o   36.814   6.6801   10.960   3.5315   9.3640   5.2844   12.249   4.7474   32.961   9.9322   38.127   8.5609 -5.165394 13.11253 
1 1 1    8   23   11 o   28.226   7.4486   6.7183   3.1803   6.2306   4.8609   7.0833   4.2052   27.407   9.6162   28.692   8.9020 -1.285110 13.10403 
1 1 1    8   23   12 o   19.037   7.7860   1.7658   3.5102   5.3493   4.7220  -2.6605   5.2479   25.516   9.4100   17.863   8.2793 7.652292 12.53372 
1 1 1    8   23   13 o   54.560   4.7374   23.638   3.8155   26.374   5.4670   21.039   5.3275   56.045   6.6737   49.321   7.4794 6.724472 10.02393 
1 1 1    8   23   14 o   47.986   5.6131   19.125   3.9401   22.119   5.6502   16.291   5.4971   49.289   7.9598   40.845   9.2424 8.443645 12.19752 
1 1 1    8   24    0 o   34.466   16.409   13.649   9.6318   13.649   9.6318   13.649   9.6318   34.466   16.409   34.466   16.409 0.000000 0.000000 
1 1 1    8   24    1 o   44.708   4.0962   15.165   2.7001   12.117   3.9091   17.946   3.7339   39.247   6.9339   48.416   5.2571 -9.168320 8.701529 
1 1 1    8   24    2 o   39.400   6.8145   12.196   3.8582   9.5112   4.1147   31.738   11.101   34.404   8.1473   61.617   12.511 -27.21257 14.92996 
1 1 1    8   24    3 o   29.373   6.7584   6.8620   2.8983   10.129   4.1892   3.8629   4.0139   35.498   8.0947   24.047   8.7048 11.45133 11.88682 
1 1 1    8   24    4 o  125.013   2.4360  116.954   4.5405  115.965   6.5376  117.876   6.3109  124.222   3.5298  125.283   3.3785 -1.061462 4.886107 
1 1 1    8   24    5 o   43.024   4.5590   14.153   2.8799   13.587   4.4673   14.555   3.7672   41.292   7.5339   43.255   6.0032 -1.963352 9.633222 
1 1 1    8   24    6 o   99.409   3.0934   74.236   4.5849   70.380   8.7217   75.709   5.3897   95.539   6.1555  100.253   3.6058 -4.713242 7.133879 
1 1 1    8   24    7 o   19.657   7.4181   2.3355   2.9684   1.6288   4.5648   2.8533   3.9073   21.474   8.8419   22.036   8.4640 -0.5621872 12.23998 
1 1 1    8   24    8 o   14.186   6.6366  -3.0795   3.4990  -0.4584   4.5533  -6.8592   5.4679   19.019   8.3496   16.279   7.8095 2.739624 11.43257 
1 1 1    8   24    9 f   75.543   3.3118   43.203   3.7302   44.633   5.6868   42.123   4.9419   75.867   5.0564   73.992   4.5010 1.875008 6.769537 
1 1 1    8   24   10 o   35.893   6.5793   10.592   3.3912   15.023   5.8675   8.3689   4.1555   40.904   9.7575   30.960   8.6620 9.944365 13.04757 
1 1 1    8   24   11 o   29.787   7.6154   7.7143   3.3952   6.3766   5.8684   8.3873   4.1626   27.359   10.405   30.538   8.7137 -3.178757 13.57162 
1 1 1    8   24   12 o   59.758   4.4845   28.187   3.9664   25.407   5.4003   31.443   5.8448   54.870   6.7430   61.346   6.4886 -6.476913 9.357934 
1 1 1    8   24   13 o   16.516   7.1927   0.5626   3.3191   1.4160   4.8168  -0.2090   4.5801   19.696   8.6186   17.871   8.0722 1.824148 11.80851 
1 1 1    8   25    0 o   34.162   16.878   13.758   10.318   13.758   10.318   13.758   10.318   34.162   16.878   34.162   16.878 0.000000 0.000000 
1 1 1    8   25    1 o   14.131   6.5917  -3.0206   3.4117   0.3262   3.5969 -33.0353   10.772   18.066   7.6706   17.342   8.7555 0.7243824 11.64027 
1 1 1    8   25    2 o   12.533   6.0923  -6.0550   3.6087  -3.5291   3.8430 -24.9015   10.497   14.856   6.9516   18.716   9.3330 -3.860672 11.63744 
1 1 1    8   25    3 o   72.948   3.1254   39.983   3.3993   34.890   4.8092   45.067   4.8053   67.625   4.8010   77.097   4.1962 -9.471718 6.376337 
1 1 1    8   25    4 o   36.904   5.7224   10.665   3.0466   12.090   4.6048   9.5548   4.0630   38.488   8.2707   34.200   8.0941 4.288380 11.57234 
1 1 1    8   25    5 o   19.518   7.5210   2.1397   3.0923  -5.7169   4.5296   8.9977   4.2319   14.958   7.1578   32.984   8.5387 -18.02566 11.14192 
1 1 1    8   25    6 o   74.686   4.3401   42.585   4.8120   12.102   13.384   47.110   5.1568   38.660   15.420   78.531   4.4223 -39.87037 16.04160 
1 1 1    8   25    7 o   37.785   5.9606   11.369   3.2466   21.199   5.4734   6.0333   4.0327   51.106   7.3985   27.134   8.7562 23.97169 11.46337 
1 1 1    8   25    8 o   52.399   4.8610   21.399   3.7544   21.231   4.9598   21.625   5.7456   51.255   6.6467   51.023   7.8005 0.2319946 10.24820 
1 1 1    8   25    9 o   88.534   3.0680   59.504   4.0499   49.152   5.6381   70.538   5.8211   79.323   4.7897   95.737   4.0781 -16.41379 6.290599 
1 1 1    8   25   10 o   71.522   3.9734   39.652   4.2204   49.610   7.7578   35.467   5.0298   77.290   6.8013   66.819   5.0869 10.47069 8.493172 
1 1 1    8   25   11 o   17.925   7.2833   1.7835   3.0464  -0.1558   4.7400   3.1484   3.9765   18.495   8.2950   21.124   8.4113 -2.628616 11.81345 
1 1 1    8   25   12 o   37.299   6.7688   12.214   3.6256   14.465   5.0601   9.8398   5.1974   38.513   8.9778   30.592   9.9467 7.921690 13.39914 
1 1 1    8   26    0 o   76.474   9.4443   46.853   10.327   46.853   10.327   46.853   10.327   76.474   9.4443   76.474   9.4443 0.000000 0.000000 
1 1 1    8   26    1 o   39.932   6.6141   12.698   3.8001   15.457   4.1555  -1.3930   9.3908   44.186   6.5021   26.107   11.695 18.07949 13.38060 
1 1 1    8   26    2 o   47.853   5.8487   17.916   4.0861   17.037   4.4263   22.982   10.628   46.362   6.5887   49.764   13.828 -3.401291 15.31752 
1 1 1    8   26    3 o   45.511   4.5114   15.936   3.0209   16.655   4.6516   15.412   3.9727   45.560   7.0775   44.153   6.2061 1.407143 9.413170 
1 1 1    8   26    4 o   26.933   7.4556   5.9606   3.0958   11.108   4.5525   1.5332   4.2223   36.365   8.5417   20.528   8.4832 15.83791 12.03850 
1 1 1    8   26    5 o  101.950   2.9144   78.388   4.4301   70.485   8.7605   81.103   5.1350   94.559   6.2490  103.520   3.3270 -8.960167 7.079435 
1 1 1    8   26    6 o   53.512   4.2201   22.076   3.3397   26.756   5.6528   19.566   4.1394   57.578   6.7105   49.695   5.6893 7.883583 8.797651 
1 1 1    8   26    7 o   17.332   7.0824   1.2838   2.9012   1.2167   4.5372   1.3302   3.7735   20.208   8.5984   19.048   7.9577 1.159906 11.71571 
1 1 1    8   26    8 o   41.010   5.2495   13.468   3.1361   17.123   4.8595   10.859   4.1055   44.814   7.5407   35.218   8.0007 9.595791 10.99421 
1 1 1    8   26    9 o   77.358   4.9186   47.545   5.6436   62.137   7.2053   24.384   9.0778   87.765   5.5347   47.309   12.632 40.45639 13.79141 
1 1 1    8   26   10 o   48.067   5.1526   18.772   3.6351   20.177   6.9192   18.236   4.2722   44.394   10.600   46.433   6.3365 -2.038597 12.34938 
1 1 1    8   26   11 o   22.127   7.6755   4.4334   3.0926   3.0757   4.7800   5.4109   4.0559   21.120   8.8977   23.884   8.7343 -2.764517 12.46822 
1 1 1    8   27    0 o   17.876   9.6243   3.5933   3.5522   3.5933   3.5522   3.5933   3.5522   17.876   9.6243   17.876   9.6243 0.000000 0.000000 
1 1 1    8   27    1 o   80.334   3.7337   49.087   4.4721   53.414   5.0471   33.273   9.6477   83.655   4.0465   61.148   10.986 22.50719 11.70744 
1 1 1    8   27    2 o   21.941   7.2004   3.8029   2.7213   8.2670   4.1486   0.4315   3.6053   31.049   8.6434   17.802   7.6217 13.24761 11.52383 
1 1 1    8   27    3 o   29.008   6.8088   6.9817   2.8943   7.0361   4.4331   6.9414   3.8211   28.667   9.1733   28.518   8.4116 0.1497116 12.44606 
1 1 1    8   27    4 o   72.621   3.4736   40.157   3.7611   42.940   5.4336   37.597   5.2113   74.163   4.9423   69.289   5.0799 4.873787 7.087413 
1 1 1    8   27    5 o   26.462   6.9268   5.9170   2.7648   5.3077   4.4016   6.3141   3.5533   25.414   9.1266   27.024   8.1447 -1.610415 12.23242 
1 1 1    8   27    6 o   15.283   6.5276   0.4008   2.6332   3.4788   4.2751  -1.4807   3.3424   22.357   8.7785   14.819   6.7725 7.538467 11.08731 
1 1 1    8   27    7 o   43.502   4.8871   15.114   3.1150   14.762   4.8567   15.359   4.0600   40.616   8.3004   42.766   6.5781 -2.150204 10.59090 
1 1 1    8   27    8 o   15.629   6.8066   0.2612   2.9727  -1.8355   4.2440   2.2806   4.1651   16.166   7.4759   20.138   8.3822 -3.971943 11.23166 
1 1 1    8   27    9 o   40.139   5.8469   13.571   3.3964   19.540   5.9371   10.667   4.1409   44.850   9.1875   33.550   8.3191 11.29931 12.39428 
1 1 1    8   27   10 o   39.208   6.3101   13.448   3.5636   9.9997   6.4191   14.984   4.2846   28.955   10.913   40.366   7.3914 -11.41086 13.18056 
1 1 1    8   28    0 o   15.830   9.2220   2.5359   3.5983   2.5359   3.5983   2.5359   3.5983   15.830   9.2220   15.830   9.2220 0.000000 0.000000 
1 1 1    8   28    1 o   34.114   5.3979   9.3892   2.6541   11.947   3.8655   7.1076   3.6508   37.590   7.1584   28.443   8.1745 9.146765 10.86580 
1 1 1    8   28    2 o   14.746   6.3237   0.2668   2.4890  -1.9131   3.7866   1.9251   3.3027   15.473   7.1217   18.875   7.6137 -3.402446 10.42525 
1 1 1    8   28    3 o   19.012   6.9676   2.6546   2.5831   6.0051   4.0155   0.2893   3.3739   26.113   8.7532   16.755   7.2742 9.358606 11.38124 
1 1 1    8   28    4 o   65.382   3.4293   32.884   3.3313   35.944   4.9538   30.357   4.5010   67.241   4.9765   61.810   4.9249 5.431316 7.001427 
1 1 1    8   28    5 o   18.560   7.1409   2.3771   2.7842  -3.0300   4.2963   6.2918   3.6557   15.456   7.2701   26.316   8.3206 -10.85956 11.04928 
1 1 1    8   28    6 o   28.385   6.2855   6.9201   2.5899   9.9209   4.4065   5.3365   3.2012   32.202   8.8871   24.346   7.7957 7.856035 11.82173 
1 1 1    8   28    7 o   22.378   7.5266   4.4729   2.9691   5.7338   4.6207   3.5861   3.8749   24.691   9.2681   21.252   8.3534 3.438734 12.47706 
1 1 1    8   28    8 o   30.404   7.3731   8.5789   3.3079   8.8584   5.6497   8.4332   4.0804   28.215   10.310   28.952   8.7285 -0.7374363 13.50853 
1 1 1    8   28    9 o   16.910   7.0752   1.6533   2.9895   4.8899   4.5174  -0.8684   3.9874   22.468   8.9594   15.778   7.2788 6.689827 11.54347 
1 1 1    8   29    0 o   18.614   9.9682   4.1578   3.7916   4.1578   3.7916   4.1578   3.7916   18.614   9.9682   18.614   9.9682 0.000000 0.000000 
1 1 1    8   29    1 o   48.081   4.0297   18.164   2.8621   18.106   4.1336   18.217   3.9669   46.532   6.1055   46.924   5.7930 -0.3920670 8.416416 
1 1 1    8   29    2 o   25.966   6.5665   5.8784   2.5438   9.8515   3.9218   2.9926   3.3423   32.705   8.0879   20.104   7.7989 12.60087 11.23551 
1 1 1    8   29    3 o   32.630   5.5882   8.8903   2.6209   7.0219   3.9551   10.353   3.4995   27.147   8.6624   34.218   7.0922 -7.071331 11.19538 
1 1 1    8   29    4 o   20.825   7.2398   3.7319   2.7523  -0.5708   4.1107   7.2280   3.7054   16.763   7.6024   27.531   8.3217 -10.76846 11.27150 
1 1 1    8   29    5 o   64.319   4.2779   33.008   4.0790   28.878   7.2716   34.904   4.9272   54.069   9.3590   65.256   5.1048 -11.18765 10.66069 
1 1 1    8   29    6 o   45.447   4.0837   16.530   2.7376   25.626   4.7798   12.089   3.3396   54.680   5.9593   37.184   6.2453 17.49659 8.632354 
1 1 1    8   29    7 o   24.728   7.0605   5.7878   2.7320   11.870   4.5430   2.3419   3.4194   33.692   8.9080   18.381   7.6182 15.31042 11.72130 
1 1 1    8   30    0 o   63.021   10.040   35.090   8.7168   35.090   8.7168   35.090   8.7168   63.021   10.040   63.021   10.040 0.000000 0.000000 
1 1 1    8   30    1 o   22.128   6.8875   4.4596   2.5150   6.9823   3.6727   2.2321   3.4512   26.555   8.3325   18.548   7.6676 8.007347 11.32354 
1 1 1    8   30    2 o   25.094   6.6783   5.7418   2.5426   8.3848   3.8034   3.6062   3.4189   29.012   8.3453   20.504   7.9062 8.507677 11.49575 
1 1 1    8   30    3 o   24.301   6.8586   5.4760   2.5935   7.5418   3.8823   3.8111   3.4853   27.130   8.5743   20.748   7.9876 6.382107 11.71835 
1 1 1    8   30    4 o   16.963   6.8971   1.9349   2.7342   5.2830   4.0043  -0.9897   3.7424   22.945   8.6248   15.227   7.0340 7.717885 11.12945 
1 1 1    8   30    5 o   28.360   7.0056   7.6566   2.9449   12.966   6.5888   6.3313   3.2920   30.866   11.156   24.948   7.8968 5.917793 13.66788 
1 1 1    8   31    0 o   16.282   9.3335   3.2405   3.5947   3.2405   3.5947   3.2405   3.5947   16.282   9.3335   16.282   9.3335 0.000000 0.000000 
1 1 1    8   31    1 o   13.637   6.0918   0.0387   2.5293   1.4430   3.5783  -1.3637   3.5758   16.989   7.4314   14.305   6.6976 2.684076 10.00415 
1 1 1    8   31    2 o   15.252   6.4093   1.3149   2.4700   2.2482   3.7069   0.5696   3.3124   17.982   7.7144   15.605   6.9712 2.376546 10.39758 
1 1 1    9    1    0 o   12.680   7.7202   1.0538   2.7401   1.0538   2.7401   1.0538   2.7401   12.680   7.7202   12.680   7.7202 0.000000 0.000000 
1 1 1    9    1    1 o  393.590   2.5579  1155.29   15.011  1155.92   21.070  1154.65   21.390  393.624   3.5902  393.403   3.6467 0.2210693 5.117389 
1 1 1    9    1    2 o  177.090   1.7047  233.830   4.5009  229.667   5.6029  241.404   7.5577  175.499   2.1413  179.910   2.8175 -4.411591 3.538823 
1 1 1    9    1    3 o  290.767   1.7772  630.367   7.7045  632.535   10.901  628.202   10.891  291.245   2.5103  290.245   2.5167 0.9995422 3.554619 
1 1 1    9    1    4 o   86.002   2.0503   55.147   2.6291   55.144   3.3685   55.152   4.2053   85.996   2.6272   85.996   3.2798 -0.1144409E-03 4.202311 
1 1 1    9    1    5 o  207.225   1.8664  320.160   5.7667  329.372   9.1105  314.003   7.4488  210.170   2.9074  205.215   2.4345 4.954514 3.792041 
1 1 1    9    1    6 o  559.034   2.7540  2330.26   22.955  2358.90   32.918  2303.15   32.027  562.402   3.9257  555.719   3.8653 6.682495 5.509256 
1 1 1    9    1    7 o   61.794   3.5040   28.568   3.2151   34.066   5.5472   25.786   3.9453   67.342   5.5750   58.621   4.5496 8.720818 7.195836 
1 1 1    9    1    8 o  406.588   2.5511  1232.64   15.465  1257.85   20.472  1199.14   23.602  410.694   3.3433  400.968   3.9479 9.726959 5.173352 
1 1 1    9    1    9 o  758.987   3.9150  4296.75   44.303  4320.33   57.561  4262.46   69.393  760.931   5.0736  755.658   6.1592 5.273071 7.979758 
1 1 1    9    1   10 o   65.984   3.4912   32.568   3.4224   30.366   5.0739   34.406   4.6358   63.548   5.4064   67.744   4.6173 -4.195385 7.109770 
1 1 1    9    1   11 o   88.832   2.7830   58.859   3.6860   58.666   5.7051   58.997   4.8293   88.654   4.3162   88.920   3.6426 -0.2659531 5.647850 
1 1 1    9    1   12 o  134.049   2.4126  134.032   4.8220  123.899   8.1781  139.433   5.9701  128.805   4.2584  136.704   2.9291 -7.899002 5.168533 
1 1 1    9    1   13 o  198.479   2.1169  293.843   6.2645  298.763   9.7181  290.344   8.1943  200.056   3.2581  197.253   2.7862 2.803268 4.286959 
1 1 1    9    1   14 f  167.453   2.4344  209.232   6.0778  213.676   8.7625  205.111   8.4374  169.141   3.4746  165.721   3.4147 3.419434 4.871716 
1 1 1    9    1   15 o  147.163   2.4134  161.631   5.2953  165.927   10.318  160.095   6.1698  148.881   4.6483  146.432   2.8259 2.448624 5.439877 
1 1 1    9    1   16 o  189.083   2.3749  266.862   6.6953  293.740   13.555  258.189   7.7001  198.038   4.5908  185.942   2.7775 12.09642 5.365621 
1 1 1    9    1   17 o   31.543   8.1196   7.8307   3.8412   14.015   6.0046   3.5463   4.9976   42.016   9.7700   25.309   9.6074 16.70654 13.70240 
1 1 1    9    1   18 o  138.973   2.5993  144.349   5.3858  147.936   9.3433  142.564   6.5910  140.339   4.4653  138.019   3.2029 2.319458 5.495243 
1 1 1    9    1   19 o   45.960   5.9411   16.329   3.9758   15.554   7.2771   16.659   4.7470   43.273   11.194   46.080   7.1403 -2.806587 13.27765 
1 1 1    9    1   20 o   29.649   7.8566   7.1819   3.5288   17.978   6.1567   1.8999   4.3064   46.620   9.1840   21.350   8.6651 25.27054 12.62661 
1 1 1    9    1   21 o   82.232   3.5362   51.273   4.3355   62.668   6.8924   43.812   5.5771   89.929   5.1621   75.236   5.0003 14.69247 7.186767 
1 1 1    9    2    0 f  127.915   2.2400  122.107   4.2692  122.107   4.2692  122.107   4.2692  127.915   2.2400  127.915   2.2400 0.000000 0.000000 
1 1 1    9    2    1 o  493.753   2.4208  1817.99   17.821  1864.45   25.773  1775.43   24.669  499.941   3.4576  487.866   3.3914 12.07458 4.843173 
1 1 1    9    2    2 o  226.430   1.6138  382.264   5.4481  376.450   7.5536  388.569   7.8656  224.688   2.2548  228.275   2.3110 -3.586655 3.228742 
1 1 1    9    2    3 o  345.223   2.1490  888.624   11.061  898.390   17.841  882.526   14.098  347.065   3.4477  344.016   2.7486 3.048492 4.409225 
1 1 1    9    2    4 o   38.894   3.1373   11.355   1.8039   12.349   2.5318   10.329   2.5708   40.466   4.2604   36.901   4.7853 3.564663 6.407026 
1 1 1    9    2    5 o  129.021   1.9221  124.110   3.6975  122.383   5.6943  125.368   4.8619  128.111   2.9812  129.669   2.5148 -1.557251 3.900188 
1 1 1    9    2    6 o  342.286   2.0605  873.510   10.516  881.194   15.009  866.102   14.738  343.769   2.9283  340.813   2.9003 2.955658 4.121472 
1 1 1    9    2    7 o   94.123   2.1797   66.052   3.0588   66.162   4.7150   65.971   4.0194   94.193   3.3573   94.061   2.8661 0.1320267 4.414267 
1 1 1    9    2    8 o  258.537   1.9015  498.349   7.3299  531.821   11.680  476.604   9.4144  267.058   2.9335  252.824   2.4975 14.23462 3.852631 
1 1 1    9    2    9 o  461.134   2.3590  1585.57   16.219  1606.56   25.069  1570.46   21.271  464.111   3.6228  458.896   3.1088 5.214600 4.773826 
1 1 1    9    2   10 o  400.608   2.4115  1196.77   14.404  1195.18   20.314  1198.39   20.427  400.280   3.4038  400.816   3.4181 -0.5362244 4.823788 
1 1 1    9    2   11 o  254.814   2.1784  484.218   8.2761  504.300   14.764  475.017   9.9940  259.949   3.8093  252.359   2.6561 7.589584 4.643868 
1 1 1    9    2   12 o   49.338   4.4960   18.335   3.2710   10.359   6.4624   21.082   3.7927   36.813   10.959   52.892   4.8639 -16.07867 11.98995 
1 1 1    9    2   13 o  204.111   2.1314  310.768   6.4863  304.975   9.8381  315.223   8.6268  202.118   3.2646  205.523   2.8153 -3.405197 4.310877 
1 1 1    9    2   14 o  131.620   2.5147  129.281   4.9349  130.838   7.5513  128.120   6.5198  132.320   3.8276  130.976   3.3386 1.343948 5.079058 
1 1 1    9    2   15 o   68.617   3.5993   35.286   3.6695   37.241   6.0320   34.137   4.6233   70.207   5.8148   67.369   4.6310 2.838188 7.433592 
1 1 1    9    2   16 o  125.353   2.6627  117.332   4.9765  120.879   10.512  116.307   5.6498  126.890   5.5562  124.774   3.0369 2.115616 6.331990 
1 1 1    9    2   17 o  134.484   2.5894  135.082   5.1920  134.844   8.6026  135.219   6.5117  134.143   4.3012  134.479   3.2476 -0.3359222 5.389584 
1 1 1    9    2   18 o   14.539   6.7052  -2.5787   3.3798   0.6338   6.3416  -3.8531   3.9943   24.063   10.199   15.139   7.0850 8.924003 12.41843 
1 1 1    9    2   19 o   90.623   3.1869   61.627   4.3060   61.683   8.7036   61.609   4.9549   89.498   6.5683   90.513   3.6716 -1.014748 7.524886 
1 1 1    9    2   20 o   21.944   7.8189   3.4028   3.2246   8.3872   5.6163   0.9518   3.9384   31.902   10.338   19.421   8.1230 12.48037 13.14717 
1 1 1    9    2   21 o   72.403   3.9083   40.049   4.2034   35.341   7.2790   42.404   5.1486   65.878   7.5469   74.123   4.6828 -8.244728 8.881687 
1 1 1    9    3    0 o  178.558   2.2076  237.819   5.8751  237.819   5.8751  237.819   5.8751  178.558   2.2076  178.558   2.2076 0.000000 0.000000 
1 1 1    9    3    1 o  349.665   1.9455  911.629   10.142  921.752   14.410  901.692   14.278  351.572   2.7491  347.725   2.7539 3.846832 3.891243 
1 1 1    9    3    2 o  130.046   1.5778  126.089   3.0593  128.707   4.2623  123.307   4.3937  131.383   2.1759  128.596   2.2916 2.786804 3.159993 
1 1 1    9    3    3 o  143.596   2.0380  153.739   4.3633  161.089   6.5371  147.834   5.8597  146.977   2.9831  140.803   2.7912 6.174225 4.085295 
1 1 1    9    3    4 o   98.946   1.8518   72.993   2.7318   72.752   3.8636   73.235   3.8632   98.778   2.6234   99.105   2.6145 -0.3272400 3.703719 
1 1 1    9    3    5 o  317.243   1.9529  750.358   9.2374  767.353   13.326  734.640   12.816  320.798   2.7862  313.887   2.7385 6.911316 3.906661 
1 1 1    9    3    6 o  319.968   1.9985  763.307   9.5339  751.043   16.330  769.649   11.743  317.354   3.4511  321.286   2.4515 -3.932190 4.233187 
1 1 1    9    3    7 o  302.822   1.8833  683.690   8.5030  679.803   13.013  686.587   11.232  301.938   2.8907  303.451   2.4826 -1.512665 3.810459 
1 1 1    9    3    8 o  147.675   2.1955  162.601   4.8341  158.536   8.6619  164.440   5.8257  145.792   3.9848  148.503   2.6311 -2.711197 4.775117 
1 1 1    9    3    9 o  209.626   1.9419  327.643   6.0694  332.285   9.4097  324.336   7.9425  211.083   2.9899  208.554   2.5543 2.529388 3.932379 
1 1 1    9    3   10 o  334.701   2.2625  835.381   11.290  820.111   15.799  851.321   16.141  331.578   3.1957  337.828   3.2046 -6.249725 4.525657 
1 1 1    9    3   11 o  164.924   2.2633  202.859   5.5654  205.850   9.7270  201.403   6.7859  166.065   3.9285  164.314   2.7699 1.750854 4.806845 
1 1 1    9    3   12 o  264.404   2.2187  521.453   8.7465  556.825   16.104  506.653   10.417  273.060   3.9554  260.591   2.6811 12.46881 4.778450 
1 1 1    9    3   13 o  293.175   2.1406  641.172   9.3571  634.132   14.261  646.494   12.400  291.434   3.2819  294.319   2.8257 -2.884766 4.330738 
1 1 1    9    3   14 o  181.840   2.2243  246.712   6.0306  243.804   9.1892  248.913   7.9926  180.660   3.4115  182.591   2.9359 -1.930542 4.500853 
1 1 1    9    3   15 o  204.729   2.2324  312.786   6.8144  306.377   12.762  315.342   8.0595  202.349   4.2301  205.522   2.6301 -3.172836 4.981129 
1 1 1    9    3   16 o   62.399   4.1921   29.277   3.8775   32.447   8.1138   28.339   4.4141   64.873   8.6008   61.293   4.8703 3.579136 9.883976 
1 1 1    9    3   17 o   31.622   7.5912   7.8810   3.5337   7.5834   6.4423   8.0091   4.2262   32.444   11.086   31.894   8.6630 0.5503044 14.06942 
1 1 1    9    3   18 o  133.573   2.4602  133.361   4.8997  135.129   8.8506  132.580   5.8835  134.057   4.4281  133.101   2.9647 0.9560394 5.328909 
1 1 1    9    3   19 o   75.411   3.6386   42.791   4.0911   50.055   7.9845   40.205   4.7640   80.417   6.7210   72.812   4.4091 7.604614 8.038136 
1 1 1    9    3   20 o   27.303   8.3342   6.0552   3.7032   5.5585   6.6283   6.2806   4.4650   28.645   11.019   28.007   9.2248 0.6381111 14.37050 
1 1 1    9    3   21 o   24.636   7.7691   4.9752   3.1887   2.1832   6.1364   6.0081   3.7322   23.828   10.062   26.807   8.3977 -2.978649 13.10615 
1 1 1    9    4    0 o  425.979   3.1127  1353.20   19.767  1353.20   19.767  1353.20   19.767  425.979   3.1127  425.979   3.1127 0.000000 0.000000 
1 1 1    9    4    1 o  364.197   2.4849  989.027   13.493  986.149   15.239  999.473   29.033  363.656   2.8106  365.973   5.3207 -2.316956 6.017439 
1 1 1    9    4    2 o  229.507   1.7965  392.716   6.1476  391.455   7.9585  394.582   9.6802  229.130   2.3296  230.034   2.8224 -0.9036865 3.659647 
1 1 1    9    4    3 o  276.334   1.7839  569.314   7.3498  564.412   10.292  574.415   10.499  275.129   2.5089  277.556   2.5372 -2.426575 3.568188 
1 1 1    9    4    4 o  375.270   2.0630  1049.97   11.543  1046.97   19.784  1051.52   14.213  374.690   3.5414  375.535   2.5384 -0.8449097 4.357187 
1 1 1    9    4    5 o  326.016   1.9865  792.438   9.6560  792.968   13.691  791.914   13.620  326.108   2.8159  325.891   2.8031 0.2164917 3.973242 
1 1 1    9    4    6 o  392.321   2.0510  1147.55   11.997  1142.54   18.317  1151.32   15.877  391.432   3.1385  392.948   2.7100 -1.516144 4.146599 
1 1 1    9    4    7 o  564.673   2.8089  2377.62   23.648  2392.74   33.834  2363.19   33.067  566.392   4.0066  562.888   3.9400 3.503967 5.619263 
1 1 1    9    4    8 o  259.078   2.2701  500.473   8.7690  506.213   14.194  496.931   11.152  260.521   3.6543  258.144   2.8974 2.376740 4.663552 
1 1 1    9    4    9 o  367.834   2.1215  1008.88   11.635  990.028   17.605  1023.49   15.503  364.329   3.2409  370.459   2.8068 -6.129089 4.287379 
1 1 1    9    4   10 o  375.928   2.5648  1054.00   14.375  1052.52   22.567  1055.01   18.649  375.544   4.0303  376.053   3.3261 -0.5091248 5.225522 
1 1 1    9    4   11 o  281.932   2.0229  592.781   8.5032  601.256   13.191  586.756   11.122  283.867   3.1168  280.458   2.6599 3.409668 4.097471 
1 1 1    9    4   12 o  151.676   2.1636  171.602   4.8929  181.460   7.6585  164.803   6.3602  155.913   3.2945  148.609   2.8705 7.304413 4.369596 
1 1 1    9    4   13 o  141.822   2.2282  150.055   4.7116  156.787   7.2980  145.243   6.1696  144.898   3.3781  139.489   2.9665 5.408936 4.495737 
1 1 1    9    4   14 o  152.045   2.3310  172.512   5.2842  176.126   8.2200  169.967   6.8984  153.524   3.5911  150.864   3.0669 2.659943 4.722464 
1 1 1    9    4   15 o   82.600   3.2368   50.979   3.9863   59.404   7.6719   47.863   4.6656   88.751   5.8302   79.994   3.9118 8.756668 7.020908 
1 1 1    9    4   16 o  100.024   2.9418   74.746   4.3872   87.433   9.5886   71.387   4.9339  107.654   5.9977   97.717   3.3865 9.936707 6.887740 
1 1 1    9    4   17 o   63.636   4.2672   30.501   4.0253   37.278   6.6491   26.580   5.0573   69.960   6.4470   59.114   5.8131 10.84676 8.680799 
1 1 1    9    4   18 o   36.056   7.3057   10.277   3.7929   15.046   7.8513   8.8251   4.3319   42.796   11.882   33.203   8.6601 9.592930 14.70347 
1 1 1    9    4   19 o   26.520   7.9770   5.5823   3.4109   6.6642   7.2313   5.2727   3.8682   31.016   11.604   26.183   8.5844 4.832655 14.43394 
1 1 1    9    4   20 o   27.435   8.4585   6.1475   3.8034   15.438   6.5048   1.3210   4.6884   42.201   10.404   21.146   8.8552 21.05520 13.66235 
1 1 1    9    4   21 o   14.259   6.5869  -2.1346   3.2815  -5.4074   6.8766  -1.1696   3.7340   19.298   9.1135   16.276   7.3258 3.021900 11.69286 
1 1 1    9    5    0 o  193.094   3.3080  278.246   9.5173  278.246   9.5173  278.246   9.5173  193.094   3.3080  193.094   3.3080 0.000000 0.000000 
1 1 1    9    5    1 o  543.329   3.3050  2201.48   26.774  2185.46   37.552  2218.03   38.183  541.258   4.6533  545.273   4.6966 -4.015259 6.611477 
1 1 1    9    5    2 o  240.481   1.7009  431.162   6.0986  435.293   8.5754  426.936   8.6748  241.620   2.3804  239.289   2.4314 2.331375 3.402687 
1 1 1    9    5    3 o  373.596   2.0328  1040.63   11.323  1045.51   19.475  1038.14   13.917  374.428   3.4886  373.138   2.5016 1.290588 4.292790 
1 1 1    9    5    4 o  249.516   1.6358  464.160   6.0855  482.984   9.6114  451.565   7.8620  254.512   2.5328  246.101   2.1427 8.411148 3.317572 
1 1 1    9    5    5 o  444.952   2.5692  1476.20   17.045  1490.62   27.157  1466.83   21.894  447.057   4.0743  443.511   3.3109 3.546082 5.249932 
1 1 1    9    5    6 o  133.443   1.8642  132.763   3.7090  132.650   5.8106  132.840   4.8183  133.376   2.9220  133.477   2.4211 -0.1011200 3.794676 
1 1 1    9    5    7 o  139.330   2.2441  144.745   4.6619  134.284   7.3748  151.708   6.0166  134.182   3.6863  142.635   2.8291 -8.452774 4.646772 
1 1 1    9    5    8 o  172.029   2.1336  220.661   5.4725  237.766   10.081  213.515   6.5162  178.537   3.7871  169.213   2.5828 9.323547 4.583951 
1 1 1    9    5    9 o  225.747   1.9336  379.990   6.5081  387.123   10.062  374.861   8.5333  227.824   2.9623  224.201   2.5528 3.623398 3.910476 
1 1 1    9    5   10 o  200.659   2.3386  300.288   6.9967  300.997   10.974  299.802   9.0820  200.835   3.6648  200.468   3.0386 0.3672333 4.760602 
1 1 1    9    5   11 o  117.161   2.3714  102.391   4.1424  104.158   6.4090  101.123   5.4288  118.122   3.6390  116.409   3.1278 1.712936 4.798545 
1 1 1    9    5   12 o  314.526   2.2863  737.996   10.722  760.164   15.642  718.351   14.725  319.097   3.2877  310.211   3.1837 8.886444 4.576591 
1 1 1    9    5   13 o   77.177   3.4099   44.487   3.9237   53.968   6.9327   40.018   4.7593   84.698   5.5200   73.022   4.3918 11.67553 7.053977 
1 1 1    9    5   14 o  159.908   2.3076  190.826   5.5019  180.191   8.3719  198.911   7.2995  155.270   3.6163  163.202   2.9999 -7.931580 4.698595 
1 1 1    9    5   15 o   80.479   3.1513   48.394   3.7813   53.350   6.2164   45.483   4.7641   84.213   4.9730   77.851   4.1190 6.362137 6.457316 
1 1 1    9    5   16 o  109.163   2.9975   89.048   4.8788  104.366   9.8983   84.132   5.6072  117.827   5.6344  106.057   3.5460 11.76991 6.657357 
1 1 1    9    5   17 o   37.944   7.2008   11.275   3.9247   6.8236   7.7103   12.831   4.5597   32.544   12.020   40.393   7.8538 -7.849613 14.35827 
1 1 1    9    5   18 o   71.857   4.0376   38.948   4.3082   48.914   8.7040   35.715   4.9582   79.520   7.4273   68.613   4.8785 10.90752 8.886200 
1 1 1    9    5   19 o   79.711   3.2853   47.804   3.9044   57.585   8.4562   45.154   4.4017   86.054   6.6422   77.347   3.8169 8.707169 7.660757 
1 1 1    9    5   20 o   22.012   8.3611   3.1046   3.7866   5.5336   6.7364   1.9826   4.5783   28.418   11.059   21.663   8.8798 6.754148 14.18243 
1 1 1    9    6    1 o  461.102   2.6136  1585.33   17.968  1553.97   28.640  1605.69   23.074  456.445   4.2084  464.024   3.3351 -7.578796 5.369727 
1 1 1    9    6    2 o  500.087   2.4541  1864.69   18.298  1833.21   30.919  1881.66   22.701  495.766   4.1828  502.335   3.0309 -6.568878 5.165530 
1 1 1    9    6    3 o   92.863   1.7802   64.293   2.4648   65.995   4.0591   63.298   3.1022   94.078   2.8938   92.139   2.2582 1.938545 3.670659 
1 1 1    9    6    4 o  369.292   2.0770  1016.80   11.436  1022.06   19.855  1014.18   13.989  370.202   3.5972  368.807   2.5441 1.395203 4.405945 
1 1 1    9    6    5 o  400.170   2.2237  1193.97   13.267  1226.14   19.191  1164.51   18.363  405.496   3.1742  395.175   3.1166 10.32086 4.448445 
1 1 1    9    6    6 o  363.983   2.1726  987.795   11.790  998.382   16.764  977.434   16.585  365.900   3.0730  362.041   3.0724 3.859009 4.345435 
1 1 1    9    6    7 o  553.819   2.7862  2287.19   23.006  2322.66   33.116  2254.09   31.985  558.014   3.9804  549.722   3.9024 8.291748 5.574246 
1 1 1    9    6    8 o  261.790   2.0857  511.017   8.1408  519.561   14.755  507.277   9.7609  263.908   3.7498  260.818   2.5101 3.090210 4.512328 
1 1 1    9    6    9 o  121.755   2.2253  110.547   4.0396  115.087   6.3324  107.432   5.2455  124.202   3.4195  120.013   2.9315 4.189804 4.504122 
1 1 1    9    6   10 f  249.683   2.1243  464.934   7.9081  467.116   13.800  463.866   9.6498  250.169   3.6997  249.372   2.5954 0.7963104 4.519298 
1 1 1    9    6   11 o  147.436   2.1340  162.135   4.6910  157.032   7.3462  165.649   6.0957  145.039   3.3971  149.000   2.7439 -3.960861 4.366836 
1 1 1    9    6   12 o  138.650   2.6376  143.456   5.4526  146.739   7.2823  139.266   8.2261  140.176   3.4844  136.519   4.0414 3.657196 5.336074 
1 1 1    9    6   13 o  158.204   2.2223  186.745   5.2418  182.281   8.1267  189.926   6.8595  156.202   3.4894  159.498   2.8845 -3.296036 4.527286 
1 1 1    9    6   14 o  236.252   2.3607  416.583   8.3155  415.635   14.946  417.007   10.007  235.673   4.2535  236.310   2.8404 -0.6374969 5.114653 
1 1 1    9    6   15 o  106.542   3.0254   84.808   4.8059   97.507   8.8860   79.558   5.7136  113.992   5.2283  103.134   3.7157 10.85793 6.414190 
1 1 1    9    6   16 o   72.904   4.0371   39.928   4.3711   38.518   8.3878   40.453   5.1215   70.788   8.0928   73.284   4.7123 -2.495560 9.364751 
1 1 1    9    6   17 o   55.963   5.1211   23.780   4.2257   31.271   8.0832   20.963   4.9570   63.256   8.8099   52.211   6.5091 11.04471 10.95364 
1 1 1    9    6   18 o   29.916   8.2233   7.1667   3.7816  -3.6423   7.3172   11.106   4.4172   22.155   10.084   37.177   8.1900 -15.02252 12.99120 
1 1 1    9    6   19 o   28.735   7.6023   6.7232   3.3074   11.558   6.6388   5.1269   3.8145   36.820   11.141   25.721   8.5290 11.09909 14.03085 
1 1 1    9    6   20 o   71.282   3.5085   38.514   3.7288   45.386   7.7588   36.450   4.2520   75.304   6.9901   69.003   4.1522 6.300934 8.130364 
1 1 1    9    7    0 f  349.029   5.2867  909.129   27.497  909.129   27.497  909.129   27.497  349.029   5.2867  349.029   5.2867 0.000000 0.000000 
1 1 1    9    7    1 o  531.887   3.8159  2109.89   30.261  2009.28   49.741  2169.01   38.129  518.851   6.4299  539.226   4.7426 -20.37567 7.989732 
1 1 1    9    7    2 o  384.503   2.2994  1102.31   13.182  1094.24   30.916  1104.11   14.574  382.961   5.4144  384.809   2.5401 -1.848022 5.980640 
1 1 1    9    7    3 o   83.843   2.2139   52.413   2.7676   47.818   8.2344   52.998   2.9385   79.728   6.9979   84.310   2.3377 -4.581779 7.378030 
1 1 1    9    7    4 o  346.910   2.0671  897.284   10.692  919.620   19.668  887.914   12.739  351.150   3.7567  345.085   2.4758 6.065277 4.499178 
1 1 1    9    7    5 o  290.636   1.9619  629.784   8.5015  636.254   12.070  623.414   11.977  292.108   2.7713  289.145   2.7781 2.962708 3.924021 
1 1 1    9    7    6 o  243.696   2.1420  442.801   7.7829  441.150   10.051  445.273   12.300  243.228   2.7715  244.346   3.3763 -1.117844 4.368128 
1 1 1    9    7    7 o  190.686   1.8620  271.109   5.2939  288.195   8.3947  259.828   6.8212  196.583   2.8641  186.666   2.4509 9.916595 3.769609 
1 1 1    9    7    8 o  331.385   2.0155  818.853   9.9582  868.367   16.035  787.767   12.705  341.200   3.1520  325.008   2.6219 16.19211 4.099958 
1 1 1    9    7    9 o  274.295   1.9546  561.050   7.9939  560.172   12.312  561.691   10.511  274.026   3.0134  274.423   2.5689 -0.3967590 3.959770 
1 1 1    9    7   10 o  151.609   2.0859  171.429   4.7151  173.546   7.4033  169.984   6.1160  152.495   3.2561  150.946   2.7175 1.548721 4.241124 
1 1 1    9    7   11 o  179.834   2.2103  241.245   5.9265  235.071   10.608  244.048   7.1458  177.389   4.0107  180.850   2.6501 -3.461288 4.807118 
1 1 1    9    7   12 o   16.568   7.0709  -0.0694   3.0852   10.164   6.0898  -3.6027   3.5785   36.259   10.598   14.310   6.7000 21.94853 12.53792 
1 1 1    9    7   13 o  119.665   2.6451  106.895   4.7194  109.981   8.6875  105.603   5.6212  121.195   4.8077  118.905   3.1707 2.289505 5.759141 
1 1 1    9    7   14 o  118.832   3.4574  105.554   6.1257   0.0000   0.0000  105.554   6.1257  ?   ?   118.832   3.4574 0.000000 3.457409 
1 1 1    9    7   15 o  180.846   2.5336  244.212   6.8316  247.337   12.307  242.820   8.2131  181.672   4.5436  180.263   3.0558 1.408722 5.475591 
1 1 1    9    7   16 o  128.731   4.1198  124.198   7.9073  138.942   14.195  117.564   9.5212  135.290   7.0618  125.069   5.1059 10.22122 8.714292 
1 1 1    9    7   17 o   90.551   3.7563   61.510   5.0714   57.042   13.112   62.295   5.4994   84.827   10.598   91.082   4.0496 -6.255043 11.34558 
1 1 1    9    7   18 o   95.515   3.7920   68.688   5.4002   0.0000   0.0000   68.688   5.4002  ?   ?    95.515   3.7920 0.000000 3.791995 
1 1 1    9    7   19 o   70.226   3.9951   37.500   4.1657   37.063   8.0615   37.659   4.8657   67.793   8.1382   70.121   4.6809 -2.327881 9.388326 
1 1 1    9    7   20 o   27.507   8.0217   6.3538   3.4926   2.3713   6.5182   7.9577   4.1366   24.533   10.366   30.492   8.6816 -5.958813 13.52112 
1 1 1    9    8    0 o  243.952   5.2591  444.444   19.108  444.444   19.108  444.444   19.108  243.952   5.2591  243.952   5.2591 0.000000 0.000000 
1 1 1    9    8    1 o  244.693   3.6112  446.532   13.175  461.206   19.042  433.059   18.247  248.632   5.1368  240.928   5.0796 7.704163 7.224175 
1 1 1    9    8    2 o  210.915   2.0473  331.673   6.4381  334.086   11.072  330.441   7.9135  211.655   3.5085  210.516   2.5212 1.138733 4.320417 
1 1 1    9    8    3 o  232.654   1.8247  403.558   6.3295  409.978   12.234  401.212   7.3964  234.465   3.4996  231.972   2.1385 2.492630 4.101254 
1 1 1    9    8    4 o  425.014   2.3120  1346.85   14.651  1356.12   26.351  1342.70   17.626  426.394   4.1450  424.343   2.7860 2.051147 4.994253 
1 1 1    9    8    5 o  578.192   3.1388  2493.09   27.058  2561.02   44.275  2452.59   34.185  585.850   5.0688  573.414   3.9985 12.43610 6.456085 
1 1 1    9    8    6 o  226.818   2.8028  383.652   9.4783  375.844   12.022  396.479   15.408  224.474   3.5921  230.520   4.4830 -6.045517 5.744590 
1 1 1    9    8    7 o  297.642   2.3464  660.623   10.413  664.266   16.813  658.356   13.263  298.392   3.7790  297.103   2.9941 1.288788 4.821335 
1 1 1    9    8    8 o  219.480   2.0730  359.216   6.7836  370.611   12.472  354.429   8.0838  222.859   3.7536  217.998   2.4871 4.861008 4.502768 
1 1 1    9    8    9 o  244.668   2.5507  446.526   9.3047   0.0000   0.0000  446.526   9.3047  ?   ?   244.668   2.5507 0.000000 2.550680 
1 1 1    9    8   10 o   82.848   3.2176   51.231   3.9745   72.749   10.246   47.419   4.3122   98.254   7.0407   79.693   3.6291 18.56036 7.920974 
1 1 1    9    8   11 o  127.198   2.6216  120.735   4.9718  120.915   12.199  120.699   5.4445  126.810   6.4735  127.166   2.8715 -0.3566589 7.081778 
1 1 1    9    8   12 o  208.720   2.2300  325.046   6.9398  336.091   12.634  320.273   8.3051  212.034   3.9962  207.141   2.6891 4.892456 4.816753 
1 1 1    9    8   13 o   79.941   3.4513   47.759   4.1136   48.885   7.6208   47.296   4.8866   80.385   6.4119   79.402   4.1420 0.9823914 7.633378 
1 1 1    9    8   14 o  148.428   3.1048  164.619   6.8710  166.034   15.103  164.249   7.7157  148.405   6.8256  148.215   3.4915 0.1896973 7.666790 
1 1 1    9    8   15 o  116.999   3.0577  102.308   5.3340   94.488   9.7862  105.613   6.3620  111.903   5.8862  118.816   3.5913 -6.913307 6.895236 
1 1 1    9    8   16 o   86.372   4.1426   55.949   5.3347   53.673   8.9134   57.219   6.6590   83.799   7.2041   87.056   5.1532 -3.257179 8.857458 
1 1 1    9    8   17 o   86.183   3.9009   55.800   5.0125   55.272   9.4081   56.010   5.9231   84.584   7.5391   86.089   4.6316 -1.504684 8.848162 
1 1 1    9    8   18 o   62.513   4.7121   29.808   4.3597   20.820   10.934   31.508   4.7539   48.264   14.227   64.188   5.0070 -15.92396 15.08225 
1 1 1    9    8   19 o  105.150   2.9019   83.246   4.5495   97.004   9.8377   79.503   5.1311  111.631   5.9320  102.589   3.3546 9.042740 6.814831 
1 1 1    9    8   20 o   81.950   3.2227   50.933   3.9377   61.322   7.8907   47.488   4.5439   87.875   6.0596   78.837   3.8657 9.038620 7.187626 
1 1 1    9    9    0 o   38.994   13.967   15.011   7.4205   15.011   7.4205   15.011   7.4205   38.994   13.967   38.994   13.967 0.000000 0.000000 
1 1 1    9    9    1 o  353.217   3.9736  930.527   20.927  906.705   28.740  957.411   30.531  348.590   5.5296  358.193   5.7168 -9.603394 7.953506 
1 1 1    9    9    2 o  216.777   2.3216  350.379   7.5037  361.480   16.872  347.642   8.3779  220.113   5.1410  215.924   2.6024 4.188980 5.762122 
1 1 1    9    9    3 o  189.171   1.9642  266.812   5.5399  263.230   14.629  267.412   5.9857  187.820   5.2239  189.381   2.1199 -1.560776 5.637616 
1 1 1    9    9    4 o  149.801   1.9855  167.314   4.4346  182.906   9.1295  162.498   5.0734  156.592   3.9103  147.625   2.3050 8.966843 4.539051 
1 1 1    9    9    5 o  220.901   2.4475  363.869   8.0612  372.725   12.129  356.863   10.789  223.539   3.6391  218.741   3.3080 4.797714 4.917978 
1 1 1    9    9    6 o  206.016   2.2638  316.487   6.9536  318.344   11.270  315.345   8.8361  206.576   3.6590  205.627   2.8821 0.9484406 4.657743 
1 1 1    9    9    7 o  232.669   2.2071  403.695   7.6564  399.731   12.701  405.958   9.5958  231.459   3.6805  233.300   2.7586 -1.840149 4.599599 
1 1 1    9    9    8 o   23.194   7.7938   3.7668   3.1836   1.8682   5.5974   4.6747   3.8706   24.431   9.8919   25.730   8.5939 -1.299219 13.10361 
1 1 1    9    9    9 o  103.782   2.8277   80.363   4.3755   88.140   10.726   78.810   4.7924  108.274   6.6769  102.765   3.1278 5.509277 7.373217 
1 1 1    9    9   10 o  105.805   2.5937   83.530   4.0917   77.897   7.5843   85.843   4.8596  102.051   4.9846  107.241   3.0392 -5.190498 5.838067 
1 1 1    9    9   11 o  243.974   2.3685  444.140   8.6156  444.379   14.178  444.000   10.848  243.851   3.8997  243.871   2.9835 -0.1991272E-01 4.910089 
1 1 1    9    9   12 o   32.452   7.0176   8.2267   3.2966   4.7222   6.1240   9.6566   3.9118   28.525   10.677   35.123   7.6836 -6.597622 13.15446 
1 1 1    9    9   13 o   82.956   3.3558   51.434   4.1506   48.713   7.3608   52.702   5.0259   80.251   6.1998   83.926   4.0164 -3.674965 7.387146 
1 1 1    9    9   14 o  168.542   2.5058  212.109   6.2969  231.209   11.810  204.521   7.4432  175.648   4.5094  165.439   3.0175 10.20877 5.425901 
1 1 1    9    9   15 o  139.831   2.8071  146.109   5.8523  156.702   10.945  141.867   6.9256  144.424   5.0827  137.715   3.3729 6.709335 6.100052 
1 1 1    9    9   16 o   92.011   3.5048   63.425   4.8082   56.526   8.5038   66.667   5.8294   86.065   6.6793   94.241   4.1487 -8.176033 7.862875 
1 1 1    9    9   17 o  136.005   3.1379  138.700   6.3630  122.383   10.102  149.431   8.1923  127.060   5.3327  140.946   3.8984 -13.88587 6.605655 
1 1 1    9    9   18 o   96.303   3.2891   69.830   4.7227   71.770   9.5454   69.201   5.4344   95.934   6.7158   95.707   3.8084 0.2267532 7.720478 
1 1 1    9    9   19 o   54.443   5.3090   23.114   4.2547   17.115   7.3253   26.168   5.2267   43.619   11.204   57.519   6.1921 -13.90005 12.80160 
1 1 1    9    9   20 o   32.687   7.0551   8.9725   3.3376   6.2599   6.3368   10.014   3.9263   27.937   10.766   34.157   7.8714 -6.219776 13.33670 
1 1 1    9   10    0 o  701.938   5.8722  3676.00   61.447  3676.00   61.447  3676.00   61.447  701.938   5.8722  701.938   5.8722 0.000000 0.000000 
1 1 1    9   10    1 o  396.437   2.9914  1172.01   17.681  1141.82   24.374  1205.54   25.689  391.237   4.1784  401.999   4.2859 -10.76166 5.985697 
1 1 1    9   10    2 o   66.721   2.1339   33.192   2.1228   42.841   7.0379   32.227   2.2265   75.487   6.3111   65.742   2.2715 9.744926 6.707401 
1 1 1    9   10    3 o  145.112   1.9350  157.006   4.1865  147.726   9.1525  159.461   4.7079  140.715   4.3624  146.240   2.1592 -5.524551 4.867532 
1 1 1    9   10    4 o  192.395   2.0598  275.999   5.9087  282.706   11.043  273.309   6.9942  194.673   3.8045  191.447   2.4503 3.226532 4.525266 
1 1 1    9   10    5 o  136.117   2.6752  138.175   5.4293  139.591   8.4314  137.172   7.0965  136.777   4.1344  135.604   3.5099 1.173584 5.423389 
1 1 1    9   10    6 o   45.361   5.3526   15.580   3.5503   24.593   6.0520   10.851   4.3840   56.877   7.3055   37.358   8.1039 19.51953 10.91067 
1 1 1    9   10    7 o   46.272   4.4469   16.134   3.0302   16.564   5.8262   15.974   3.5478   46.244   8.7710   45.940   5.2753 0.3042908 10.23520 
1 1 1    9   10    8 o  206.598   2.2453  318.355   6.9163  302.129   15.785  322.211   7.6942  201.035   5.2661  207.833   2.4830 -6.798309 5.822166 
1 1 1    9   10    9 o   45.674   4.6343   15.753   3.1122   15.479   6.1882   15.846   3.6007   44.471   9.6131   45.707   5.3871 -1.236500 11.01961 
1 1 1    9   10   10 o   73.849   3.2277   40.721   3.5539   32.663   6.5192   44.129   4.2393   65.623   6.7597   76.858   3.6994 -11.23456 7.705780 
1 1 1    9   10   11 o  126.402   2.6631  119.263   5.0189  115.908   8.2438  121.240   6.3264  124.469   4.4422  127.399   3.3306 -2.929970 5.552091 
1 1 1    9   10   12 o   86.225   3.0633   55.537   3.9381   47.875   7.3955   58.570   4.6526   79.558   6.2858   88.519   3.5252 -8.960976 7.206854 
1 1 1    9   10   13 o  163.858   2.6364  200.505   6.4410  212.207   15.303  197.985   7.1006  167.941   6.1114  162.793   2.9254 5.147903 6.775500 
1 1 1    9   10   14 o  203.828   2.4249  310.224   7.3694  316.111   13.475  307.711   8.8024  205.371   4.4006  202.929   2.9093 2.441971 5.275385 
1 1 1    9   10   15 o   44.892   6.9154   15.603   4.4801   25.100   7.7630   10.861   5.4858   56.451   9.5648   36.920   9.8018 19.53085 13.69529 
1 1 1    9   10   16 o   39.052   7.5171   12.034   4.2180   0.5044   7.7565   16.875   5.0261   26.159   11.189   46.425   7.5183 -20.26664 13.48022 
1 1 1    9   10   17 o  113.321   3.7872   96.699   6.3987   96.374   13.413   96.794   7.2807  110.865   8.1719  113.209   4.3134 -2.343666 9.240420 
1 1 1    9   10   18 o   30.062   8.2883   7.4699   3.8349   13.422   7.3163   5.2151   4.5030   39.079   11.667   26.282   9.2531 12.79736 14.89064 
1 1 1    9   10   19 o   76.897   3.6311   44.956   4.1631   48.624   7.7243   43.454   4.9424   77.932   6.7132   75.126   4.4321 2.806175 8.044290 
1 1 1    9   11    0 o  396.000   4.2577  1169.86   25.132  1169.86   25.132  1169.86   25.132  396.000   4.2577  396.000   4.2577 0.000000 0.000000 
1 1 1    9   11    1 o  304.636   2.3346  691.999   10.604  687.828   17.970  694.228   13.134  303.648   3.9692  305.107   2.8872 -1.459015 4.908228 
1 1 1    9   11    2 o  170.499   2.4126  216.769   6.1330  210.816   10.609  219.757   7.5162  168.094   4.2332  171.659   2.9367 -3.564178 5.152085 
1 1 1    9   11    3 f  214.839   2.1878  344.170   7.0078  336.641   11.970  348.096   8.6440  212.426   3.7794  216.048   2.6834 -3.622269 4.635182 
1 1 1    9   11    4 o  121.773   2.2436  110.577   4.0735  108.208   8.1437  111.367   4.7043  120.408   4.5363  122.201   2.5820 -1.793259 5.219584 
1 1 1    9   11    5 o  332.434   2.3914  824.168   11.853  840.108   19.335  814.571   15.003  335.531   3.8649  330.454   3.0450 5.077118 4.920327 
1 1 1    9   11    6 o  254.599   2.2815  483.432   8.6607  481.507   13.984  484.630   11.031  254.006   3.6924  254.882   2.9028 -0.8756714 4.696775 
1 1 1    9   11    7 o  410.120   2.5858  1254.72   15.812  1232.34   35.513  1260.26   17.659  405.891   5.8683  410.991   2.8818 -5.099426 6.537680 
1 1 1    9   11    8 o  210.209   2.2696  329.621   7.1133  349.568   17.400  325.618   7.7944  216.160   5.3988  208.914   2.5023 7.245590 5.950516 
1 1 1    9   11    9 o  153.658   2.2325  176.146   5.1146  159.591   9.1590  183.647   6.1655  146.123   4.2040  156.873   2.6360 -10.75032 4.962037 
1 1 1    9   11   10 o  139.196   2.5236  144.602   5.2374  137.219   8.6304  148.907   6.5896  135.456   4.2733  141.211   3.1298 -5.754532 5.296840 
1 1 1    9   11   11 o  131.802   2.6640  129.691   5.2352  113.045   8.4158  140.199   6.6864  122.878   4.5936  136.987   3.2737 -14.10907 5.640778 
1 1 1    9   11   12 o  229.154   2.2608  391.944   7.7243  401.311   14.271  388.063   9.1862  231.545   4.1339  227.957   2.7028 3.588531 4.939015 
1 1 1    9   11   13 o   58.049   4.3655   25.390   3.7507   24.655   7.1264   25.671   4.4110   56.302   8.7755   58.255   5.1309 -1.953213 10.16541 
1 1 1    9   11   14 o   87.340   3.4184   57.070   4.4515   63.684   8.4728   54.548   5.2317   91.680   6.2354   85.320   4.1127 6.360023 7.469590 
1 1 1    9   11   15 o   72.597   4.0769   39.665   4.3950   35.927   8.2352   41.154   5.1970   68.058   8.2868   73.828   4.7464 -5.770393 9.549798 
1 1 1    9   11   16 o   51.678   5.6118   20.480   4.2545   10.889   7.6075   24.844   5.1320   36.994   12.034   56.826   6.1556 -19.83162 13.51713 
1 1 1    9   11   17 o   26.530   8.9806   5.3545   4.2273   8.7140   7.3517   3.6951   5.1669   33.409   11.816   25.080   9.7058 8.329311 15.29151 
1 1 1    9   11   18 o   20.523   8.4715   1.5659   4.2037  -6.8075   7.0061   6.2761   5.2546   19.120   9.0795   28.237   9.9897 -9.116579 13.49926 
1 1 1    9   11   19 o   17.598   7.4080   0.8391   3.3090   0.8976   5.7874   0.8107   4.0333   21.934   9.5249   18.978   8.0918 2.955309 12.49799 
1 1 1    9   12    0 o  266.639   4.0391  530.589   16.049  530.589   16.049  530.589   16.049  266.639   4.0391  266.639   4.0391 0.000000 0.000000 
1 1 1    9   12    1 o  314.060   2.8639  735.640   13.410  753.700   18.969  717.596   18.961  317.822   4.0030  310.110   4.1009 7.712494 5.730718 
1 1 1    9   12    2 o  189.033   2.4066  266.479   6.7828  260.587   11.233  269.860   8.5092  186.873   4.0317  190.210   3.0004 -3.336533 5.025646 
1 1 1    9   12    3 o  153.295   2.5057  175.256   5.7270  173.594   9.5661  176.185   7.1499  152.510   4.2069  153.684   3.1204 -1.173431 5.237846 
1 1 1    9   12    4 o  134.951   2.4963  135.827   5.0227  151.157   8.9325  128.739   6.0739  142.303   4.2101  131.366   3.1011 10.93680 5.228893 
1 1 1    9   12    5 o  199.977   2.2404  298.253   6.6800  297.126   11.155  298.884   8.3410  199.523   3.7498  200.165   2.7949 -0.6421204 4.676767 
1 1 1    9   12    6 o  243.008   1.9922  440.409   7.2182  444.499   12.876  438.535   8.7167  244.029   3.5388  242.468   2.4112 1.560532 4.282176 
1 1 1    9   12    7 o  274.506   1.9164  562.004   7.8437  579.158   12.382  550.507   10.137  278.576   2.9811  271.641   2.5029 6.934570 3.892503 
1 1 1    9   12    8 o   56.936   3.6438   24.312   3.0770   22.729   5.2786   25.127   3.7869   54.653   6.6125   57.805   4.4275 -3.152889 7.957865 
1 1 1    9   12    9 o   30.882   7.0371   7.4527   3.1680   8.3216   5.6035   7.0445   3.8407   33.156   10.274   30.102   8.2926 3.054092 13.20324 
1 1 1    9   12   10 o  237.267   2.1894  420.074   7.7451  415.532   13.797  422.164   9.3587  235.734   3.9255  237.806   2.6395 -2.071548 4.730421 
1 1 1    9   12   11 o  153.155   2.3491  175.088   5.3641  181.247   10.122  172.682   6.3255  155.584   4.3633  152.060   2.7900 3.524292 5.179055 
1 1 1    9   12   12 o   91.183   3.3041   62.161   4.4920   70.451   10.783   60.420   4.9412   96.203   7.5789   89.866   3.6878 6.337288 8.428498 
1 1 1    9   12   13 o  194.395   2.6082  282.272   7.5597  316.045   19.139  276.030   8.2288  204.730   6.2702  192.193   2.8716 12.53746 6.896453 
1 1 1    9   12   14 o   89.323   3.8303   59.780   5.1012   59.515   8.8100   59.914   6.2567   88.417   6.7336   89.184   4.7221 -0.7673340 8.224363 
1 1 1    9   12   15 o   93.623   3.4623   65.704   4.8329   59.215   8.8473   68.463   5.7699   87.949   6.7998   95.472   4.0534 -7.523239 7.916292 
1 1 1    9   12   16 o   46.914   5.7908   17.009   3.9646   21.369   8.0253   15.602   4.5599   50.730   10.933   44.506   7.1110 6.223240 13.04186 
1 1 1    9   12   17 o   74.612   4.2837   42.402   4.7454   45.754   7.7992   40.432   5.9795   76.239   6.9371   72.315   5.5893 3.924713 8.908618 
1 1 1    9   12   18 f   57.258   5.8085   25.840   4.8901   27.154   6.7841   24.419   7.0552   57.269   8.1773   53.612   9.1549 3.657322 12.27521 
1 1 1    9   12   19 o   33.229   8.9440   9.8687   4.5291   0.0000   0.0000   9.8687   4.5291  ?   ?    33.229   8.9440 0.000000 8.943964 
1 1 1    9   13    0 o  345.890   4.1862  892.788   21.582  892.788   21.582  892.788   21.582  345.890   4.1862  345.890   4.1862 0.000000 0.000000 
1 1 1    9   13    1 o  222.719   2.9358  370.022   9.7488  368.176   13.531  372.015   14.057  222.097   4.0863  223.243   4.2234 -1.145630 5.876620 
1 1 1    9   13    2 o  217.686   2.3079  353.410   7.4908  358.710   13.070  350.818   9.1409  219.222   3.9989  216.864   2.8270 2.358017 4.897246 
1 1 1    9   13    3 o  192.368   1.9774  275.961   5.6716  295.055   11.351  269.607   6.5475  198.822   3.8291  190.129   2.3097 8.693161 4.471762 
1 1 1    9   13    4 o  225.898   1.7603  380.533   5.9289  378.662   9.2779  381.825   7.7081  225.294   2.7620  226.259   2.2849 -0.9646149 3.584660 
1 1 1    9   13    5 f  149.941   2.2271  167.692   4.9788  170.497   7.5143  165.497   6.6472  151.139   3.3346  148.924   2.9937 2.215286 4.481238 
1 1 1    9   13    6 o  184.211   1.8572  253.082   5.1010  259.703   7.9754  248.499   6.6357  186.549   2.8674  182.507   2.4386 4.042511 3.764137 
1 1 1    9   13    7 o   91.255   2.3883   62.133   3.2496   53.856   5.0230   68.091   4.2615   84.897   3.9683   95.508   2.9926 -10.61098 4.970221 
1 1 1    9   13    8 o  233.045   1.9169  405.127   6.6605  412.770   10.358  399.739   8.6969  235.132   2.9546  231.437   2.5203 3.694382 3.883521 
1 1 1    9   13    9 o   83.568   2.7282   52.137   3.3993   56.213   5.2198   49.136   4.4794   86.698   4.0381   81.077   3.7055 5.620491 5.480639 
1 1 1    9   13   10 o  165.143   2.0847  203.510   5.1329  208.853   7.9861  199.750   6.7002  167.185   3.2038  163.551   2.7477 3.634216 4.220670 
1 1 1    9   13   11 o   75.754   3.4167   42.911   3.8590   34.060   7.1911   46.490   4.5733   66.742   7.3482   78.816   3.8918 -12.07356 8.315207 
1 1 1    9   13   12 o   64.046   3.8745   30.823   3.6824   37.891   7.0388   28.159   4.3209   70.514   6.7785   61.075   4.7833 9.439877 8.296300 
1 1 1    9   13   13 o  161.067   3.1265  194.010   7.5083  189.437   16.246  195.252   8.4667  158.202   6.8876  161.515   3.5159 -3.313004 7.733080 
1 1 1    9   13   14 o   86.343   3.5872   55.864   4.6179   65.380   8.6314   52.048   5.4660   92.714   6.2811   83.115   4.4268 9.599640 7.684337 
1 1 1    9   13   15 o   47.035   6.7167   17.216   4.5765   22.629   7.7467   14.314   5.6720   52.825   10.205   42.071   9.2906 10.75351 13.80077 
1 1 1    9   13   16 o   23.172   8.6784   3.4000   4.0469   2.8811   10.117   3.4988   4.4155   30.340   12.872   23.829   9.0342 6.510752 15.72607 
1 1 1    9   13   17 o   82.833   3.9673   52.124   4.8997   40.913   11.519   54.601   5.4139   68.062   11.777   84.534   4.3098 -16.47220 12.54117 
1 1 1    9   13   18 o   80.217   4.0376   49.385   4.8136   52.839   7.3068   46.736   6.3982   81.558   6.0520   77.016   5.6105 4.542801 8.252562 
1 1 1    9   14    0 o   20.874   12.782   2.7208   7.6089   2.7208   7.6089   2.7208   7.6089   20.874   12.782   20.874   12.782 0.000000 0.000000 
1 1 1    9   14    1 o  161.045   3.1985  193.536   7.6799  197.692   10.562  188.875   11.187  162.697   4.3541  159.002   4.7189 3.694809 6.420774 
1 1 1    9   14    2 o   52.817   4.3171   20.974   3.3699   19.484   7.4843   21.353   3.7742   49.947   10.389   53.242   4.8063 -3.294815 11.44655 
1 1 1    9   14    3 o  236.977   2.0706  418.845   7.3159  428.315   18.618  417.116   7.9558  239.344   5.2172  236.477   2.2565 2.866974 5.684242 
1 1 1    9   14    4 o  220.759   1.7692  363.447   5.8232  353.874   9.0898  370.111   7.5838  217.770   2.7995  222.746   2.2835 -4.975403 3.612732 
1 1 1    9   14    5 o  134.852   2.1408  135.651   4.3043  136.536   6.0147  134.722   6.1625  135.251   2.9827  134.344   3.0766 0.9067535 4.285029 
1 1 1    9   14    6 o  110.136   2.1582   90.493   3.5440   82.389   5.5959   95.921   4.5796  105.023   3.5737  113.368   2.7093 -8.344818 4.484611 
1 1 1    9   14    7 o  197.094   2.0459  289.806   6.0122  273.573   10.641  297.418   7.2870  191.332   3.7300  199.635   2.4482 -8.302505 4.461634 
1 1 1    9   14    8 o   44.872   4.1658   15.190   2.7552   20.214   4.3100   11.718   3.5829   51.599   5.6974   38.995   6.3835 12.60453 8.556215 
1 1 1    9   14    9 o  161.533   2.2587  194.742   5.4399  192.390   7.6721  197.120   7.7144  160.461   3.2068  162.424   3.1855 -1.963058 4.520129 
1 1 1    9   14   10 o   90.411   2.8525   61.065   3.8452   58.879   5.5916   63.026   5.2963   88.666   4.2297   91.770   3.8708 -3.103806 5.733507 
1 1 1    9   14   11 o   24.586   7.7690   4.5266   3.1874   2.0885   5.4448   5.7978   3.9315   24.176   9.7675   27.652   8.6120 -3.475250 13.02190 
1 1 1    9   14   12 o   83.792   3.4100   52.533   4.2602   37.730   7.5851   59.355   5.1490   70.180   7.3584   89.018   3.8795 -18.83792 8.318458 
1 1 1    9   14   13 o   84.178   4.4177   53.350   5.5251   52.662   8.3006   53.898   7.4035   83.087   6.7591   84.281   5.9295 -1.193787 8.991299 
1 1 1    9   14   14 f   17.811   7.7726  -0.6120   3.8938  -4.2389   7.1779   0.9004   4.6351   21.653   9.9068   21.124   8.8218 0.5291805 13.26530 
1 1 1    9   14   15 o   26.745   8.5778   5.5299   3.8745   2.2805   7.4365   6.7406   4.5393   26.879   11.195   29.279   9.2734 -2.400085 14.53712 
1 1 1    9   14   16 o   19.479   7.9602   1.4147   3.6651 -11.2042   6.4721   7.3715   4.4468   16.291   7.9709   29.950   9.1304 -13.65999 12.12023 
1 1 1    9   14   17 o   72.234   4.4322   40.129   4.7503   32.711   11.058   41.807   5.2604   58.846   12.955   73.527   4.8252 -14.68102 13.82413 
1 1 1    9   14   18 o   38.070   7.6163   12.330   4.1722   15.537   6.8431   10.432   5.2636   40.289   11.057   33.719   9.8517 6.570141 14.80914 
1 1 1    9   15    0 o   22.619   14.119   2.3540   9.7238   2.3540   9.7238   2.3540   9.7238   22.619   14.119   22.619   14.119 0.000000 0.000000 
1 1 1    9   15    1 o  163.393   4.3181  199.489   10.519  205.461   14.589  193.021   15.183  165.653   5.9067  160.507   6.3444 5.146469 8.668336 
1 1 1    9   15    2 o   61.269   2.1038   28.001   1.9218   26.367   3.5382   28.685   2.2889   59.273   4.0275   62.006   2.4759 -2.732182 4.727651 
1 1 1    9   15    3 o  251.944   2.0805  473.490   7.8154  472.513   14.563  473.885   9.2622  251.496   3.8837  252.019   2.4650 -0.5229950 4.599927 
1 1 1    9   15    4 o  153.711   1.8081  176.225   4.1438  177.511   6.6027  175.389   5.3225  154.213   2.8716  153.321   2.3283 0.8919220 3.696942 
1 1 1    9   15    5 o  130.159   2.2353  126.402   4.3379  117.319   5.9082  137.024   6.3894  125.343   3.1614  135.461   3.1635 -10.11757 4.472441 
1 1 1    9   15    6 o  289.010   1.9419  623.114   8.3678  608.464   12.717  634.301   11.112  285.456   2.9879  291.518   2.5566 -6.061920 3.932458 
1 1 1    9   15    7 o  146.272   2.2279  159.664   4.8588  161.732   9.2170  158.868   5.7177  147.025   4.2047  145.878   2.6288 1.146698 4.958820 
1 1 1    9   15    8 o   80.032   2.7200   47.831   3.2456   52.553   5.0843   44.583   4.2165   83.802   4.0692   77.214   3.6626 6.587723 5.474761 
1 1 1    9   15    9 f   18.650   7.4474   1.3362   3.1253   6.8199   4.3306  -4.6244   4.5149   29.797   8.9941   15.953   7.4872 13.84363 11.70268 
1 1 1    9   15   10 o  177.049   2.2477  234.028   5.9333  242.117   10.148  229.826   7.3137  179.842   3.7846  175.383   2.7969 4.459091 4.705911 
1 1 1    9   15   11 o  102.663   2.7081   78.755   4.1452   77.484   6.4776   79.637   5.3944  101.655   4.2738  103.155   3.5074 -1.499306 5.528752 
1 1 1    9   15   12 o   37.930   6.3104   11.156   3.4433   9.0444   5.3339   12.665   4.5087   33.891   9.9217   40.130   7.8164 -6.239361 12.63078 
1 1 1    9   15   13 o   48.323   6.5245   18.035   4.5805   17.485   7.4405   18.370   5.8126   46.355   10.941   48.266   8.3812 -1.911118 13.78258 
1 1 1    9   15   14 o   54.301   5.0348   22.494   4.0298   8.7047   7.4229   28.257   4.7985   34.006   11.886   60.829   5.3451 -26.82327 13.03242 
1 1 1    9   15   15 f  129.109   3.0799  125.276   5.9288  140.839   14.347  122.071   6.5107  134.339   7.1889  127.323   3.4297 7.016273 7.965125 
1 1 1    9   15   16 o   59.240   4.5831   26.994   4.0166   19.753   7.1363   30.352   4.8593   47.699   10.333   62.539   5.2603 -14.84052 11.59518 
1 1 1    9   15   17 o   51.523   6.1189   21.278   4.6086   15.460   6.5379   27.025   6.4974   41.038   10.608   56.931   7.8646 -15.89327 13.20521 
1 1 1    9   15   18 o   14.685   6.9313  -3.3730   3.9677  -1.8930   6.6490  -4.1915   4.9446   20.439   9.4184   16.164   7.6618 4.274351 12.14127 
1 1 1    9   16    0 o   18.386   11.973  -0.6549   7.9425  -0.6549   7.9425  -0.6549   7.9425   18.386   11.973   18.386   11.973 0.000000 0.000000 
1 1 1    9   16    1 o  152.171   2.2864  172.770   5.1875  171.923   5.8447  175.911   11.260  151.781   2.5827  153.316   4.9259 -1.535477 5.561901 
1 1 1    9   16    2 o  224.258   2.1009  375.192   7.0245  383.736   9.2506  363.554   10.796  226.740   2.7363  220.638   3.2817 6.102676 4.272855 
1 1 1    9   16    3 o  193.362   1.5951  278.852   4.5987  263.836   7.7839  286.904   5.6998  187.999   2.7770  196.112   1.9493 -8.113022 3.392860 
1 1 1    9   16    4 o   96.267   2.0866   69.143   2.9950   72.555   5.0269   67.265   3.7290   98.547   3.4213   94.928   2.6347 3.618614 4.318188 
1 1 1    9   16    5 o   21.206   6.4960   3.3840   2.2474   6.4110   3.5161   1.2932   2.9223   28.712   7.9447   18.144   7.2151 10.56822 10.73204 
1 1 1    9   16    6 o  262.575   2.3421  514.596   9.1691  512.411   14.048  516.217   12.103  261.804   3.5988  262.872   3.0879 -1.068237 4.741998 
1 1 1    9   16    7 o   78.281   3.0026   45.783   3.5045   42.512   6.9243   46.909   4.0633   74.909   6.2570   79.211   3.4405 -4.302139 7.140489 
1 1 1    9   16    8 o   92.181   2.5192   63.455   3.4624   56.457   5.4230   68.270   4.4987   86.820   4.1894   95.569   3.1572 -8.749069 5.245860 
1 1 1    9   16    9 o   79.865   3.3197   47.706   3.9530   47.788   5.3844   47.610   5.8220   79.692   4.5505   79.477   4.9375 0.2143860 6.714661 
1 1 1    9   16   10 o  102.653   2.6316   78.734   4.0277   89.691   6.4182   71.616   5.1731  109.412   3.9344   97.813   3.5472 11.59818 5.297351 
1 1 1    9   16   11 o   48.951   5.2961   18.245   3.8037   18.025   7.3641   18.326   4.4422   47.345   10.686   48.864   6.2398 -1.519638 12.37421 
1 1 1    9   16   12 o  101.694   3.2489   77.438   4.9261   84.414   8.5554   73.978   6.0250  105.619   5.4514   99.272   4.0706 6.346878 6.803531 
1 1 1    9   16   13 o   82.614   3.7904   51.276   4.6688   55.666   6.6011   46.882   6.6044   85.637   5.1945   78.421   5.6871 7.215645 7.702302 
1 1 1    9   16   14 o   63.878   4.8720   31.130   4.6051   16.690   7.4250   40.156   5.8707   44.450   11.206   72.390   5.4799 -27.94067 12.47453 
1 1 1    9   16   15 o   29.627   8.2777   7.2532   3.7977   16.948   6.9762   3.1705   4.5273   44.225   10.697   23.264   9.0622 20.96107 14.01939 
1 1 1    9   16   16 o   26.537   8.3231   5.8642   3.6649   0.1119   6.8632   8.1588   4.3347   23.031   10.175   30.791   8.9242 -7.759373 13.53434 
1 1 1    9   16   17 o   27.510   8.2112   6.5904   3.6244   21.743   6.7805   0.5293   4.2885   49.130   9.6007   18.929   8.2095 30.20127 12.63204 
1 1 1    9   17    0 f   25.539   14.401   6.6008   8.3701   6.6008   8.3701   6.6008   8.3701   25.539   14.401   25.539   14.401 0.000000 0.000000 
1 1 1    9   17    1 o   70.765   2.9356   37.395   3.0973   37.629   3.3122   35.765   8.7426   70.978   3.1298   68.211   8.8017 2.767418 9.341615 
1 1 1    9   17    2 o  142.915   2.0951  152.398   4.4644  147.972   5.8883  158.381   6.8468  140.776   2.8054  145.612   3.1537 -4.836777 4.220880 
1 1 1    9   17    3 f   73.785   2.0424   40.621   2.2469   36.104   4.1134   42.542   2.6824   69.362   3.9944   75.497   2.3830 -6.135628 4.651207 
1 1 1    9   17    4 o  148.807   1.9175  165.212   4.2544  166.663   6.7084  164.236   5.5024  149.370   3.0122  148.326   2.4881 1.044128 3.906914 
1 1 1    9   17    5 o  101.217   2.3226   76.473   3.5051   74.035   6.1083   77.669   4.2799   99.454   4.1193  101.976   2.8149 -2.521217 4.989238 
1 1 1    9   17    6 o  169.255   2.1724  213.822   5.4822  203.148   7.4461  226.458   8.1015  164.882   3.0289  174.072   3.1215 -9.189697 4.349476 
1 1 1    9   17    7 o   93.179   2.7949   64.868   3.8829   65.429   7.5687   64.668   4.5235   93.133   5.4748   92.998   3.2624 0.1350403 6.373064 
1 1 1    9   17    8 f   90.693   2.6173   61.448   3.5391   63.205   5.4899   60.198   4.6295   91.850   4.0088   89.695   3.4618 2.155289 5.296641 
1 1 1    9   17    9 f  101.981   3.0956   77.782   4.7069   74.660   5.9161   83.165   7.7694   99.810   3.9755  105.189   4.9539 -5.378532 6.351828 
1 1 1    9   17   10 o  105.349   2.9316   82.994   4.6047   88.764   6.5951   77.505   6.4320  108.795   4.0658  101.634   4.2446 7.160896 5.877711 
1 1 1    9   17   11 o  186.318   2.4571  259.438   6.8258  267.436   12.987  256.385   8.0234  188.573   4.6192  185.126   2.9068 3.447006 5.457697 
1 1 1    9   17   12 o  105.218   3.0807   82.935   4.8329   99.443   8.9761   76.196   5.7351  114.685   5.2494  100.721   3.8190 13.96346 6.491644 
1 1 1    9   17   13 o   70.943   3.8416   38.005   4.0483   45.336   6.5599   33.496   5.1448   76.914   5.7622   66.213   5.2546 10.70123 7.798333 
1 1 1    9   17   14 f   13.777   6.5774  -4.6918   3.7786  -3.0221   5.8247  -5.9050   4.9651   19.502   8.9230   15.833   7.5537 3.668269 11.69099 
1 1 1    9   17   15 o   50.803   5.5015   20.238   4.1006   21.300   7.6084   19.804   4.8681   49.056   10.703   49.650   6.7512 -0.5936775 12.65461 
1 1 1    9   17   16 o   25.465   9.0452   5.2761   4.3121   1.9072   6.0999   8.6414   6.0966   23.170   9.9169   30.983   10.775 -7.812508 14.64400 
1 1 1    9   17   17 o   38.845   7.0216   12.851   3.9170   16.687   6.8944   11.022   4.7599   40.783   11.059   34.467   9.1205 6.315094 14.33514 
1 1 1    9   18    0 o   93.481   6.6311   66.394   9.1356   66.394   9.1356   66.394   9.1356   93.481   6.6311   93.481   6.6311 0.000000 0.000000 
1 1 1    9   18    1 o   82.578   2.8569   50.934   3.5175   52.154   3.8142   43.990   9.0972   83.550   3.0618   75.804   8.1786 7.745865 8.732974 
1 1 1    9   18    2 o   9.9154   4.3359  -0.2787   1.2173   0.9338   2.8103  -0.5587   1.3506   17.272   7.0035   10.001   4.4606 7.270867 8.303357 
1 1 1    9   18    3 o  201.155   1.8833  301.918   5.6483  308.129   8.5788  297.166   7.5043  203.100   2.8330  199.496   2.5229 3.604477 3.793554 
1 1 1    9   18    4 o  122.251   2.5255  111.602   4.6033  115.462   6.9227  108.543   6.1634  124.223   3.7377  120.478   3.4312 3.744675 5.073806 
1 1 1    9   18    5 o  144.959   2.4001  156.905   5.1873  145.134   6.5111  177.356   8.5824  139.336   3.1342  153.939   3.7393 -14.60251 4.879077 
1 1 1    9   18    6 o  153.770   2.6836  176.658   6.1526  175.876   7.0845  179.056   12.411  153.374   3.0980  154.298   5.3948 -0.9243774 6.221033 
1 1 1    9   18    7 o  208.025   2.5539  323.296   7.9212  322.549   12.699  323.771   10.134  207.435   4.1060  208.037   3.2672 -0.6021729 5.247324 
1 1 1    9   18    8 o   45.668   5.1644   15.887   3.4546   12.391   4.6349   20.257   5.1817   39.627   8.1179   51.249   6.9615 -11.62252 10.69402 
1 1 1    9   18    9 o   19.889   7.9146   1.6299   3.5186  -0.4557   4.6928   4.3082   5.3178   19.858   8.6001   26.667   9.9559 -6.809420 13.15601 
1 1 1    9   18   10 o  115.160   2.9098   99.217   4.9962   92.924   6.9029  106.141   7.2407  111.242   4.1619  118.906   4.0842 -7.664253 5.831108 
1 1 1    9   18   11 o  129.723   2.7797  125.941   5.3763  118.006   9.9471  129.215   6.3901  124.917   5.3408  131.301   3.2641 -6.384338 6.259258 
1 1 1    9   18   12 o   97.350   2.9576   71.053   4.2929   73.742   6.9498   69.393   5.4588   98.744   4.7206   96.027   3.8127 2.716942 6.067990 
1 1 1    9   18   13 o   92.615   3.0951   64.489   4.2739   63.383   6.7991   65.212   5.4954   91.060   5.0274   92.880   3.9683 -1.819893 6.404849 
1 1 1    9   18   14 f   49.826   5.9524   19.561   4.3345   25.596   7.4309   16.448   5.3363   55.113   9.3791   44.509   8.3479 10.60337 12.55602 
1 1 1    9   18   15 o   11.775   5.7826  -6.5316   3.5033  -8.5047   6.3483  -5.6676   4.2008   16.823   8.1554   13.954   6.7326 2.869127 10.57532 
1 1 1    9   18   16 o   12.608   6.1676  -6.4065   3.8675 -12.1969   9.4156  -5.2312   4.2419   19.509   9.5602   14.118   6.7999 5.390917 11.73180 
1 1 1    9   19    0 o  148.956   2.6176  165.690   5.8094  165.690   5.8094  165.690   5.8094  148.956   2.6176  148.956   2.6176 0.000000 0.000000 
1 1 1    9   19    1 o   76.360   3.0768   43.584   3.5030   45.759   3.7535   28.902   9.7513   78.232   3.2180   60.313   11.258 17.91900 11.70872 
1 1 1    9   19    2 o   94.990   1.7946   67.329   2.5416   71.983   4.7064   65.413   3.0198   98.118   3.2172   93.609   2.1637 4.508949 3.877071 
1 1 1    9   19    3 o   96.199   1.9657   69.069   2.8194   64.267   5.7610   70.581   3.2330   92.607   4.1723   97.230   2.2302 -4.622467 4.730960 
1 1 1    9   19    4 o   65.070   2.9865   31.653   2.8975   27.563   5.1778   33.518   3.4961   60.210   5.8413   66.831   3.5210 -6.620815 6.820419 
1 1 1    9   19    5 o   95.281   2.3891   67.808   3.3940   67.229   5.2137   68.234   4.4712   94.750   3.6906   95.514   3.1397 -0.7646866 4.845404 
1 1 1    9   19    6 o   52.284   4.4703   20.669   3.4513   24.281   4.9564   17.268   4.8086   56.412   5.9843   47.229   7.0441 9.182529 9.242900 
1 1 1    9   19    7 o   67.244   3.2193   33.840   3.2277   32.659   5.0214   34.671   4.2134   65.664   5.1708   67.849   4.1855 -2.184799 6.652440 
1 1 1    9   19    8 o  111.753   2.6266   93.355   4.3764   95.535   6.3678   91.403   6.0248  112.886   3.7834  110.437   3.6589 2.448669 5.263246 
1 1 1    9   19    9 o   56.137   4.0995   23.788   3.4075   25.801   5.3671   22.429   4.4103   58.005   6.3076   54.220   5.5332 3.785107 8.390558 
1 1 1    9   19   10 o  104.627   3.0551   81.998   4.7658   87.473   6.7322   76.497   6.7475  107.838   4.1871  100.778   4.4907 7.059700 6.139867 
1 1 1    9   19   11 o   82.060   3.9154   50.695   4.7904   68.374   13.880   48.304   5.1041   92.243   10.266   79.910   4.2998 12.33340 11.13012 
1 1 1    9   19   12 o   23.395   8.0280   4.0299   3.3788   3.0001   5.5692   4.6297   4.2504   24.768   9.9233   25.342   8.9825 -0.5742970 13.38498 
1 1 1    9   19   13 o   31.911   7.1901   8.3340   3.3389   13.137   5.3358   5.2430   4.2806   39.358   9.2492   26.048   9.0304 13.31041 12.92656 
1 1 1    9   19   14 o   22.294   7.7436   3.8318   3.1483   3.7435   5.0562   3.8877   4.0234   24.168   9.5285   23.246   8.6635 0.9214039 12.87820 
1 1 1    9   19   15 o   30.932   7.4318   8.2167   3.3847   9.8332   4.9067   6.7492   4.6749   32.768   9.4942   27.687   9.4438 5.080647 13.39124 
1 1 1    9   19   16 f   28.840   8.5349   7.6868   3.9283   14.527   10.174   6.4886   4.2585   34.565   13.552   26.549   9.0135 8.015818 16.27545 
1 1 1    9   20    0 o  173.427   2.9590  224.677   7.6462  224.677   7.6462  224.677   7.6462  173.427   2.9590  173.427   2.9590 0.000000 0.000000 
1 1 1    9   20    1 o   82.960   3.4953   51.518   4.3233   51.518   4.3233   0.0000   0.0000   82.960   3.4953  ?   ?  0.000000 3.495275 
1 1 1    9   20    2 o   75.781   2.0128   42.871   2.2742   49.476   4.7381   40.894   2.5923   81.252   3.9111   73.994   2.3497 7.257774 4.562685 
1 1 1    9   20    3 o  115.974   1.8226  100.386   3.1516  112.354   5.8933   95.592   3.7297  122.540   3.2256  113.140   2.2110 9.400162 3.910639 
1 1 1    9   20    4 o   99.979   2.4477   74.682   3.6486   70.939   5.8096   77.119   4.6887   97.263   4.0062  101.531   3.0973 -4.267647 5.063844 
1 1 1    9   20    5 o  106.465   2.8542   84.762   4.5307   81.171   6.1492   89.027   6.7010  104.035   3.9643  108.926   4.1261 -4.891167 5.721929 
1 1 1    9   20    6 o   88.021   3.1027   57.980   4.0719   59.488   5.4266   56.038   6.1600   89.033   4.0880   86.172   4.8138 2.861328 6.315356 
1 1 1    9   20    7 o  103.508   2.5318   80.086   3.9072   87.303   6.0089   74.799   5.1429  107.900   3.7351   99.917   3.4522 7.982582 5.086150 
1 1 1    9   20    8 o  102.704   2.7225   78.905   4.1689   77.556   6.1884   80.026   5.6410  101.604   4.0851  103.287   3.6630 -1.682999 5.486845 
1 1 1    9   20    9 o  194.287   2.2544  282.170   6.5305  283.257   9.7041  281.270   8.8290  194.341   3.3490  193.756   3.0562 0.5854645 4.533933 
1 1 1    9   20   10 o   78.865   3.2471   46.688   3.8181   51.420   6.0373   43.534   4.9290   82.250   4.9460   75.819   4.3789 6.431335 6.605868 
1 1 1    9   20   11 o   85.328   3.3688   54.797   4.2859   64.235   8.0142   51.016   5.0721   91.312   5.9184   82.027   4.1609 9.285416 7.234645 
1 1 1    9   20   12 o   79.024   3.4911   47.199   4.1133   35.043   6.8837   53.950   5.1297   66.395   7.0621   84.275   4.0825 -17.87934 8.157212 
1 1 1    9   20   13 o   28.417   7.3619   6.7539   3.1443   8.8646   5.0651   5.4306   4.0106   31.826   9.7526   25.846   8.7475 5.979282 13.10077 
1 1 1    9   20   14 o   78.679   3.6066   47.341   4.2309   57.741   6.2801   38.698   5.7252   85.841   4.9275   69.766   5.5498 16.07483 7.421607 
1 1 1    9   20   15 o   22.515   7.8299   4.2513   3.2193   9.7536   5.0655   0.5231   4.1697   31.835   9.7526   18.378   8.0310 13.45734 12.63367 
1 1 1    9   21    0 o  204.316   3.0137  311.844   9.1763  311.844   9.1763  311.844   9.1763  204.316   3.0137  204.316   3.0137 0.000000 0.000000 
1 1 1    9   21    1 o   85.269   2.2655   54.313   2.8802   55.148   4.4316   53.702   3.7898   85.806   3.4640   84.723   3.0002 1.083054 4.582588 
1 1 1    9   21    2 o   34.297   3.8697   8.9315   1.9442   15.233   9.9096   8.6793   1.9827   43.524   13.692   33.779   4.0155 9.745296 14.26852 
1 1 1    9   21    3 o  122.740   1.7840  112.454   3.2648  114.482   6.0748  111.631   3.8714  123.649   3.2951  122.257   2.1239 1.392075 3.920290 
1 1 1    9   21    4 o  117.765   2.3287  103.624   4.0889  107.571   6.2561  100.682   5.4025  119.815   3.5021  115.976   3.1243 3.839485 4.693177 
1 1 1    9   21    5 o   96.262   2.5250   69.271   3.6240   68.281   5.6442   69.965   4.7272   95.379   3.9690   96.652   3.2804 -1.272491 5.149131 
1 1 1    9   21    6 o   30.229   7.5250   7.2581   3.3783   5.8906   4.4470   9.1244   5.1951   28.024   9.2050   33.829   9.7598 -5.805628 13.41585 
1 1 1    9   21    7 o   75.841   3.1986   43.102   3.6169   48.203   5.4042   38.963   4.8679   79.867   4.5572   71.775   4.5727 8.092087 6.455792 
1 1 1    9   21    8 o   69.428   3.4072   36.175   3.5269   44.306   5.4390   30.275   4.6331   76.441   4.7965   63.091   4.9654 13.34927 6.903760 
1 1 1    9   21    9 o   91.841   2.9776   63.268   4.0773   57.437   6.0364   68.160   5.5292   86.999   4.6707   95.117   3.8988 -8.118668 6.084120 
1 1 1    9   21   10 o   80.905   3.2274   49.238   3.8932   52.033   5.9553   47.153   5.1448   82.567   4.8590   78.754   4.3991 3.813553 6.554511 
1 1 1    9   21   11 o   55.799   5.2934   24.143   4.3511   38.205   6.5660   13.134   5.8100   69.735   6.3860   39.110   9.9421 30.62473 11.81634 
1 1 1    9   21   12 o   46.947   4.8976   17.190   3.3777   13.707   5.2902   19.588   4.3888   39.799   9.1117   49.592   6.0618 -9.792477 10.94388 
1 1 1    9   21   13 o   82.745   4.0387   52.668   4.9826   55.431   6.3072   48.081   8.1265   84.025   5.0581   76.268   7.2329 7.756905 8.826066 
1 1 1    9   21   14 o   31.544   7.6995   8.7864   3.5894   11.823   5.0468   5.6783   5.1062   35.459   9.3954   25.740   9.7255 9.719370 13.52255 
1 1 1    9   22    0 o  125.424   2.9606  117.647   5.5295  117.647   5.5295  117.647   5.5295  125.424   2.9606  125.424   2.9606 0.000000 0.000000 
1 1 1    9   22    1 o   87.265   2.2953   56.905   2.9864   55.698   4.4724   57.877   4.0118   86.202   3.4798   87.926   3.0602 -1.723541 4.633968 
1 1 1    9   22    2 o   32.076   4.3214   7.8714   2.0141   11.490   8.8507   7.6738   2.0684   38.554   12.995   31.627   4.5144 6.926197 13.75672 
1 1 1    9   22    3 o  154.151   1.9085  177.449   4.3864  174.089   7.2765  179.366   5.4976  152.451   3.2012  154.909   2.3803 -2.458054 3.989190 
1 1 1    9   22    4 o  171.287   2.0749  219.178   5.2990  221.186   8.1125  217.683   6.9983  171.832   3.1665  170.567   2.7519 1.264816 4.195188 
1 1 1    9   22    5 o   64.946   3.2893   31.701   3.1748   28.322   4.9464   34.067   4.1400   60.924   5.5048   67.176   4.1539 -6.251740 6.896194 
1 1 1    9   22    6 o  114.481   2.8201   98.143   4.8135   94.309   6.2033  103.945   7.6311  112.038   3.7135  117.451   4.3577 -5.412735 5.725395 
1 1 1    9   22    7 o   82.508   2.9886   51.042   3.6765   49.109   5.4625   52.642   4.9710   80.498   4.5701   83.605   3.9879 -3.106468 6.065405 
1 1 1    9   22    8 o  140.740   2.3564  148.286   4.9446  143.141   7.2721  152.710   6.7433  137.914   3.5365  142.581   3.1721 -4.666534 4.750694 
1 1 1    9   22    9 o  128.185   2.5160  123.215   4.8086  113.065   6.9527  132.521   6.6576  122.329   3.8120  132.631   3.3667 -10.30211 5.085862 
1 1 1    9   22   10 o   27.368   8.5756   6.1179   3.8917   10.848   6.4339   3.3890   4.8871   35.307   11.020   23.937   9.3900 11.37018 14.47823 
1 1 1    9   22   11 o   22.990   7.9590   4.1037   3.3245   7.9828   5.1092   1.2551   4.3782   30.372   9.8612   20.225   8.5179 10.14649 13.03066 
1 1 1    9   22   12 o   35.141   6.6866   10.267   3.3754   9.0703   4.9631   11.298   4.6042   31.586   9.6497   35.725   8.7203 -4.139246 13.00612 
1 1 1    9   22   13 o   12.677   6.0608  -3.6389   3.2328  -7.0197   4.6077  -0.3612   4.5370   13.851   6.7664   18.207   8.1442 -4.355914 10.58837 
1 1 1    9   22   14 o   60.977   4.7139   29.773   4.2523   33.015   5.6920   25.679   6.3969   62.743   6.1642   52.934   8.3846 9.808899 10.40665 
1 1 1    9   23    0 o   15.055   8.4098   2.3281   2.8199   2.3281   2.8199   2.3281   2.8199   15.055   8.4098   15.055   8.4098 0.000000 0.000000 
1 1 1    9   23    1 f   38.631   3.8940   11.326   2.2122   11.960   3.5089   10.908   2.8500   39.201   6.2105   37.636   5.2194 1.565189 8.112470 
1 1 1    9   23    2 o   31.050   6.1348   7.5783   2.7394  -1.5516   8.3671   8.6744   2.8992   25.391   11.226   33.289   6.0647 -7.897993 12.75904 
1 1 1    9   23    3 o   93.638   2.1784   65.542   3.0413   69.647   5.3863   63.621   3.6849   96.272   3.7525   92.192   2.6808 4.079834 4.611690 
1 1 1    9   23    4 o   15.356   6.4729   0.2646   2.5319   3.5906   4.2037  -1.6287   3.1716   23.874   8.8639   14.806   6.6997 9.068579 11.11103 
1 1 1    9   23    5 o   72.923   2.8590   39.857   3.1085   43.359   5.5015   38.214   3.7676   75.514   4.9131   71.302   3.5440 4.211456 6.057937 
1 1 1    9   23    6 o   51.667   4.9261   20.432   3.7488   22.296   4.6555   16.993   6.3224   53.697   5.9130   45.466   9.6265 8.231327 11.29746 
1 1 1    9   23    7 o   74.618   3.2784   41.891   3.6473   41.920   5.3483   41.866   4.9869   74.086   4.8689   74.155   4.5322 -0.6932068E-01 6.651848 
1 1 1    9   23    8 o   48.862   4.5499   18.324   3.2765   15.659   4.7226   20.798   4.5497   44.081   7.4511   51.550   6.0337 -7.468922 9.587733 
1 1 1    9   23    9 o   31.568   7.0996   8.1859   3.2606   0.2141   4.9573   14.264   4.3286   20.335   8.8229   41.890   7.1895 -21.55528 11.38124 
1 1 1    9   23   10 o   44.116   5.5122   15.425   3.5466   16.126   4.9944   14.712   5.0371   43.819   7.9368   41.523   8.4243 2.295841 11.57417 
1 1 1    9   23   11 o   18.586   7.5530   1.7065   3.2767  -2.1538   4.9418   4.7354   4.3774   17.711   8.1460   24.448   9.0514 -6.737118 12.17726 
1 1 1    9   23   12 o   16.409   7.1273   0.3014   3.2418   1.9161   4.7084  -1.1539   4.4700   20.718   8.7851   17.360   7.8941 3.358404 11.81076 
1 1 1    9   23   13 o   30.907   7.3603   8.5796   3.3431   6.4272   4.9230   10.422   4.5542   25.982   9.6030   32.772   9.0310 -6.789707 13.18245 
1 1 1    9   24    0 o   76.439   3.6318   43.994   4.1178   43.994   4.1178   43.994   4.1178   76.439   3.6318   76.439   3.6318 0.000000 0.000000 
1 1 1    9   24    1 o   13.734   5.8379   0.0842   2.0877  -2.6980   3.3280   1.8895   2.6809   14.195   6.5840   18.431   7.0270 -4.235790 9.629552 
1 1 1    9   24    2 o   73.162   2.7539   40.116   3.0040   47.037   4.9674   36.125   3.7718   78.826   4.2422   69.191   3.6694 9.635170 5.608975 
1 1 1    9   24    3 o   67.764   2.6212   34.407   2.6483   34.995   4.7595   34.143   3.1872   67.794   4.7385   67.424   3.1704 0.3700104 5.701310 
1 1 1    9   24    4 o   89.917   2.5125   60.578   3.3684   55.642   5.4255   63.674   4.2968   85.778   4.2423   92.058   3.1305 -6.280197 5.272259 
1 1 1    9   24    5 o   15.492   6.5305   0.3332   2.5775   0.0709   4.3436   0.4757   3.2022   19.305   8.3173   17.270   7.2796 2.034304 11.05310 
1 1 1    9   24    6 o   19.761   7.8052   1.9558   3.3985  -2.9901   4.3407   9.7894   5.4628   16.385   7.5712   34.077   10.059 -17.69199 12.59021 
1 1 1    9   24    7 o   44.020   4.8320   15.009   3.1192   11.845   4.6496   17.599   4.2060   37.630   8.4892   47.205   6.1201 -9.574593 10.46531 
1 1 1    9   24    8 o   19.951   7.6797   2.4290   3.2214   4.5766   5.0609   0.9662   4.1768   25.421   9.6637   19.598   8.2902 5.822266 12.73242 
1 1 1    9   24    9 o   99.255   2.9834   74.609   4.4151   70.912   7.2240   76.814   5.5781   95.220   5.1069  100.270   3.7312 -5.049194 6.324765 
1 1 1    9   24   10 o   50.984   5.4527   20.816   4.0807   22.855   6.1364   19.199   5.4638   51.277   8.3108   47.118   8.0676 4.159485 11.58260 
1 1 1    9   24   11 o   40.836   5.6896   13.673   3.3701   14.245   5.1134   13.235   4.4810   39.240   8.9394   38.495   8.0654 0.7448997 12.04008 
1 1 1    9   24   12 o   43.932   6.4767   16.524   4.1151   19.878   5.0193   9.6458   7.1868   47.425   7.3352   29.569   11.446 17.85686 13.59442 
1 1 1    9   25    0 o   78.504   3.6729   46.448   4.2776   46.448   4.2776   46.448   4.2776   78.504   3.6729   78.504   3.6729 0.000000 0.000000 
1 1 1    9   25    1 o   40.974   4.0389   12.821   2.4353   10.897   3.7804   14.187   3.1841   36.819   7.1442   42.837   5.0846 -6.017838 8.768849 
1 1 1    9   25    2 o   62.920   3.0417   29.775   2.8535   32.522   4.7450   28.218   3.5715   65.126   4.9230   60.949   3.9515 4.177544 6.312690 
1 1 1    9   25    3 o   46.454   3.2847   16.342   2.2604   21.696   4.3808   14.400   2.6388   52.826   5.6497   43.390   4.1286 9.435280 6.997487 
1 1 1    9   25    4 o   62.969   3.0389   29.861   2.8530   23.150   5.0014   33.098   3.4737   54.233   6.3029   66.085   3.5383 -11.85287 7.228093 
1 1 1    9   25    5 o   37.575   5.0381   11.029   2.7514   25.858   5.7838   6.6917   3.1280   56.862   6.9680   28.498   7.3224 28.36409 10.10789 
1 1 1    9   25    6 f   74.599   3.7928   42.444   4.2046   32.796   10.600   44.245   4.5804   59.522   12.349   76.049   4.0542 -16.52701 12.99774 
1 1 1    9   25    7 o   27.467   7.2018   6.3357   2.9855   7.0371   4.5506   5.8056   3.9559   28.592   9.3077   26.338   8.6833 2.253742 12.72927 
1 1 1    9   25    8 o   44.155   5.9606   15.787   3.8238   13.885   4.7817   19.160   6.3683   39.945   8.2999   46.077   9.5821 -6.132492 12.67695 
1 1 1    9   25    9 o   13.828   6.3813  -1.7543   3.0681  -7.0032   5.0766   1.2660   3.8509   14.826   7.2112   18.783   7.9537 -3.957677 10.73609 
1 1 1    9   25   10 o   51.764   4.8186   21.429   3.6762   22.994   4.9148   19.442   5.5389   52.306   6.4380   46.392   8.3131 5.914459 10.51450 
1 1 1    9   25   11 o   35.387   6.3641   10.813   3.2343   7.3500   4.8027   13.687   4.3751   27.050   9.5524   38.588   7.8712 -11.53804 12.37758 
1 1 1    9   26    0 o   56.014   4.5098   24.054   3.7103   24.054   3.7103   24.054   3.7103   56.014   4.5098   56.014   4.5098 0.000000 0.000000 
1 1 1    9   26    1 o   25.896   6.1047   5.4372   2.3186   5.6577   3.5939   5.2801   3.0346   26.299   8.2411   25.400   7.4972 0.8988419 11.14106 
1 1 1    9   26    2 o   26.062   6.2400   5.5292   2.3926   2.6943   4.0286   7.0738   2.9738   21.656   8.5158   29.325   6.9141 -7.669209 10.96921 
1 1 1    9   26    3 o   11.391   5.2252  -1.2932   2.0146   3.2261   4.0928  -2.7383   2.3144   22.441   8.6511   10.920   5.1952 11.52069 10.09118 
1 1 1    9   26    4 o   50.648   3.5967   19.608   2.6984   32.152   5.1090   14.755   3.1778   64.008   5.4039   43.381   5.0050 20.62715 7.365597 
1 1 1    9   26    5 o   61.474   3.0495   28.640   2.7950   32.757   5.2647   27.024   3.2982   64.350   5.5414   59.360   3.7458 4.989262 6.688620 
1 1 1    9   26    6 o   38.935   5.2227   12.099   2.9554   9.5699   7.0757   12.633   3.2527   31.842   11.553   39.572   5.6755 -7.730471 12.87145 
1 1 1    9   26    7 o   24.105   7.4067   4.9890   2.9191   7.0602   4.3749   3.3267   3.9192   27.911   9.1282   21.688   8.4363 6.223488 12.42957 
1 1 1    9   26    8 o   30.481   7.9465   8.3804   3.6484   12.529   5.4241   4.9528   4.9304   35.855   9.8456   24.446   9.4752 11.40934 13.66442 
1 1 1    9   26    9 o   15.911   6.9277   0.3759   3.0776   8.1927   4.7012  -5.4863   4.0712   28.775   9.4650   13.305   6.4683 15.46993 11.46408 
1 1 1    9   26   10 o   46.176   5.5841   17.880   3.7664   22.163   5.1155   12.809   5.5661   49.897   7.0741   34.462   10.149 15.43482 12.37083 
1 1 1    9   27    0 o   53.991   4.7259   22.533   3.7372   22.533   3.7372   22.533   3.7372   53.991   4.7259   53.991   4.7259 0.000000 0.000000 
1 1 1    9   27    1 o   51.068   4.4997   20.326   3.3911   2.2781   10.429   22.460   3.5860   27.653   12.360   53.688   4.5220 -26.03511 13.16115 
1 1 1    9   27    2 o   22.208   6.7375   4.0794   2.4256   8.5503   3.9925   1.4634   3.0539   31.189   8.3986   17.855   7.2778 13.33411 11.11312 
1 1 1    9   27    3 o   55.044   2.9124   23.048   2.3817   26.595   4.7061   21.827   2.7614   57.692   5.5392   53.329   3.4923 4.363274 6.548211 
1 1 1    9   27    4 o   14.482   6.0984   0.5176   2.2437   2.8980   4.2830  -0.3827   2.6340   21.560   8.6796   14.225   6.2933 7.334518 10.72109 
1 1 1    9   27    5 o   42.882   4.0067   14.363   2.5320   12.443   4.8156   15.097   2.9767   36.811   8.8773   43.639   4.6465 -6.828091 10.01981 
1 1 1    9   27    6 o   41.876   4.6798   14.000   2.8719   14.928   7.2137   13.825   3.1307   37.104   11.684   41.300   5.1994 -4.195812 12.78822 
1 1 1    9   27    7 o   41.736   5.1536   14.207   3.1388   11.085   4.6899   16.740   4.2244   33.793   9.1038   44.198   6.6138 -10.40494 11.25262 
1 1 1    9   27    8 o   17.127   7.2706   1.2451   3.2309   2.3191   4.5834   0.1844   4.5551   20.202   8.6199   18.055   8.1124 2.146406 11.83697 
1 1 1    9   27    9 f   21.761   7.4737   4.3804   2.9286   0.7102   4.4331   7.2225   3.9011   18.019   8.0558   26.668   8.6128 -8.649115 11.79309 
1 1 1    9   28    0 o   43.050   5.4988   14.823   3.3722   14.823   3.3722   14.823   3.3722   43.050   5.4988   43.050   5.4988 0.000000 0.000000 
1 1 1    9   28    1 o   13.997   6.2763  -0.6385   2.7119  -1.6490   7.5235  -0.4876   2.9074   21.309   9.8893   14.660   6.5412 6.649603 11.85687 
1 1 1    9   28    2 o   41.168   4.0527   13.314   2.4553   12.942   3.8530   13.568   3.1860   38.814   6.9112   40.810   5.3662 -1.995514 8.749922 
1 1 1    9   28    3 o   33.811   4.4700   9.1397   2.1981   9.7236   4.3385   8.9381   2.5496   32.061   8.8061   32.957   5.3739 -0.8964005 10.31630 
1 1 1    9   28    4 o   36.408   4.4437   10.605   2.3622   10.703   4.3614   10.564   2.8100   33.610   8.6521   35.756   5.4427 -2.146004 10.22161 
1 1 1    9   28    5 o   30.659   5.4090   7.8502   2.3822   7.8087   4.6924   7.8646   2.7650   27.898   9.4617   30.097   6.3607 -2.199863 11.40096 
1 1 1    9   28    6 o   32.363   6.0191   9.0241   2.7975  -7.8800   8.0211   11.365   2.9849   18.083   8.8534   36.688   5.6371 -18.60476 10.49574 
1 1 1    9   28    7 o   32.843   5.9543   9.3790   2.8083   23.255   6.6168   6.3302   3.1015   47.194   9.7270   25.721   7.5759 21.47302 12.32919 
1 1 1    9   28    8 o   17.147   7.2711   1.6670   3.2255  -0.0598   4.3908   3.6911   4.7539   16.950   7.7524   20.921   8.8467 -3.970873 11.76285 
1 1 1    9   29    0 o   63.998   4.0219   31.473   3.8029   31.473   3.8029   31.473   3.8029   63.998   4.0219   63.998   4.0219 0.000000 0.000000 
1 1 1    9   29    1 o   25.309   7.0715   5.8393   2.7715   7.9104   6.9183   5.4434   3.0248   27.065   10.984   24.230   7.5552 2.834776 13.33117 
1 1 1    9   29    2 o   14.009   6.0203   0.4295   2.2646   0.3204   3.5348   0.5055   2.9493   16.463   7.2865   15.592   6.7852 0.8715973 9.956518 
1 1 1    9   29    3 o   18.825   6.0699   3.0483   1.9381   1.4055   3.6822   3.6778   2.2795   17.841   7.6722   20.395   6.5834 -2.553423 10.10960 
1 1 1    9   29    4 o   43.499   3.8414   15.057   2.4658   19.228   4.7832   13.547   2.8776   45.863   7.2348   40.497   4.8631 5.366512 8.717367 
1 1 1    9   29    5 o   32.934   5.5840   9.3567   2.6440   12.584   4.6921   7.8548   3.2005   34.665   8.9991   28.597   7.4366 6.068102 11.67420 
1 1 1    9   29    6 o   19.360   6.9951   3.4061   2.5903  -0.8002   5.7148   4.4937   2.9059   17.889   8.4048   21.532   7.4418 -3.642958 11.22592 
1 1 1    9   30    0 o   66.783   4.0962   34.486   4.0435   34.486   4.0435   34.486   4.0435   66.783   4.0962   66.783   4.0962 0.000000 0.000000 
1 1 1    9   30    1 o   25.063   7.1499   6.0784   2.8029 -10.0897   7.0864   9.0769   3.0518   15.502   7.7200   31.229   6.7511 -15.72695 10.25557 
1 1 1    9   30    2 o   26.478   6.2678   6.4345   2.4360   9.8794   3.6916   3.7776   3.2420   31.305   7.9070   20.144   7.7162 11.16116 11.04811 
1 1 1    9   30    3 o   35.223   4.0754   10.147   2.1008   10.301   4.0309   10.090   2.4615   31.117   8.4640   34.448   4.9333 -3.331600 9.796732 
1 1 1   10    1    0 o   13.051   7.9660   1.0828   2.9339   1.0828   2.9339   1.0828   2.9339   13.051   7.9660   13.051   7.9660 0.000000 0.000000 
1 1 1   10    1    1 o   88.353   2.0408   58.206   2.6884   56.003   4.0600   59.926   3.5877   86.653   3.1425   89.642   2.6843 -2.988869 4.132895 
1 1 1   10    1    2 o   55.357   2.7543   22.852   2.2733   23.583   3.7888   22.441   2.8416   56.033   4.5750   54.740   3.5000 1.293365 5.760297 
1 1 1   10    1    3 o  284.769   1.7863  604.610   7.5845  603.782   10.664  605.458   10.790  284.559   2.5134  284.953   2.5396 -0.3939209 3.573080 
1 1 1   10    1    4 o  366.057   2.2412  999.088   12.232  974.812   15.438  1040.03   20.049  361.565   2.8638  373.438   3.6009 -11.87250 4.600810 
1 1 1   10    1    5 o  176.418   1.9392  232.044   5.1008  230.886   6.4468  233.983   8.3409  175.972   2.4571  177.139   3.1581 -1.166718 4.001415 
1 1 1   10    1    6 f  284.173   1.9486  602.073   8.2561  617.759   11.952  587.755   11.418  287.836   2.7849  280.760   2.7277 7.075714 3.898218 
1 1 1   10    1    7 o  368.464   2.1923  1012.25   12.044  1010.72   17.100  1013.76   16.966  368.160   3.1152  368.715   3.0862 -0.5547791 4.385100 
1 1 1   10    1    8 o  467.908   2.3492  1632.44   16.389  1630.07   24.996  1634.22   21.706  467.515   3.5859  468.133   3.1098 -0.6182251 4.746578 
1 1 1   10    1    9 o  415.555   2.6483  1287.71   16.408  1310.13   21.567  1256.91   25.283  419.115   3.4514  410.473   4.1312 8.642151 5.383148 
1 1 1   10    1   10 f  341.838   2.4711  871.424   12.595  849.360   19.480  887.269   16.509  337.399   3.8725  344.891   3.2104 -7.492554 5.030196 
1 1 1   10    1   11 f   97.162   2.6466   70.417   3.8340   76.279   6.0076   66.388   4.9801  101.090   3.9859   94.321   3.5412 6.769218 5.331739 
1 1 1   10    1   12 o  182.429   2.2504  248.238   6.1210  234.355   10.605  255.173   7.4956  177.148   4.0152  184.937   2.7184 -7.788300 4.848873 
1 1 1   10    1   13 o  191.733   2.1331  274.223   6.0980  267.217   9.1964  279.721   8.1464  189.189   3.2602  193.600   2.8222 -4.411133 4.312096 
1 1 1   10    1   14 o  148.110   2.6131  163.723   5.7705  159.285   8.1272  168.235   8.1946  146.001   3.7335  150.053   3.6628 -4.052567 5.230200 
1 1 1   10    1   15 o   98.813   2.9740   72.920   4.3815   72.147   6.8384   73.459   5.7067   98.157   4.6727   99.116   3.8617 -0.9584427 6.061879 
1 1 1   10    1   16 o   80.433   3.6620   48.379   4.3916   49.172   8.5470   48.095   5.1190   80.421   7.2045   80.034   4.3057 0.3867950 8.393089 
1 1 1   10    1   17 o   84.013   3.6083   52.818   4.5198   63.720   7.4109   46.361   5.7032   91.901   5.4327   78.436   4.9014 13.46545 7.316932 
1 1 1   10    1   18 o   64.519   4.0521   31.369   3.8782   27.768   6.0581   33.870   5.0482   60.060   6.8899   66.847   5.1037 -6.786953 8.574245 
1 1 1   10    1   19 o   38.115   7.0514   11.518   3.8597   6.3293   7.0680   13.723   4.6072   30.665   11.472   41.470   7.7359 -10.80472 13.83666 
1 1 1   10    1   20 o   89.650   3.4439   60.657   4.6034   67.320   7.3411   56.339   5.9096   93.540   5.2854   85.861   4.6335 7.678719 7.028836 
1 1 1   10    1   21 o   68.494   4.0877   35.964   4.1554   38.781   6.3015   33.796   5.5275   69.985   6.1001   65.539   5.7138 4.446228 8.358151 
1 1 1   10    2    0 o  271.661   3.0369  550.473   12.297  550.473   12.297  550.473   12.297  271.661   3.0369  271.661   3.0369 0.000000 0.000000 
1 1 1   10    2    1 o  289.604   2.1474  625.358   9.2724  611.559   13.084  639.283   13.143  286.363   3.0643  292.784   3.0108 -6.420898 4.295915 
1 1 1   10    2    2 o  284.475   1.9569  603.374   8.3000  610.078   13.036  598.804   10.763  286.023   3.0570  283.382   2.5475 2.640686 3.979278 
1 1 1   10    2    3 o  281.114   1.9558  589.195   8.1975  597.829   10.678  576.803   12.792  283.155   2.5293  278.117   3.0849 5.037598 3.989220 
1 1 1   10    2    4 o  386.465   2.2961  1113.60   13.230  1094.82   20.390  1127.25   17.387  383.152   3.5693  388.807   2.9993 -5.654785 4.662145 
1 1 1   10    2    5 o  235.789   1.7984  414.500   6.3224  418.330   8.9753  410.727   8.9076  236.865   2.5414  234.703   2.5455 2.162415 3.596998 
1 1 1   10    2    6 f  247.337   1.8929  456.099   6.9804  455.298   9.9200  456.885   9.8242  247.107   2.6925  247.538   2.6619 -0.4309387 3.786162 
1 1 1   10    2    7 o  368.223   2.1827  1010.94   11.983  1021.20   17.270  1001.41   16.642  370.059   3.1300  366.458   3.0459 3.601166 4.367401 
1 1 1   10    2    8 o  402.052   2.1736  1205.24   13.030  1226.91   20.279  1190.01   17.004  405.606   3.3533  399.480   2.8549 6.125671 4.403985 
1 1 1   10    2    9 o  197.598   2.1575  291.134   6.3563  299.384   9.0912  283.244   8.8904  200.357   3.0433  194.881   3.0597 5.475937 4.315519 
1 1 1   10    2   10 o  363.151   2.8298  983.626   15.322  974.723   21.479  992.850   21.863  361.416   3.9859  364.758   4.0201 -3.342102 5.661192 
1 1 1   10    2   11 o   78.466   3.5561   45.949   4.1603   56.537   6.8033   39.624   5.2580   86.822   5.2807   72.668   4.8813 14.15377 7.191140 
1 1 1   10    2   12 o  128.556   2.5446  123.297   4.8773  133.355   9.0668  119.202   5.7857  133.586   4.5522  126.381   3.0704 7.205063 5.490906 
1 1 1   10    2   13 o  188.975   2.1470  266.402   6.0494  270.622   9.3895  263.408   7.9099  190.378   3.3079  187.864   2.8239 2.514008 4.349360 
1 1 1   10    2   14 o  156.519   2.5257  182.838   5.8941  186.215   8.4813  179.683   8.1970  157.865   3.6034  155.077   3.5452 2.787811 5.054949 
1 1 1   10    2   15 o  119.270   2.9162  106.240   5.1859  113.908   9.3543  102.838   6.2311  123.272   5.0895  117.293   3.5630 5.979675 6.212764 
1 1 1   10    2   16 o  126.666   2.9817  119.866   5.6311  118.203   9.9305  120.653   6.8364  125.494   5.3074  127.019   3.6099 -1.524635 6.418669 
1 1 1   10    2   17 o  170.781   2.5787  217.878   6.5661  225.930   10.272  212.314   8.5384  173.664   3.9670  168.458   3.3995 5.205933 5.224365 
1 1 1   10    2   18 o   39.191   6.7041   11.993   3.7766   8.7050   6.4434   13.713   4.6612   33.698   11.081   41.691   7.7849 -7.992561 13.54206 
1 1 1   10    2   19 o   23.616   7.8656   4.1735   3.2429   5.8638   5.1975   3.0961   4.1497   28.264   9.9420   22.932   8.7428 5.331808 13.23934 
1 1 1   10    2   20 o   52.739   4.6612   21.385   3.6275   24.468   5.6462   19.218   4.7337   55.452   6.9841   49.223   6.6178 6.229088 9.621504 
1 1 1   10    2   21 o   46.561   5.5342   17.143   3.7666   6.0080   6.3503   23.187   4.6785   28.104   10.791   54.033   5.9033 -25.92935 12.30039 
1 1 1   10    3    0 o  538.563   4.5191  2163.47   36.282  2163.47   36.282  2163.47   36.282  538.563   4.5191  538.563   4.5191 0.000000 0.000000 
1 1 1   10    3    1 o  148.798   2.0676  165.082   4.5871  164.624   5.8879  165.788   7.3167  148.585   2.6577  149.100   3.2913 -0.5146790 4.230406 
1 1 1   10    3    2 o  396.486   2.5928  1172.17   15.328  1201.56   22.084  1144.84   21.291  401.383   3.6901  391.797   3.6447 9.585907 5.186636 
1 1 1   10    3    3 o  278.882   2.4777  579.910   10.302  579.485   18.341  580.106   12.453  278.725   4.4134  278.918   2.9944 -0.1923218 5.333375 
1 1 1   10    3    4 o  223.310   1.7343  371.785   5.7744  369.293   8.1251  374.328   8.2082  222.551   2.4486  224.063   2.4570 -1.511902 3.468823 
1 1 1   10    3    5 o  643.791   3.0500  3090.58   29.276  3122.76   41.902  3059.89   40.922  647.050   4.3434  640.508   4.2851 6.541931 6.101354 
1 1 1   10    3    6 o  538.999   2.6916  2166.23   21.630  2206.90   38.213  2147.06   26.239  543.921   4.7120  536.582   3.2797 7.338989 5.741007 
1 1 1   10    3    7 o   86.748   2.6810   56.112   3.4676   59.473   5.1677   53.359   4.6768   89.297   3.8814   84.584   3.7084 4.713104 5.368222 
1 1 1   10    3    8 o  167.238   2.1660  208.539   5.4008  215.777   9.8563  205.433   6.4564  170.083   3.8867  165.982   2.6089 4.101425 4.681139 
1 1 1   10    3    9 o  294.906   2.0084  648.478   8.8311  655.940   13.598  643.035   11.614  296.557   3.0753  293.644   2.6526 2.913788 4.061302 
1 1 1   10    3   10 o  283.248   2.6637  598.394   11.249  586.035   15.644  611.626   16.187  280.241   3.7441  286.290   3.7922 -6.049805 5.329051 
1 1 1   10    3   11 o  159.866   2.2355  190.617   5.3284  190.693   7.6434  190.545   7.4321  159.857   3.2069  159.800   3.1194 0.5773926E-01 4.473750 
1 1 1   10    3   12 o   16.702   7.5300  -2.0645   3.9640   3.9036   5.8133  -7.2513   5.4194   27.167   10.350   16.510   7.8808 10.65671 13.00884 
1 1 1   10    3   13 o  235.986   2.1127  415.443   7.4337  425.226   11.579  408.584   9.6956  238.636   3.2543  233.971   2.7794 4.664734 4.279641 
1 1 1   10    3   14 o  258.344   2.3749  498.081   9.1477  497.447   12.956  498.711   12.918  258.041   3.3675  258.371   3.3533 -0.3300476 4.752359 
1 1 1   10    3   15 o  153.625   2.6413  176.212   6.0498  180.540   10.569  174.102   7.3782  155.262   4.5655  152.643   3.2419 2.619400 5.599491 
1 1 1   10    3   16 o   50.642   5.7825   19.525   4.2879   29.519   7.6183   14.891   5.1877   61.819   8.4895   43.627   8.2781 18.19246 11.85743 
1 1 1   10    3   17 o  122.801   2.9922  112.756   5.4785  113.313   8.2936  112.324   7.2973  122.868   4.5272  122.422   3.9979 0.4459686 6.039778 
1 1 1   10    3   18 o   64.008   4.2133   30.943   3.9984   38.546   6.8098   26.943   4.9396   70.880   6.5168   59.392   5.6460 11.48768 8.622400 
1 1 1   10    3   19 f   48.998   4.6342   18.358   3.3453   8.9554   5.7351   23.207   4.1185   33.140   10.415   55.010   5.0787 -21.87000 11.58699 
1 1 1   10    3   20 o   61.432   4.1752   28.837   3.8016   30.798   7.6055   28.184   4.3892   61.244   8.5633   60.449   4.9125 0.7950401 9.872316 
1 1 1   10    3   21 o   21.694   8.0267   3.3719   3.4413   4.7508   6.5683   2.8501   4.0403   26.695   10.748   21.639   8.5220 5.056488 13.71651 
1 1 1   10    4    0 o  275.747   3.0399  567.125   12.495  567.125   12.495  567.125   12.495  275.747   3.0399  275.747   3.0399 0.000000 0.000000 
1 1 1   10    4    1 o  356.308   2.8696  946.670   15.245  942.799   18.035  956.357   28.531  355.560   3.4020  358.016   5.3449 -2.455627 6.335701 
1 1 1   10    4    2 o  393.108   2.5599  1152.26   15.004  1130.09   27.772  1161.40   17.830  389.214   4.7857  394.649   3.0303 -5.434875 5.664366 
1 1 1   10    4    3 o  157.402   1.7981  184.715   4.2199  187.966   6.3727  182.176   5.6315  158.772   2.6920  156.311   2.4164 2.461472 3.617443 
1 1 1   10    4    4 o  354.856   2.0483  938.848   10.837  925.269   15.135  953.136   15.524  352.261   2.8816  357.525   2.9123 -5.264343 4.096985 
1 1 1   10    4    5 o  213.839   1.9725  340.927   6.2887  340.132   9.9790  341.451   8.0995  213.572   3.1338  213.996   2.5385 -0.4237823 4.032982 
1 1 1   10    4    6 o  526.690   2.4592  2068.38   19.312  2117.36   30.286  2034.82   25.070  532.822   3.8124  522.366   3.2189 10.45569 4.989524 
1 1 1   10    4    7 o  173.355   1.8889  224.062   4.8821  240.008   7.7480  213.561   6.2873  179.404   2.8966  169.237   2.4917 10.16679 3.820855 
1 1 1   10    4    8 o  279.485   2.3005  582.445   9.5864  603.898   15.895  570.181   12.018  284.533   3.7469  276.508   2.9151 8.024506 4.747297 
1 1 1   10    4    9 o  217.073   1.9406  351.353   6.2807  362.013   9.7852  343.884   8.1906  220.309   2.9790  214.736   2.5582 5.572891 3.926695 
1 1 1   10    4   10 o   62.006   3.7750   28.800   3.4734   34.566   5.0835   23.752   4.7569   67.837   5.0625   56.078   5.7718 11.75886 7.677393 
1 1 1   10    4   11 o  193.891   2.1822  280.397   6.3083  274.265   9.0081  286.298   8.8370  191.706   3.1516  195.874   3.0259 -4.168549 4.369040 
1 1 1   10    4   12 o   20.202   7.9327   1.7768   3.4912   6.8515   4.8373  -3.7404   5.0438   30.329   9.5694   17.930   8.2405 12.39910 12.62853 
1 1 1   10    4   13 o  106.946   2.8344   85.377   4.5196   81.928   6.4647   88.675   6.3211  104.685   4.1418  108.928   3.8921 -4.243134 5.683603 
1 1 1   10    4   14 o  248.438   2.3715  460.643   8.7844  469.595   12.589  452.148   12.264  250.697   3.3680  246.000   3.3436 4.697266 4.745825 
1 1 1   10    4   15 o  130.284   2.6044  126.738   5.0591  127.685   7.7770  126.044   6.6611  130.632   3.9930  129.851   3.4406 0.7807159 5.270802 
1 1 1   10    4   16 o  214.529   2.8090  343.823   8.9848  351.008   14.471  339.315   11.462  216.404   4.4849  212.971   3.6096 3.432938 5.757031 
1 1 1   10    4   17 o  182.182   2.7280  248.099   7.4101  249.507   10.612  246.759   10.352  182.440   3.9012  181.452   3.8264 0.9883881 5.464530 
1 1 1   10    4   18 o   21.362   7.9238   2.8048   3.3578   1.4420   6.4789   3.3053   3.9263   24.869   10.412   23.074   8.5665 1.795076 13.48278 
1 1 1   10    4   19 o   40.651   5.9208   12.936   3.4831   16.627   6.8944   11.670   4.0361   44.310   10.582   38.097   7.3720 6.212517 12.89643 
1 1 1   10    4   20 o   14.261   6.6246  -2.5882   3.3890  -5.4182   6.2163  -1.3914   4.0426   18.450   8.6986   16.944   7.6249 1.506496 11.56737 
1 1 1   10    5    1 o  375.934   3.7914  1054.01   21.251   0.0000   0.0000  1054.01   21.251  ?   ?   375.934   3.7914 0.000000 3.791366 
1 1 1   10    5    2 o  480.186   2.9315  1719.35   20.988  1755.22   40.900  1706.53   24.453  485.007   5.6559  478.371   3.4284 6.635986 6.613864 
1 1 1   10    5    3 o  207.059   1.6726  319.640   5.1637  335.258   9.1439  312.327   6.2569  212.040   2.8923  204.672   2.0504 7.368042 3.545329 
1 1 1   10    5    4 o  401.572   2.0278  1202.31   12.141  1195.15   18.559  1207.67   16.053  400.343   3.1092  402.448   2.6753 -2.105469 4.101719 
1 1 1   10    5    5 o  318.156   2.0087  754.695   9.5285  772.102   13.801  738.840   13.172  321.784   2.8765  314.778   2.8065 7.005615 4.018846 
1 1 1   10    5    6 o  202.250   1.8870  304.977   5.6902  322.766   8.5366  290.753   7.6333  208.051   2.7520  197.467   2.5927 10.58415 3.780927 
1 1 1   10    5    7 o  168.785   2.0771  212.413   5.2272  217.811   7.4838  207.271   7.3041  170.903   2.9370  166.716   2.9384 4.186340 4.154568 
1 1 1   10    5    8 o  163.584   2.1641  199.537   5.2783  222.467   9.8751  190.366   6.2453  172.685   3.8355  159.772   2.6217 12.91304 4.645869 
1 1 1   10    5    9 o  269.826   1.9650  542.900   7.9054  539.449   12.200  545.398   10.379  268.920   3.0427  270.422   2.5743 -1.502106 3.985610 
1 1 1   10    5   10 o  183.824   2.3566  252.036   6.4588  253.750   10.311  250.929   8.2857  184.378   3.7508  183.390   3.0303 0.9876556 4.821965 
1 1 1   10    5   11 o  382.724   2.2365  1092.62   12.762  1102.50   19.715  1085.49   16.744  384.295   3.4408  381.392   2.9445 2.903809 4.528688 
1 1 1   10    5   12 o  176.963   2.2735  233.634   5.9986  237.806   8.7291  229.900   8.2572  178.463   3.2806  175.482   3.1559 2.981201 4.552152 
1 1 1   10    5   13 o  128.663   2.5483  123.551   4.8885  109.280   6.9965  137.163   6.8330  120.912   3.8810  135.505   3.3821 -14.59370 5.147889 
1 1 1   10    5   14 o   98.642   3.7399   72.754   5.5003   72.065   7.7330   73.460   7.8252   97.883   5.3186   98.827   5.3304 -0.9441376 7.530004 
1 1 1   10    5   15 o  132.091   2.6325  130.292   5.1846  133.132   8.0217  128.255   6.7944  133.372   4.0339  130.972   3.4794 2.399536 5.327171 
1 1 1   10    5   16 o  171.824   2.9141  220.637   7.4655  233.629   12.170  212.798   9.4530  176.482   4.6251  168.607   3.7603 7.874817 5.960842 
1 1 1   10    5   17 o   67.859   4.5310   34.763   4.5579   42.522   8.7810   31.901   5.3326   74.154   8.0726   64.780   5.5754 9.373444 9.810811 
1 1 1   10    5   18 o   81.178   3.8173   49.570   4.6203   48.535   11.527   49.768   5.0431   77.696   10.196   81.164   4.1816 -3.467812 11.02043 
1 1 1   10    5   19 o   13.616   6.3436  -2.6690   3.1437  -9.1252   6.6142  -0.7850   3.5730   17.486   8.4395   16.604   7.3384 0.8824749 11.18378 
1 1 1   10    5   20 o   17.620   7.4004   0.7641   3.2901   13.426   7.0217  -2.7980   3.7243   38.426   11.420   14.902   6.9298 23.52472 13.35795 
1 1 1   10    6    0 o  111.040   6.8843   93.032   11.297   93.032   11.297   93.032   11.297  111.040   6.8843  111.040   6.8843 0.000000 0.000000 
1 1 1   10    6    1 o  171.583   2.1742  219.507   5.5622  241.408   14.133  215.492   6.0505  179.880   5.2696  170.005   2.3870 9.875534 5.785059 
1 1 1   10    6    2 o  653.085   3.7288  3180.92   36.309  3195.24   75.346  3176.59   41.437  654.123   7.7255  652.601   4.2587 1.522400 8.821557 
1 1 1   10    6    3 o  608.359   2.8892  2759.73   26.206  2805.17   46.044  2737.95   31.872  613.196   5.0362  605.918   3.5280 7.278320 6.148979 
1 1 1   10    6    4 o  199.994   1.7608  298.206   5.2505  285.248   8.9584  304.986   6.4803  195.582   3.0721  202.250   2.1490 -6.668076 3.749086 
1 1 1   10    6    5 o  287.309   2.1432  615.466   9.1810  616.255   14.439  614.930   11.895  287.462   3.3689  287.169   2.7782 0.2923584 4.366681 
1 1 1   10    6    6 o  240.281   2.1427  430.479   7.6763  435.314   9.9640  423.420   12.040  241.613   2.7659  238.273   3.3891 3.340164 4.374544 
1 1 1   10    6    7 o  397.208   2.2991  1176.46   13.616  1170.30   19.293  1182.57   19.219  396.119   3.2667  398.192   3.2371 -2.073090 4.598979 
1 1 1   10    6    8 o  373.215   2.2936  1038.70   12.763  1052.80   22.822  1032.29   15.396  375.615   4.0752  372.034   2.7755 3.580902 4.930584 
1 1 1   10    6    9 o  431.508   2.4541  1388.74   15.789  1413.55   27.776  1376.90   19.191  435.138   4.2813  429.615   2.9960 5.523010 5.225492 
1 1 1   10    6   10 o  141.915   2.3126  150.223   4.8933  148.878   6.9407  151.551   6.8997  141.238   3.2960  142.503   3.2474 -1.264343 4.626983 
1 1 1   10    6   11 o  227.065   2.0244  384.569   6.8536  381.183   10.606  386.997   8.9801  225.977   3.1480  227.737   2.6447 -1.760590 4.111505 
1 1 1   10    6   12 o   67.469   3.5209   34.094   3.5295   36.787   5.1437   31.698   4.8520   69.935   4.9653   64.881   5.0556 5.053764 7.086126 
1 1 1   10    6   13 o   77.993   3.1811   45.435   3.6992   41.089   5.6195   48.759   4.9140   73.878   5.1336   80.639   4.1007 -6.761559 6.570317 
1 1 1   10    6   14 o   59.150   4.6504   26.370   4.0682   43.991   9.0337   21.887   4.5564   75.840   8.1150   53.677   5.7846 22.16272 9.965727 
1 1 1   10    6   15 o  127.033   2.8787  120.558   5.4523  119.537   9.9071  121.001   6.5301  126.181   5.2660  127.208   3.4430 -1.027214 6.291686 
1 1 1   10    6   16 o  169.603   3.0092  215.059   7.6096  237.814   12.617  202.047   9.5403  177.969   4.7547  164.233   3.8961 13.73549 6.147111 
1 1 1   10    6   17 o   86.372   3.8894   55.995   5.0088   63.711   8.9088   52.429   6.0567   91.331   6.5866   83.272   4.8999 8.059059 8.209236 
1 1 1   10    6   18 o  164.990   2.9508  204.181   7.2588   0.0000   0.0000  204.181   7.2588  ?   ?   164.990   2.9508 0.000000 2.950758 
1 1 1   10    6   19 o   16.264   7.1027  -0.3573   3.2570   7.1929   7.2727  -2.2514   3.6427   31.048   11.633   15.287   7.0174 15.76056 13.58546 
1 1 1   10    6   20 o   24.138   8.1557   4.6421   3.4863   3.4618   6.8366   5.0569   4.0528   25.910   10.758   25.242   8.7848 0.6681881 13.88912 
1 1 1   10    7    0 o   46.224   15.980   20.799   9.9260   20.799   9.9260   20.799   9.9260   46.224   15.980   46.224   15.980 0.000000 0.000000 
1 1 1   10    7    1 o  429.432   3.2499  1375.20   20.808  1410.50   38.995  1361.15   24.604  434.742   6.0160  427.204   3.8628 7.538269 7.149365 
1 1 1   10    7    2 o  247.675   1.9459  457.357   7.1857  472.064   19.226  454.969   7.7472  251.540   5.1264  247.025   2.1034 4.514832 5.541165 
1 1 1   10    7    3 o  197.856   1.7880  291.863   5.2745  287.987   8.4864  294.303   6.7329  196.523   2.8963  198.676   2.2729 -2.152908 3.681687 
1 1 1   10    7    4 o  543.563   2.9572  2203.26   23.966  2213.79   55.294  2200.83   26.594  544.520   6.8108  543.244   3.2834 1.275513 7.560893 
1 1 1   10    7    5 o  177.490   1.9472  234.880   5.1531  242.626   7.3570  227.421   7.2200  180.380   2.7355  174.636   2.7729 5.744141 3.895122 
1 1 1   10    7    6 o  173.565   2.5550  224.638   6.6119  230.237   9.7961  219.952   8.9609  175.687   3.7397  171.724   3.4999 3.962646 5.121987 
1 1 1   10    7    7 o  334.464   1.9958  834.128   9.9528  850.358   15.444  822.598   13.016  337.654   3.0676  332.119   2.6286 5.535004 4.039811 
1 1 1   10    7    8 f  399.151   2.1734  1188.11   12.934  1196.82   20.023  1181.88   16.944  400.521   3.3530  398.056   2.8550 2.465210 4.403811 
1 1 1   10    7    9 o  146.704   2.3406  160.525   5.1196  150.116   10.597  163.694   5.8472  141.742   5.0144  148.135   2.6474 -6.393448 5.670402 
1 1 1   10    7   10 o  159.643   2.0510  190.089   4.8819  188.052   7.4950  191.589   6.4340  158.731   3.1669  160.243   2.6930 -1.512131 4.157110 
1 1 1   10    7   11 o  334.442   2.1274  834.388   10.608  834.599   16.429  834.238   13.893  334.329   3.2957  334.333   2.7870 -0.3143311E-02 4.316177 
1 1 1   10    7   12 o   49.060   4.2487   18.134   3.0771   16.047   4.7470   19.646   4.0411   45.645   7.2150   50.923   5.4051 -5.278000 9.015057 
1 1 1   10    7   13 o   95.666   3.0493   68.360   4.3493   68.673   7.8526   68.222   5.2238   95.514   5.5379   95.528   3.6677 -0.1411438E-01 6.642282 
1 1 1   10    7   14 o   54.085   5.3489   22.168   4.2567   33.629   10.458   19.892   4.6602   65.358   11.131   51.044   6.2543 14.31413 12.76778 
1 1 1   10    7   15 o   88.853   3.4687   59.050   4.5952   73.779   8.6891   53.331   5.4143   98.834   5.9239   84.255   4.3246 14.57961 7.334458 
1 1 1   10    7   16 o   17.924   7.9604  -1.4097   4.2542   12.092   9.8240  -4.5259   4.7197   40.082   13.690   16.469   7.7056 23.61282 15.70954 
1 1 1   10    7   17 o   21.826   8.9896   1.3844   4.7204   0.2818   11.881   1.5910   5.1438   31.402   13.642   22.836   9.3922 8.566257 16.56248 
1 1 1   10    7   18 o   24.715   8.3207   4.5926   3.6287  -2.2960   7.2680   6.8800   4.1880   22.739   10.229   29.243   8.8489 -6.503845 13.52540 
1 1 1   10    7   19 o   17.222   7.5512  -0.4223   3.7139  -7.2520   6.4144   3.0220   4.5551   17.873   8.5430   23.003   9.0520 -5.130213 12.44677 
1 1 1   10    7   20 f   40.306   6.1103   13.100   3.5568   21.562   6.4727   9.4389   4.2572   49.982   9.0174   32.993   8.5754 16.98876 12.44390 
1 1 1   10    8    0 o  326.453   4.0302  795.032   19.610  795.032   19.610  795.032   19.610  326.453   4.0302  326.453   4.0302 0.000000 0.000000 
1 1 1   10    8    1 o  154.327   3.5938  177.620   8.2694  198.608   14.926  168.324   9.9333  163.130   6.1366  150.219   4.4350 12.91080 7.571466 
1 1 1   10    8    2 o  214.803   3.0900  344.071   9.8963  356.315   17.064  337.867   12.148  218.531   5.2373  212.840   3.8280 5.690292 6.487137 
1 1 1   10    8    3 o   18.435   6.4195   2.2540   2.1644  -6.0036   8.9360   2.7686   2.2308   24.290   11.090   19.755   6.5210 4.534857 12.86531 
1 1 1   10    8    4 o  765.031   3.8710  4365.58   44.155  4340.08   99.449  4371.84   49.278  761.913   8.7544  765.526   4.3174 -3.613281 9.761102 
1 1 1   10    8    5 o  493.944   3.1564  1819.62   23.245  1884.58   34.647  1766.44   31.348  502.562   4.6238  486.583   4.3210 15.97928 6.328563 
1 1 1   10    8    6 o  135.204   2.5423  136.320   5.1250  128.606   8.1721  141.321   6.5797  131.285   4.1749  137.648   3.2060 -6.362366 5.263875 
1 1 1   10    8    7 o  238.676   2.0420  424.790   7.2667  428.550   13.264  423.178   8.6862  239.655   3.7122  238.208   2.4457 1.446884 4.445444 
1 1 1   10    8    8 o  138.740   2.2480  143.559   4.6502  144.099   8.9578  143.360   5.4407  138.922   4.3247  138.633   2.6322 0.2888489 5.062763 
1 1 1   10    8    9 o   91.031   2.8099   61.828   3.8137   59.503   7.2637   62.712   4.4810   89.028   5.4991   91.665   3.2787 -2.637505 6.402354 
1 1 1   10    8   10 o  122.668   2.6722  112.285   4.8873  110.795   11.462  112.616   5.4031  121.416   6.3535  122.836   2.9502 -1.419525 7.004991 
1 1 1   10    8   11 o  110.914   3.5241   91.894   5.8278   92.231   11.106   91.766   6.8461  110.616   6.7664  110.794   4.1443 -0.1775436 7.934686 
1 1 1   10    8   12 o   50.681   4.7477   19.398   3.5457   23.700   6.7182   17.737   4.1745   55.409   8.3951   48.260   5.9261 7.149082 10.27605 
1 1 1   10    8   13 o   61.096   4.3139   28.083   3.9044   27.082   7.0588   28.524   4.6866   59.283   8.2060   61.456   5.1625 -2.173122 9.694872 
1 1 1   10    8   14 o   96.771   3.5394   70.039   5.1068   68.332   8.5569   70.984   6.3646   95.099   6.0665   97.338   4.3855 -2.238419 7.485677 
1 1 1   10    8   15 o   56.605   5.1160   24.266   4.2711   27.549   8.0794   22.993   5.0316   59.322   9.4518   54.870   6.2625 4.452099 11.33827 
1 1 1   10    8   16 o   72.160   4.3957   39.262   4.7067   38.081   8.3572   39.810   5.6960   70.106   8.1472   72.478   5.3079 -2.371597 9.723711 
1 1 1   10    8   17 o  103.903   3.7237   81.147   5.7686   83.615   9.3017   79.605   7.3535  104.633   5.9873  102.631   4.8055 2.002106 7.677270 
1 1 1   10    8   18 o  103.460   3.2900   80.600   5.0750   73.846   8.8327   83.928   6.2007   97.684   6.0950  105.344   3.9479 -7.659981 7.261860 
1 1 1   10    8   19 o   64.575   4.4305   32.038   4.2398   42.619   7.8197   27.632   5.0459   72.777   7.3051   59.331   5.7774 13.44536 9.313608 
1 1 1   10    8   20 o   53.355   4.5005   22.165   3.5468   18.308   7.0135   23.490   4.1112   44.291   10.733   54.609   5.1087 -10.31822 11.88680 
1 1 1   10    9    0 o  224.630   4.1792  376.660   13.986  376.660   13.986  376.660   13.986  224.630   4.1792  224.630   4.1792 0.000000 0.000000 
1 1 1   10    9    1 o  396.772   4.2627  1174.39   25.217   0.0000   0.0000  1174.39   25.217  ?   ?   396.772   4.2627 0.000000 4.262732 
1 1 1   10    9    2 o  700.469   4.0230  3660.02   42.016   0.0000   0.0000  3660.02   42.016  ?   ?   700.469   4.0230 0.000000 4.023048 
1 1 1   10    9    3 o   85.046   2.5372   53.934   3.2173   0.0000   0.0000   53.934   3.2173  ?   ?    85.046   2.5372 0.000000 2.537249 
1 1 1   10    9    4 o  231.939   2.4724  401.148   8.5500  386.886   18.025  405.289   9.7121  227.666   5.3101  233.124   2.7942 -5.458099 6.000406 
1 1 1   10    9    5 o  367.038   2.7278  1004.69   14.928  985.979   30.052  1010.82   17.200  363.382   5.5468  368.133   3.1337 -4.750946 6.370768 
1 1 1   10    9    6 o  192.857   2.3046  277.368   6.6267  274.321   10.703  279.262   8.4390  191.742   3.7437  193.494   2.9252 -1.752457 4.750996 
1 1 1   10    9    7 o  310.223   2.3207  717.751   10.734  700.600   17.474  728.146   13.604  306.382   3.8253  312.422   2.9204 -6.040497 4.812644 
1 1 1   10    9    8 o  166.467   2.8590  206.755   7.0960   0.0000   0.0000  206.755   7.0960  ?   ?   166.467   2.8590 0.000000 2.858993 
1 1 1   10    9    9 o   76.695   3.1435   43.905   3.5946   40.668   6.8770   45.122   4.2165   73.403   6.3461   77.734   3.6381 -4.330826 7.314980 
1 1 1   10    9   10 o   81.052   3.4236   49.062   4.1372   53.692   7.0710   46.652   5.1016   84.474   5.6467   78.873   4.3551 5.600708 7.131071 
1 1 1   10    9   11 o  196.142   2.4154  287.103   7.0637  300.283   11.881  279.898   8.7849  200.412   3.9761  193.605   3.0433 6.807678 5.007153 
1 1 1   10    9   12 o   49.632   4.8129   18.626   3.5167   7.8711   6.5582   22.966   4.1664   33.099   11.186   55.115   5.1291 -22.01596 12.30577 
1 1 1   10    9   13 o  142.253   2.7954  151.150   5.9289  153.700   14.501  150.638   6.4968  142.767   6.8122  141.984   3.0690 0.7834015 7.471618 
1 1 1   10    9   14 o  108.184   3.0714   87.478   4.9541   85.289   9.3419   88.335   5.8435  106.287   5.9185  108.659   3.6069 -2.371994 6.930999 
1 1 1   10    9   15 o   60.349   5.4059   27.631   4.8126   16.792   7.8033   34.285   6.1139   45.594   11.485   67.112   6.1795 -21.51811 13.04176 
1 1 1   10    9   16 o  133.288   2.9166  132.966   5.7962  133.466   10.826  132.765   6.8628  132.882   5.4640  133.081   3.4587 -0.1983795 6.466693 
1 1 1   10    9   17 o  106.024   3.6151   84.572   5.7147   75.865   9.4735   89.552   7.1652   99.252   6.4365  108.858   4.4147 -9.605911 7.805019 
1 1 1   10    9   18 o   19.588   8.0474   1.3693   3.7709   6.2842   6.7289  -0.8809   4.5529   29.582   11.168   18.650   8.2614 10.93186 13.89117 
1 1 1   10    9   19 o   68.116   3.9097   35.492   3.9540   46.587   7.4442   31.131   4.6667   76.357   6.6038   63.274   4.9871 13.08314 8.275309 
1 1 1   10   10    0 o  184.936   4.5049  255.520   12.405  255.520   12.405  255.520   12.405  184.936   4.5049  184.936   4.5049 0.000000 0.000000 
1 1 1   10   10    1 o  195.058   3.0374  283.754   8.8335  279.801   12.427  287.791   12.559  193.655   4.3038  196.401   4.2890 -2.746033 6.076047 
1 1 1   10   10    2 o  225.220   2.3958  378.241   8.0451  366.751   17.782  381.198   9.0212  221.656   5.3806  226.092   2.6761 -4.435242 6.009368 
1 1 1   10   10    3 o  412.477   3.0608  1268.94   18.824  1265.02   36.389  1270.37   21.995  411.575   5.9300  412.674   3.5748 -1.099457 6.924148 
1 1 1   10   10    4 o  168.893   2.0986  212.703   5.2845  239.827   14.354  208.451   5.6837  179.215   5.3719  167.193   2.2800 12.02264 5.835781 
1 1 1   10   10    5 o  262.600   2.8292  514.349   11.077  535.631   20.893  506.027   13.064  267.808   5.2326  260.439   3.3644 7.368866 6.220859 
1 1 1   10   10    6 o  279.074   2.0871  580.806   8.6841  565.978   15.712  587.329   10.420  275.376   3.8267  280.616   2.4906 -5.240173 4.565842 
1 1 1   10   10    7 o  361.545   2.2446  974.942   12.100  984.774   21.799  970.564   14.546  363.165   4.0258  360.692   2.7048 2.473145 4.850099 
1 1 1   10   10    8 o   82.180   3.1762   50.409   3.8918   29.802   9.3667   54.709   4.2786   61.989   10.510   85.608   3.3521 -23.61834 11.03151 
1 1 1   10   10    9 o   92.848   2.7981   64.341   3.8735   66.725   7.2643   63.394   4.5787   94.280   5.1878   92.140   3.3329 2.139572 6.166130 
1 1 1   10   10   10 o  215.857   2.3379  347.682   7.5242  348.253   12.361  347.346   9.4836  215.861   3.8406  215.693   2.9490 0.1688080 4.842191 
1 1 1   10   10   11 o  172.196   2.2691  221.278   5.8257  221.479   10.680  221.193   6.9508  172.061   4.1632  172.124   2.7085 -0.6298828E-01 4.966724 
1 1 1   10   10   12 f  144.148   2.4409  155.122   5.2460  167.153   9.8698  150.385   6.1932  149.391   4.4311  141.886   2.9276 7.504837 5.310899 
1 1 1   10   10   13 o  160.117   2.9997  191.585   7.1611  206.304   15.886  187.832   8.0225  165.435   6.4404  158.487   3.3951 6.948395 7.280455 
1 1 1   10   10   14 o  128.690   2.8161  123.759   5.4033  109.979   9.8364  129.713   6.4662  120.916   5.4561  131.692   3.2932 -10.77606 6.372961 
1 1 1   10   10   15 o   91.372   3.4670   62.529   4.7232   71.748   9.1808   59.211   5.5081   97.144   6.3739   88.824   4.1591 8.319588 7.610845 
1 1 1   10   10   16 f   82.712   3.6885   51.382   4.5487   50.872   8.1300   51.614   5.4881   81.333   6.7657   82.639   4.4708 -1.306198 8.109446 
1 1 1   10   10   17 o   17.749   8.0230  -1.9888   4.5344   15.897   10.109  -6.4937   5.0734   42.616   13.873   15.793   7.5620 26.82259 15.80002 
1 1 1   10   10   18 o   34.161   8.0589   9.7265   4.0383   7.2442   6.6410   11.183   5.0868   30.393   11.167   36.159   9.3618 -5.766273 14.57198 
1 1 1   10   10   19 o   27.184   8.2300   6.2856   3.6220   21.539   6.8617   0.3940   4.2645   49.417   9.6591   18.948   8.2021 30.46961 12.67175 
1 1 1   10   11    0 o  118.430   5.4655  105.300   9.6039  105.300   9.6039  105.300   9.6039  118.430   5.4655  118.430   5.4655 0.000000 0.000000 
1 1 1   10   11    1 o  130.515   3.5395  127.076   6.8877  124.611   9.4205  129.906   10.096  129.203   4.8902  131.911   5.1333 -2.707809 7.089808 
1 1 1   10   11    2 o  277.088   2.7788  572.625   11.480  548.071   22.139  581.656   13.427  270.906   5.4811  279.242   3.2249 -8.336578 6.359419 
1 1 1   10   11    3 o  135.179   2.0995  136.264   4.2315  118.174   12.078  138.796   4.5179  125.572   6.4730  136.427   2.2211 -10.85516 6.843472 
1 1 1   10   11    4 o  200.462   2.1954  299.679   6.5619  337.128   16.587  292.731   7.1447  212.448   5.2367  198.118   2.4187 14.32999 5.768312 
1 1 1   10   11    5 o  265.890   2.5061  527.318   9.9352  523.403   20.420  528.533   11.372  264.675   5.1746  266.175   2.8655 -1.499664 5.914986 
1 1 1   10   11    6 o   93.483   2.7186   65.196   3.7892   49.009   9.4690   68.282   4.1346   80.435   8.0019   95.665   2.8988 -15.22959 8.510761 
1 1 1   10   11    7 o  223.351   2.0520  372.079   6.8334  347.704   12.458  382.569   8.1725  215.771   3.8724  226.455   2.4205 -10.68396 4.566651 
1 1 1   10   11    8 o  200.155   2.1031  298.846   6.2761  296.332   11.646  299.876   7.4506  199.154   3.9220  200.473   2.4927 -1.319366 4.647121 
1 1 1   10   11    9 o   44.311   4.7250   14.857   3.0735   13.978   6.2014   15.144   3.5386   42.120   10.020   44.636   5.4290 -2.515926 11.39664 
1 1 1   10   11   10 o   72.928   3.2940   39.733   3.5817   50.887   6.9447   35.691   4.1805   82.164   5.7043   68.960   4.0841 13.20396 7.015647 
1 1 1   10   11   11 o  206.957   2.2094  319.659   6.8175  321.411   12.477  318.913   8.1400  207.254   4.0378  206.666   2.6417 0.5875092 4.825226 
1 1 1   10   11   12 o  141.747   2.4760  150.025   5.2327  158.742   9.8210  146.569   6.1835  145.535   4.5260  140.056   2.9612 5.478043 5.408661 
1 1 1   10   11   13 o  221.285   2.5439  365.729   8.3932  402.488   21.261  358.942   9.1351  231.086   6.1707  219.180   2.7954 11.90570 6.774341 
1 1 1   10   11   14 o  138.004   2.7361  142.342   5.6297  137.772   10.128  144.385   6.7722  135.363   5.0185  138.915   3.2697 -3.551971 5.989718 
1 1 1   10   11   15 o   64.956   5.1287   32.021   4.9267   29.562   8.1412   33.442   6.1885   61.205   9.2064   66.084   6.3593 -4.878822 11.18924 
1 1 1   10   11   16 o  101.506   3.2600   77.349   4.9339   75.489   9.2328   78.092   5.8372   99.168   6.2768  101.855   3.8437 -2.687096 7.360184 
1 1 1   10   11   17 o  108.741   3.8955   89.491   6.3157   98.977   13.613   86.889   7.1295  111.234   8.2672  106.893   4.4734 4.341019 9.399913 
1 1 1   10   11   18 o   74.949   4.3743   43.146   4.8669   52.750   8.4751   38.420   5.9449   81.040   7.0854   69.966   5.7497 11.07435 9.124798 
1 1 1   10   11   19 o   71.893   3.8615   39.760   4.1240   42.040   6.9808   38.538   5.1113   71.877   6.5872   70.107   4.9210 1.769501 8.222410 
1 1 1   10   12    0 o  147.408   4.7762  162.611   10.472  162.611   10.472  162.611   10.472  147.408   4.7762  147.408   4.7762 0.000000 0.000000 
1 1 1   10   12    1 o  170.006   3.1534  215.615   7.9930  214.050   11.260  217.205   11.349  169.328   4.4599  170.571   4.4624 -1.242981 6.308990 
1 1 1   10   12    2 o  116.895   2.4688  101.913   4.3029  101.521   8.8956  102.033   4.9163  116.582   5.1177  116.956   2.8194 -0.3735962 5.842897 
1 1 1   10   12    3 f  215.633   1.9944  346.748   6.4121  351.044   17.176  346.053   6.9118  216.750   5.3149  215.411   2.1521 1.338257 5.734044 
1 1 1   10   12    4 o   89.702   2.5437   60.021   3.4020   53.352   10.246   60.847   3.6066   83.930   8.2967   90.314   2.6784 -6.384293 8.718317 
1 1 1   10   12    5 o  163.643   2.5726  199.775   6.2769  207.674   13.247  197.488   7.1279  166.655   5.3313  162.687   2.9386 3.968597 6.087556 
1 1 1   10   12    6 f  229.506   2.1845  392.902   7.4750  409.024   18.121  389.596   8.2057  233.845   5.1974  228.524   2.4083 5.321198 5.728272 
1 1 1   10   12    7 f   99.276   2.9739   73.567   4.4019   0.0000   0.0000   73.567   4.4019  ?   ?    99.276   2.9739 0.000000 2.973920 
1 1 1   10   12    8 o  111.975   2.4770   93.568   4.1353   84.694   7.9711   96.836   4.8372  106.362   5.0265  113.894   2.8485 -7.532944 5.777528 
1 1 1   10   12    9 o   97.379   2.9306   70.810   4.2550   68.337   7.5875   71.945   5.1392   95.331   5.3600   98.121   3.5129 -2.790382 6.408562 
1 1 1   10   12   10 o  112.265   2.8354   94.124   4.7460   87.674   7.9558   97.688   5.9134  108.154   4.9337  114.319   3.4693 -6.165489 6.031413 
1 1 1   10   12   11 o  114.813   2.6986   98.454   4.6196   99.217   8.5691   98.141   5.4849  114.997   4.9978  114.586   3.2104 0.4108734 5.940099 
1 1 1   10   12   12 o   58.925   4.2481   26.151   3.7072   24.223   6.9361   26.922   4.3862   55.803   8.6139   59.680   4.9747 -3.877102 9.947170 
1 1 1   10   12   13 o   62.206   4.3805   29.165   4.0369   24.079   7.6816   31.106   4.7449   55.275   9.6733   64.150   5.0005 -8.874989 10.88929 
1 1 1   10   12   14 o  208.146   2.7248  323.932   8.4561  307.602   13.799  333.751   10.701  202.293   4.5752  211.105   3.3997 -8.812210 5.700046 
1 1 1   10   12   15 o  107.467   3.2769   86.601   5.2507   99.594   10.091   81.778   6.1486  114.346   5.9395  104.294   3.9541 10.05228 7.135299 
1 1 1   10   12   16 o   54.953   5.4687   23.264   4.4212   18.027   10.606   24.366   4.8640   45.132   14.159   56.105   5.9032 -10.97337 15.34055 
1 1 1   10   12   17 o   26.941   9.2203   5.7246   4.4564   2.3118   8.5502   6.9975   5.2218   27.362   11.727   29.361   9.9810 -1.999636 15.39919 
1 1 1   10   13    0 o  176.246   4.4434  232.190   11.660  232.190   11.660  232.190   11.660  176.246   4.4434  176.246   4.4434 0.000000 0.000000 
1 1 1   10   13    1 o   33.537   10.138   8.5215   5.4992   6.6319   7.5863   10.614   7.9830   32.791   11.952   38.040   12.324 -5.249008 17.16817 
1 1 1   10   13    2 o  315.090   2.3958  740.551   11.255  709.785   18.354  759.092   14.249  308.322   3.9927  318.960   2.9962 -10.63803 4.991835 
1 1 1   10   13    3 o  183.815   2.4553  252.045   6.7292  260.067   14.931  250.000   7.5382  186.493   5.3699  183.052   2.7620 3.440750 6.038569 
1 1 1   10   13    4 o  132.799   2.1442  131.541   4.2455  129.876   11.485  131.805   4.5691  131.726   5.8476  132.926   2.3054 -1.199600 6.285632 
1 1 1   10   13    5 f  218.537   2.4931  356.327   8.1234  340.923   16.542  361.223   9.3253  213.467   5.1974  220.006   2.8429 -6.539261 5.924122 
1 1 1   10   13    6 o  183.346   2.2104  250.787   6.0426  221.906   13.843  257.586   6.7162  172.150   5.3932  185.801   2.4244 -13.65045 5.913113 
1 1 1   10   13    7 o   78.910   3.0682   46.495   3.6098   52.119   9.1804   45.466   3.9260   82.882   7.5105   78.019   3.3751 4.863396 8.234035 
1 1 1   10   13    8 o   98.499   3.0499   72.458   4.4791   64.843   9.9166   74.410   5.0204   92.516   7.2471   99.796   3.3740 -7.280029 7.993995 
1 1 1   10   13    9 o  119.563   2.5192  106.719   4.4908   99.833   8.7709  109.166   5.2280  115.390   5.0981  120.898   2.9003 -5.507736 5.865340 
1 1 1   10   13   10 o   37.396   6.0728   10.785   3.2698   10.817   6.3659   10.774   3.8109   37.151   10.829   37.173   7.1354 -0.2222061E-01 12.96809 
1 1 1   10   13   11 o  112.973   2.9605   95.385   4.9868   94.202   11.641   95.650   5.5187  111.412   7.0443  113.099   3.2727 -1.687553 7.767424 
1 1 1   10   13   12 o  151.250   2.5096  170.877   5.6595  170.612   10.532  170.984   6.7107  150.765   4.6853  151.237   2.9760 -0.4719086 5.550588 
1 1 1   10   13   13 o  191.673   2.7057  274.612   7.7324  270.134   12.662  277.274   9.7645  189.665   4.4777  192.451   3.4030 -2.785385 5.624094 
1 1 1   10   13   14 o   57.849   4.9332   25.412   4.2143   24.911   7.9133   25.610   4.9791   55.813   9.8705   57.864   5.8517 -2.051373 11.47470 
1 1 1   10   13   15 o   69.161   5.2032   36.493   5.3261   47.044   8.4977   29.666   6.8353   77.713   7.4242   61.496   7.6180 16.21749 10.63729 
1 1 1   10   13   16 o   59.822   4.6734   27.411   4.1353   19.309   7.6817   30.717   4.9069   47.286   11.088   63.127   5.2613 -15.84123 12.27288 
1 1 1   10   13   17 o   63.231   4.3394   30.727   4.0663   33.321   7.4212   29.615   4.8609   63.695   7.9903   61.597   5.3458 2.097675 9.613652 
1 1 1   10   13   18 o   74.880   4.2640   43.379   4.7408   36.866   7.5728   47.577   6.0795   66.257   7.8162   77.689   5.2799 -11.43206 9.432405 
1 1 1   10   14    0 o   13.356   9.4452  -9.5875   7.6866  -9.5875   7.6866  -9.5875   7.6866   13.356   9.4452   13.356   9.4452 0.000000 0.000000 
1 1 1   10   14    1 o  147.700   6.2519  163.399   13.768  163.399   13.768   0.0000   0.0000  147.700   6.2519  ?   ?  0.000000 6.251904 
1 1 1   10   14    2 o  224.841   2.6833  377.214   8.9954  340.818   17.095  391.150   10.578  213.428   5.3721  228.922   3.0993 -15.49460 6.201997 
1 1 1   10   14    3 o  106.302   1.9936   84.286   3.1598   79.670   8.3068   85.067   3.4166  103.032   5.4266  106.788   2.1459 -3.756744 5.835433 
1 1 1   10   14    4 o  145.652   2.0962  158.254   4.5521  149.905   12.383  159.558   4.8949  141.444   5.8720  146.244   2.2449 -4.799820 6.286440 
1 1 1   10   14    5 f   27.694   7.7416   5.9369   3.3208   11.765   8.1728   4.7845   3.6344   39.426   12.439   25.610   8.3172 13.81536 14.96300 
1 1 1   10   14    6 o  138.347   2.5407  142.851   5.2406   0.0000   0.0000  142.851   5.2406  ?   ?   138.347   2.5407 0.000000 2.540653 
1 1 1   10   14    7 o  143.862   2.5447  154.488   5.4582  157.706   13.027  153.803   6.0113  144.918   6.0292  143.522   2.8092 1.395767 6.651490 
1 1 1   10   14    8 o   68.854   3.5534   35.537   3.6354   37.128   8.9302   35.221   3.9802   69.437   8.8252   68.507   3.9129 0.9305496 9.653750 
1 1 1   10   14    9 o   33.492   8.2498   8.8400   4.0926   6.5750   7.8024   9.6997   4.8069   32.585   12.080   35.055   9.1127 -2.469543 15.13191 
1 1 1   10   14   10 o   91.197   3.2833   62.194   4.4645   64.695   10.466   61.637   4.9361   92.075   7.6942   90.756   3.6479 1.318817 8.515124 
1 1 1   10   14   11 o  154.573   2.4944  178.467   5.7488  168.006   10.861  182.537   6.7757  149.563   4.8707  156.271   2.9081 -6.707474 5.672813 
1 1 1   10   14   12 o  123.034   3.0876  113.224   5.6640  104.923   14.217  114.790   6.1752  116.998   8.2017  123.846   3.3442 -6.848511 8.857284 
1 1 1   10   14   13 o   67.796   5.2661   34.875   5.2813   34.495   7.8965   35.182   7.1040   66.637   8.1154   67.604   7.1568 -0.9667969 10.82029 
1 1 1   10   14   14 o   54.651   5.2100   22.809   4.1938   22.787   7.8948   22.818   4.9500   52.884   10.383   54.391   6.2154 -1.507702 12.10141 
1 1 1   10   14   15 o   31.173   8.1799   7.9216   3.8496   2.0303   7.0387   10.436   4.5983   25.852   10.839   35.634   8.7248 -9.782238 13.91437 
1 1 1   10   14   16 o   20.764   8.1426   2.3891   3.6739  -3.9443   7.0844   4.7190   4.2969   20.890   9.6599   25.168   9.0196 -4.277878 13.21613 
1 1 1   10   14   17 o   37.831   7.7341   12.051   4.2152   13.474   5.8877   10.555   6.0375   38.648   10.104   34.043   10.684 4.604996 14.70472 
1 1 1   10   14   18 o   56.433   5.7915   25.735   4.8039   26.270   10.014   25.575   5.4750   49.267   13.315   55.508   6.7547 -6.241310 14.93055 
1 1 1   10   15    0 o   73.916   8.0329   42.313   8.5877   42.313   8.5877   42.313   8.5877   73.916   8.0329   73.916   8.0329 0.000000 0.000000 
1 1 1   10   15    1 o   88.932   4.6585   59.318   6.1555   55.176   8.4243   64.062   9.0160   85.485   6.6622   92.159   6.6053 -6.674110 9.381625 
1 1 1   10   15    2 o  237.297   2.5224  420.208   8.9242  416.609   14.381  422.463   11.381  236.084   4.0855  237.858   3.2091 -1.773865 5.195156 
1 1 1   10   15    3 o  126.449   1.6493  119.253   3.1094  118.431   8.7402  119.372   3.3271  125.812   4.6594  126.508   1.7639 -0.6964645 4.982100 
1 1 1   10   15    4 o  192.030   1.9707  275.094   5.6422  280.061   11.519  273.527   6.4716  193.545   3.9919  191.460   2.2671 2.085190 4.590727 
1 1 1   10   15    5 o  286.144   3.0294  611.484   12.924   0.0000   0.0000  611.484   12.924  ?   ?   286.144   3.0294 0.000000 3.029387 
1 1 1   10   15    6 o  145.094   2.4312  157.140   5.2594  139.047   11.840  161.588   5.8703  136.079   5.8356  147.114   2.6763 -11.03464 6.420058 
1 1 1   10   15    7 o   28.523   7.1228   6.3764   3.0200   5.9825   7.4722   6.4533   3.3017   31.596   11.800   28.717   7.5947 2.878613 14.03314 
1 1 1   10   15    8 o   50.989   4.5111   19.635   3.3941   21.453   8.3021   19.271   3.7191   51.892   11.068   50.433   5.0124 1.458847 12.15018 
1 1 1   10   15    9 o  119.015   3.7269  106.024   6.6133   93.369   11.190  112.816   8.1981  110.967   6.7964  122.657   4.4828 -11.68999 8.141630 
1 1 1   10   15   10 o  108.950   3.0089   88.746   4.8876   97.238   11.769   86.977   5.3729  113.115   7.0130  107.822   3.3422 5.293060 7.768639 
1 1 1   10   15   11 o  135.728   2.7909  137.707   5.6479  132.827   13.300  138.781   6.2384  132.267   6.7666  136.217   3.0717 -3.950180 7.431137 
1 1 1   10   15   12 o   74.371   4.6404   41.753   5.1198   0.0000   0.0000   41.753   5.1198  ?   ?    74.371   4.6404 0.000000 4.640363 
1 1 1   10   15   13 o   57.266   6.2642   25.228   5.2613   29.739   10.929   23.867   6.0026   59.753   12.661   55.323   7.4681 4.429737 14.69949 
1 1 1   10   15   14 o   79.829   5.1747   48.616   6.1259   43.580   11.232   50.748   7.3087   72.964   10.637   81.221   6.0794 -8.257195 12.25216 
1 1 1   10   15   15 o  110.825   3.2983   92.611   5.4500   92.125   12.802   92.718   6.0230  107.313   8.0601  110.749   3.6475 -3.435913 8.847053 
1 1 1   10   15   16 o   55.961   5.2067   24.459   4.2944   8.5041   9.9770   28.087   4.7577   32.973   13.257   59.905   5.3843 -26.93198 14.30847 
1 1 1   10   15   17 o   38.128   7.5401   12.351   4.1345   12.271   9.2027   12.371   4.6279   34.903   13.084   37.589   8.4616 -2.686008 15.58159 
1 1 1   10   16    0 o   80.086   7.4834   49.258   8.7563   49.258   8.7563   49.258   8.7563   80.086   7.4834   80.086   7.4834 0.000000 0.000000 
1 1 1   10   16    1 o  233.859   3.0583  408.431   10.664  396.353   14.488  422.709   15.753  230.191   4.2214  237.678   4.4452 -7.486740 6.130255 
1 1 1   10   16    2 o  171.909   2.3250  220.544   5.9592  229.194   10.879  216.837   7.1229  175.044   4.1684  170.417   2.8033 4.626617 5.023381 
1 1 1   10   16    3 f  161.835   1.6930  195.362   4.0850  183.471   10.434  197.515   4.4394  156.561   4.4699  162.717   1.8299 -6.155151 4.829916 
1 1 1   10   16    4 o  118.720   2.3281  105.195   4.1209  123.761   13.524  103.294   4.3267  127.960   7.1165  117.634   2.4669 10.32544 7.531929 
1 1 1   10   16    5 o  294.899   2.2070  649.046   9.7041  657.842   13.872  640.616   13.580  296.721   3.1355  292.816   3.1106 3.905518 4.416704 
1 1 1   10   16    6 o   50.698   3.6149   19.320   2.7145   17.678   4.6143   20.190   3.3569   47.996   6.6247   51.732   4.3937 -3.735958 7.949338 
1 1 1   10   16    7 o   30.308   6.9158   7.2099   3.0562   4.7259   7.6689   7.6788   3.3322   30.364   11.804   31.253   7.2855 -0.8897247 13.87106 
1 1 1   10   16    8 o   67.427   3.3531   34.008   3.3709   39.126   5.5417   31.002   4.2470   71.969   5.1994   64.141   4.4689 7.828415 6.856009 
1 1 1   10   16    9 o   48.947   5.0940   18.203   3.6631   20.388   5.1970   16.046   5.1640   51.444   6.9538   45.304   7.9342 6.140488 10.55022 
1 1 1   10   16   10 o  149.864   3.0819  167.993   6.8863  150.221   13.608  174.111   7.9841  140.910   6.4770  152.492   3.5116 -11.58160 7.367712 
1 1 1   10   16   11 o   22.026   8.4531   2.5873   3.8953   3.7803   10.163   2.3818   4.2174   32.218   13.221   22.291   8.7290 9.926836 15.84260 
1 1 1   10   16   12 o   98.392   3.4715   72.603   5.0928   59.024   10.904   76.392   5.7596   87.059   8.5092  100.862   3.8300 -13.80308 9.331365 
1 1 1   10   16   13 o   76.103   4.7877   43.993   5.4048   28.821   10.326   49.719   6.3432   58.490   12.234   80.759   5.2974 -22.26852 13.33134 
1 1 1   10   16   14 o   62.002   5.4601   29.656   4.9961   37.044   10.194   27.321   5.7316   66.522   10.637   59.026   6.6272 7.495705 12.53229 
1 1 1   10   16   15 o   22.876   8.5656   3.5653   3.9419   0.2172   9.0428   4.3509   4.3800   26.167   11.614   24.570   9.0625 1.597193 14.73163 
1 1 1   10   16   16 o   20.318   8.9242   0.1634   5.2070   0.0000   0.0000   0.1634   5.2070  ?   ?    20.318   8.9242 0.000000 8.924168 
1 1 1   10   16   17 o   28.541   9.1028   7.4414   4.3679   7.5859   9.1379   7.3986   4.9728   29.563   12.370   28.362   9.7389 1.200981 15.74338 
1 1 1   10   17    0 f   27.449   14.303   8.3393   7.6360   8.3393   7.6360   8.3393   7.6360   27.449   14.303   27.449   14.303 0.000000 0.000000 
1 1 1   10   17    1 o   85.800   4.9943   55.376   6.3613   61.905   8.6892   47.834   9.3384   90.468   6.4849   79.136   8.0256 11.33214 10.31814 
1 1 1   10   17    2 f   79.962   5.6396   48.253   6.6805   45.450   7.5056   58.939   14.656   77.424   6.5636   86.870   11.606 -9.446365 13.33333 
1 1 1   10   17    3 o   15.008   5.3531   1.4435   1.5118  -2.3466   10.666   1.5212   1.5272   28.880   12.726   15.254   5.3867 13.62607 13.81883 
1 1 1   10   17    4 o  108.723   2.1111   88.222   3.4222   88.658   6.3216   88.041   4.0702  108.842   3.8955  108.586   2.5140 0.2567291 4.636262 
1 1 1   10   17    5 o  144.873   2.6459  156.763   5.7151  154.314   6.5990  164.111   11.431  143.688   3.0803  147.828   5.1864 -4.140350 6.032106 
1 1 1   10   17    6 o   99.572   2.6778   74.069   3.9754   66.801   5.3399   83.105   5.9544   94.461   3.7915  105.359   3.7905 -10.89873 5.361282 
1 1 1   10   17    7 o   35.824   8.1482   10.145   4.2539   6.4716   8.5456   11.355   4.9047   33.105   12.564   37.825   8.8535 -4.720165 15.37005 
1 1 1   10   17    8 o  118.406   2.9860  104.838   5.2715  101.132   7.0843  109.437   7.8907  116.139   4.0912  120.763   4.3824 -4.623909 5.995256 
1 1 1   10   17    9 o   92.437   3.3338   63.959   4.5947   66.196   6.6980   61.971   6.3147   93.714   4.8099   90.692   4.6860 3.022697 6.715156 
1 1 1   10   17   10 o  110.509   3.1467   91.409   5.1847   92.900   7.9243   90.293   6.8557  111.115   4.7832  109.662   4.1930 1.452698 6.360830 
1 1 1   10   17   11 o   71.487   5.0229   38.747   5.3197   0.0000   0.0000   38.747   5.3197  ?   ?    71.487   5.0229 0.000000 5.022870 
1 1 1   10   17   12 o  156.968   2.8226  184.591   6.6058  192.283   15.789  182.958   7.2729  158.413   6.6849  156.186   3.1232 2.227417 7.378457 
1 1 1   10   17   13 o   89.918   4.9313   61.687   6.5860   70.356   11.824   57.788   7.9300   93.981   8.5313   86.451   6.1932 7.529701 10.54224 
1 1 1   10   17   14 o   77.180   4.1182   45.430   4.7219   44.740   10.876   45.591   5.2417   72.504   10.355   77.113   4.5796 -4.609001 11.32234 
1 1 1   10   17   15 o   17.813   7.7647   0.0057   3.8763  -1.3304   8.6485   0.3416   4.3362   24.190   10.993   19.079   8.2649 5.111099 13.75296 
1 1 1   10   17   16 o   54.975   5.8437   24.383   4.7164   0.0000   0.0000   24.383   4.7164  ?   ?    54.975   5.8437 0.000000 5.843673 
1 1 1   10   18    0 f   22.795   14.857  -0.7741   12.269  -0.7741   12.269  -0.7741   12.269   22.795   14.857   22.795   14.857 0.000000 0.000000 
1 1 1   10   18    1 o   32.957   12.683   5.9614   8.7844   2.4341   12.558   9.3411   12.292   34.419   14.457   39.509   15.051 -5.089130 20.86950 
1 1 1   10   18    2 o  113.248   6.3518   96.977   10.682   96.437   14.158   97.691   16.274  112.303   8.5191  112.588   9.7924 -0.2848740 12.97948 
1 1 1   10   18    3 o   89.615   1.8269   59.927   2.4409   46.334   8.1441   61.269   2.5586   77.966   7.0832   90.609   1.8939 -12.64294 7.332013 
1 1 1   10   18    4 o  141.732   1.8901  149.916   3.9941  147.273   6.5393  151.490   5.0443  140.345   3.1251  142.429   2.3754 -2.084152 3.925388 
1 1 1   10   18    5 o  143.620   2.2410  154.020   4.7988  150.631   6.6279  157.753   6.9571  141.922   3.1322  145.227   3.2130 -3.304550 4.487122 
1 1 1   10   18    6 o   76.078   2.7268   43.258   3.0930   43.049   4.9309   43.393   3.9715   75.616   4.3925   76.135   3.4987 -0.5185089 5.615621 
1 1 1   10   18    7 o  115.644   2.7592   99.974   4.7574   94.086   11.212  101.267   5.2538  111.216   6.7940  116.357   3.0284 -5.140923 7.438411 
1 1 1   10   18    8 o   76.102   3.1073   43.335   3.5257   46.800   5.5563   40.999   4.5617   78.751   4.7545   73.799   4.1628 4.951790 6.319300 
1 1 1   10   18    9 o   63.085   4.4245   30.056   4.1352   27.541   5.9900   32.347   5.7158   59.828   6.8379   65.127   5.9522 -5.298496 9.065628 
1 1 1   10   18   10 o  123.628   2.8148  114.384   5.1885  125.135   8.7690  108.593   6.4360  128.901   4.5627  120.312   3.5879 8.588654 5.804428 
1 1 1   10   18   11 o   79.009   4.2802   47.192   5.0233   0.0000   0.0000   47.192   5.0233  ?   ?    79.009   4.2802 0.000000 4.280213 
1 1 1   10   18   12 o  123.932   3.0769  115.371   5.6854  119.228   13.690  114.568   6.2498  123.529   7.4679  123.397   3.3970 0.1322861 8.204205 
1 1 1   10   18   13 o   43.575   6.5345   15.103   4.1145   8.4135   9.2723   16.743   4.5913   33.525   12.994   45.743   6.9506 -12.21807 14.73629 
1 1 1   10   18   14 o   79.033   3.8952   47.642   4.5900   52.520   10.957   46.604   5.0549   78.295   9.5865   77.827   4.3740 0.4678726 10.53722 
1 1 1   10   18   15 f   34.203   8.1447   10.193   4.0939   10.964   8.8455   9.9829   4.6183   33.527   12.769   33.346   9.0554 0.1817780 15.65369 
1 1 1   10   18   16 o   33.727   8.0872   10.232   4.0141   5.5313   8.4775   11.591   4.5574   27.123   11.652   35.503   8.6818 -8.379871 14.53069 
1 1 1   10   19    0 o  236.734   4.6553  419.451   16.417  419.451   16.417  419.451   16.417  236.734   4.6553  236.734   4.6553 0.000000 0.000000 
1 1 1   10   19    1 o   94.537   5.3955   67.471   7.5736   70.802   9.4993   61.659   12.547   96.545   6.6396   89.151   9.5906 7.393898 11.66460 
1 1 1   10   19    2 o  111.738   2.7263   93.307   4.5420   91.576   4.9862  101.745   11.009  110.666   3.0219  115.870   6.3973 -5.204231 7.075145 
1 1 1   10   19    3 o  151.036   1.7233  170.233   3.8807  164.718   10.525  171.101   4.1749  148.069   4.7674  151.409   1.8494 -3.340103 5.113534 
1 1 1   10   19    4 o   34.667   4.1213   9.1384   2.0885   12.758   4.1305   7.8951   2.4207   40.442   7.1096   31.979   5.2599 8.463676 8.843819 
1 1 1   10   19    5 o  111.671   2.2879   93.146   3.8093  101.454   6.6850   89.151   4.6355  116.337   3.8540  109.191   2.8473 7.145378 4.791735 
1 1 1   10   19    6 o   60.978   3.2059   27.907   2.9045   27.460   4.7838   28.168   3.6553   60.118   5.3945   61.145   4.0321 -1.027008 6.734840 
1 1 1   10   19    7 o  164.952   2.4666  203.345   6.0662  203.591   10.970  203.237   7.2808  164.585   4.4703  164.817   2.9628 -0.2323303 5.363011 
1 1 1   10   19    8 o   38.368   5.5139   11.340   3.0636   7.1030   4.7095   14.449   4.0338   30.272   9.4252   43.175   6.4651 -12.90294 11.42947 
1 1 1   10   19    9 o   79.322   3.8606   47.265   4.5659   46.994   6.0192   47.632   7.0072   78.700   5.1582   78.994   5.9941 -0.2946396 7.908038 
1 1 1   10   19   10 o  151.191   2.3594  170.999   5.3186  169.472   8.4814  171.989   6.8280  150.104   3.7897  151.460   3.0236 -1.355164 4.848109 
1 1 1   10   19   11 o   67.003   4.2562   34.081   4.2299   45.045   10.045   31.717   4.6636   74.810   9.1991   64.442   4.8902 10.36840 10.41818 
1 1 1   10   19   12 o   65.139   3.9501   32.271   3.8183   35.002   6.6473   30.926   4.6646   66.609   6.7883   63.396   4.9748 3.212345 8.416039 
1 1 1   10   19   13 o   88.499   4.9270   60.613   6.4755   70.398   11.331   55.868   7.8909   92.382   8.3157   83.944   6.3518 8.437515 10.46404 
1 1 1   10   19   14 o   24.048   8.4437   4.6692   3.7481  -7.6850   8.2474   7.8849   4.2077   20.012   9.5976   29.901   8.8290 -9.889069 13.04092 
1 1 1   10   19   15 o   16.333   7.3237  -0.6488   3.6929  -3.8372   8.6295   0.0660   4.0859   21.668   10.226   17.822   7.8637 3.846199 12.89979 
1 1 1   10   20    0 o   19.752   12.855  -0.4520   9.1378  -0.4520   9.1378  -0.4520   9.1378   19.752   12.855   19.752   12.855 0.000000 0.000000 
1 1 1   10   20    1 o   19.739   9.0484  -3.9474   6.0283   0.7376   8.1540  -9.5950   8.9526   27.099   11.528   21.930   10.370 5.168768 15.50594 
1 1 1   10   20    2 o  104.362   2.8856   81.457   4.4900   83.687   4.9323   70.670   10.848  105.751   3.1282   95.999   7.6425 9.752548 8.257960 
1 1 1   10   20    3 o   35.360   3.1054   9.4278   1.6206   14.949   4.1272   8.4212   1.7621   43.967   6.4912   33.333   3.6030 10.63398 7.424114 
1 1 1   10   20    4 o   56.936   2.8197   24.245   2.3936   15.730   4.4403   27.734   2.8419   45.030   6.8279   60.790   3.1463 -15.76055 7.517901 
1 1 1   10   20    5 o   69.964   2.8852   36.620   3.0096   37.765   4.9431   35.945   3.7939   70.690   4.7170   69.142   3.6936 1.547928 5.991072 
1 1 1   10   20    6 o   85.258   2.6436   54.357   3.3605   58.916   5.3949   51.467   4.2956   88.571   4.0853   82.866   3.4768 5.704292 5.364491 
1 1 1   10   20    7 o   74.340   3.3832   41.427   3.7499   25.490   7.7012   46.380   4.2932   56.597   9.4603   78.622   3.6624 -22.02479 10.14446 
1 1 1   10   20    8 o   11.755   5.6579  -4.3245   2.9243  -6.4647   4.4253  -2.6654   3.8962   14.436   6.9512   15.788   7.2510 -1.351617 10.04469 
1 1 1   10   20    9 o   30.795   6.9540   7.5662   3.1174   9.8376   4.9148   6.0373   4.0323   34.741   9.3028   27.796   8.7323 6.945768 12.75912 
1 1 1   10   20   10 o   28.905   7.6155   6.7559   3.3279   3.9072   5.9661   8.0426   4.0097   26.400   10.369   31.399   8.4005 -4.999216 13.34471 
1 1 1   10   20   11 o   59.747   4.5006   27.329   3.9798   30.282   7.6788   26.244   4.6535   60.862   8.7105   58.200   5.4253 2.662281 10.26196 
1 1 1   10   20   12 o   34.300   7.5431   9.7899   3.7526   17.049   5.4527   3.2578   5.1724   45.054   8.4271   23.883   9.5652 21.17137 12.74786 
1 1 1   10   20   13 f   28.386   8.0205   6.9434   3.5446   12.664   6.4951   4.5170   4.2301   36.569   11.010   24.178   8.9079 12.39121 14.16194 
1 1 1   10   20   14 o   29.087   8.2782   7.5791   3.7619   2.4409   6.4379   10.243   4.6357   23.402   10.104   33.321   9.0823 -9.918859 13.58607 
1 1 1   10   20   15 o   17.723   7.7702   0.5467   3.9315   0.2809   10.082   0.5943   4.2695   24.145   11.286   18.319   8.0627 5.826141 13.87021 
1 1 1   10   21    0 o   32.311   16.063   11.940   9.3705   11.940   9.3705   11.940   9.3705   32.311   16.063   32.311   16.063 0.000000 0.000000 
1 1 1   10   21    1 o   44.055   10.431   15.721   6.7454   12.142   8.8693   20.632   10.389   39.396   13.003   49.771   13.609 -10.37546 18.82199 
1 1 1   10   21    2 f   97.010   3.0409   70.445   4.3984   73.570   4.7472   51.498   11.690   99.115   3.2124   80.853   9.9042 18.26177 10.41219 
1 1 1   10   21    3 f  131.900   1.7346  129.874   3.4113  135.819   6.4703  127.585   4.0147  134.662   3.2226  130.697   2.0602 3.965607 3.824878 
1 1 1   10   21    4 o   87.392   2.1675   57.061   2.8242   56.313   5.3155   57.355   3.3337   86.571   4.1182   87.580   2.5530 -1.009392 4.845330 
1 1 1   10   21    5 o   82.181   2.6150   50.518   3.2041   48.286   5.2120   51.874   4.0624   79.984   4.3872   83.197   3.2750 -3.212685 5.474782 
1 1 1   10   21    6 o   45.138   4.4872   15.500   2.9799   11.631   4.5700   18.361   3.9303   38.117   8.2784   48.945   5.4798 -10.82772 9.927728 
1 1 1   10   21    7 f   92.461   2.7810   64.030   3.8338   64.026   5.9376   64.033   5.0207   92.154   4.3214   92.308   3.6480 -0.1542664 5.655336 
1 1 1   10   21    8 o   86.512   2.8409   56.116   3.6644   60.166   5.8021   53.428   4.7263   89.234   4.3610   84.233   3.7633 5.000717 5.760277 
1 1 1   10   21    9 o   51.802   4.3465   20.468   3.3260   23.479   5.3438   18.563   4.2494   54.711   6.6904   48.826   5.9610 5.884422 8.960774 
1 1 1   10   21   10 o   54.959   4.1039   23.056   3.3386   18.889   5.2960   25.804   4.3008   48.348   7.5973   57.827   5.0386 -9.478390 9.116302 
1 1 1   10   21   11 o   22.336   7.7490   3.8034   3.1523   9.2736   5.1842   0.5946   3.9706   32.602   9.8407   18.776   8.0176 13.82553 12.69335 
1 1 1   10   21   12 o   67.303   3.6595   34.703   3.6584   32.549   5.8056   36.122   4.7115   63.604   6.2008   68.101   4.6684 -4.496517 7.761656 
1 1 1   10   21   13 o   35.544   6.7333   10.657   3.4377   13.258   5.1258   8.5302   4.6344   38.004   9.1548   30.350   9.3335 7.654022 13.07384 
1 1 1   10   21   14 o   19.583   7.8378   2.5345   3.4703  -2.3311   6.6583   4.3492   4.0663   19.581   9.1587   22.841   8.6672 -3.259590 12.60962 
1 1 1   10   22    0 o   51.251   15.845   25.176   10.598   25.176   10.598   25.176   10.598   51.251   15.845   51.251   15.845 0.000000 0.000000 
1 1 1   10   22    1 o   30.105   5.9158   7.1054   2.5607   7.7797   2.6399  -3.6234   10.531   31.555   5.8258   27.303   12.295 4.251987 13.60517 
1 1 1   10   22    2 o  150.043   2.6711  168.453   5.9755  175.454   6.6999  141.225   13.212  153.070   2.9357  136.146   6.5089 16.92441 7.140328 
1 1 1   10   22    3 o   55.333   2.3874   22.895   1.9696   30.871   4.5153   21.020   2.1889   63.786   4.7826   52.918   2.7840 10.86785 5.533905 
1 1 1   10   22    4 f  112.285   1.9389   94.191   3.2460   96.932   6.1381   93.128   3.8245  113.604   3.6239  111.600   2.2984 2.003502 4.291298 
1 1 1   10   22    5 o   59.437   3.2197   26.581   2.8426   26.247   4.9406   26.746   3.4756   58.480   5.7403   59.486   3.9410 -1.006199 6.962933 
1 1 1   10   22    6 o   26.195   6.9195   5.4735   2.7428   5.6706   4.3119   5.3396   3.5548   27.290   9.0689   26.173   8.1952 1.116440 12.22316 
1 1 1   10   22    7 o   83.971   2.7985   52.894   3.5037   56.409   5.5251   50.530   4.5313   86.354   4.2913   81.880   3.7117 4.473946 5.673819 
1 1 1   10   22    8 o  121.919   2.4357  111.441   4.4277  115.709   6.9476  108.521   5.7456  123.748   3.7656  120.063   3.2096 3.685425 4.947845 
1 1 1   10   22    9 f   55.757   4.3105   23.818   3.5556   28.834   6.2178   21.382   4.3341   60.091   7.0756   52.304   5.6472 7.786789 9.052891 
1 1 1   10   22   10 f   56.334   3.9674   24.335   3.3110   24.885   5.3019   23.983   4.2393   55.709   6.5058   55.382   5.1947 0.3263016 8.325253 
1 1 1   10   22   11 o   15.461   6.7997  -0.2862   3.0318   6.1001   4.9584  -4.0994   3.8314   26.949   9.6858   13.997   6.6660 12.95261 11.75796 
1 1 1   10   22   12 o   18.994   7.5612   2.1601   3.2124  -0.6799   4.8191   4.4311   4.3094   18.471   8.3173   23.634   8.9335 -5.163807 12.20596 
1 1 1   10   22   13 o   49.114   4.6644   19.272   3.3747   19.251   5.3061   19.286   4.3732   46.342   7.9667   47.895   6.2749 -1.553768 10.14113 
1 1 1   10   23    0 o   19.219   12.695  -1.5209   9.4220  -1.5209   9.4220  -1.5209   9.4220   19.219   12.695   19.219   12.695 0.000000 0.000000 
1 1 1   10   23    1 o   22.207   7.0408   3.7513   2.6162   3.3367   2.6993   10.174   10.624   21.380   7.1766   37.558   14.062 -16.17809 15.78760 
1 1 1   10   23    2 o  120.659   2.8647  109.116   5.1536  112.413   5.6381   92.368   12.707  122.415   3.0891  108.864   7.8822 13.55038 8.465874 
1 1 1   10   23    3 o  140.838   1.9666  148.265   4.1296  134.127   11.187  150.495   4.4435  132.678   5.6550  141.867   2.1007 -9.188858 6.032586 
1 1 1   10   23    4 o  113.704   1.9550   96.655   3.3144  100.507   6.1409   95.072   3.9370  115.568   3.5639  112.699   2.3430 2.868561 4.265088 
1 1 1   10   23    5 o   59.497   3.1267   26.673   2.7639   35.317   5.0329   22.940   3.3073   67.962   5.0020   54.956   4.0652 13.00605 6.445632 
1 1 1   10   23    6 o   55.917   3.7943   23.727   3.1446   26.544   4.8817   21.729   4.1113   58.552   5.6627   53.065   5.2658 5.486370 7.732719 
1 1 1   10   23    7 o   58.211   3.7137   25.742   3.2064   28.730   4.9466   23.576   4.2109   60.851   5.5119   55.211   5.1757 5.639923 7.561065 
1 1 1   10   23    8 o   67.001   3.4258   34.074   3.4108   40.105   5.2916   29.787   4.4612   72.022   4.9580   62.069   4.8594 9.952732 6.942313 
1 1 1   10   23    9 o   43.401   5.1072   14.819   3.2416   9.3832   5.5861   17.580   3.9804   32.383   10.291   46.975   5.8069 -14.59222 11.81586 
1 1 1   10   23   10 o   31.196   6.6102   8.1379   2.9790   4.7023   4.5216   10.773   3.9600   24.510   9.1744   35.390   7.7220 -10.87991 11.99164 
1 1 1   10   23   11 o   26.607   7.4867   6.2105   3.0951   13.089   5.0174   1.9850   3.9325   37.667   9.0474   19.756   8.1775 17.91046 12.19537 
1 1 1   10   23   12 o   12.727   6.0049  -2.5223   2.9726   0.8207   4.7305  -4.7037   3.8212   19.237   8.4760   13.237   6.3949 6.000371 10.61781 
1 1 1   10   24    0 o   32.948   16.291   12.856   9.6160   12.856   9.6160   12.856   9.6160   32.948   16.291   32.948   16.291 0.000000 0.000000 
1 1 1   10   24    1 o   65.934   3.3672   32.804   3.2991   34.637   3.4928   17.646   10.045   67.730   3.4705   44.584   13.746 23.14614 14.17744 
1 1 1   10   24    2 o   37.341   6.1775   10.997   3.3191   11.868   3.5214   4.0681   9.9348   38.780   6.3070   30.901   12.911 7.878742 14.36913 
1 1 1   10   24    3 o   98.091   1.8779   71.965   2.7464   78.022   5.3911   69.842   3.1916  101.705   3.5552   96.571   2.2167 5.134476 4.189646 
1 1 1   10   24    4 o   31.163   4.5622   7.5376   2.0570   13.189   4.3754   5.9342   2.3306   40.356   7.5493   27.245   5.9075 13.11075 9.585940 
1 1 1   10   24    5 o   38.345   4.4007   11.337   2.4704   12.461   4.5795   10.876   2.9339   38.826   8.1695   37.225   5.4474 1.601234 9.819104 
1 1 1   10   24    6 o   40.356   5.1403   12.738   3.0227   12.654   5.0203   12.786   3.7858   38.590   8.9062   39.855   6.6019 -1.265720 11.08630 
1 1 1   10   24    7 o   51.905   4.2658   20.778   3.2720   22.861   5.4020   19.570   4.1122   53.044   7.0015   49.751   5.6436 3.293598 8.992824 
1 1 1   10   24    8 o   46.211   4.9291   16.797   3.3437   20.522   5.9981   15.118   4.0275   48.804   8.5548   43.021   6.4800 5.783253 10.73198 
1 1 1   10   24    9 o   43.827   4.8025   15.202   3.0868   14.018   4.8977   15.982   3.9759   39.743   8.5211   44.128   6.2152 -4.384331 10.54695 
1 1 1   10   24   10 o   45.974   4.9014   16.906   3.3079   14.446   5.8126   18.084   4.0228   38.487   10.028   46.890   5.8836 -8.403309 11.62697 
1 1 1   10   24   11 o   15.006   6.6538  -0.1519   2.9608  -0.9113   4.5724   0.3964   3.8854   17.358   7.9284   17.409   7.6756 -0.5113029E-01 11.03514 
1 1 1   10   24   12 o   30.777   7.2261   8.7296   3.2592   12.981   4.8560   5.2441   4.3967   35.780   9.0858   23.458   8.9858 12.32186 12.77873 
1 1 1   10   25    0 o   21.596   13.571   2.8165   9.1406   2.8165   9.1406   2.8165   9.1406   21.596   13.571   21.596   13.571 0.000000 0.000000 
1 1 1   10   25    1 o   55.251   3.9783   23.297   3.2553   23.186   3.4521   24.188   9.7803   55.033   4.2399   51.289   12.824 3.743591 13.50641 
1 1 1   10   25    2 o   37.300   6.2009   11.108   3.3275   10.234   3.5647   17.034   9.2772   35.469   6.9891   42.656   13.220 -7.186432 14.95390 
1 1 1   10   25    3 o   40.130   3.0778   12.224   1.8275   6.9281   4.0601   13.569   2.0465   28.776   8.7138   42.244   3.2747 -13.46832 9.308815 
1 1 1   10   25    4 o   60.110   2.8492   27.251   2.5535   26.471   5.2666   27.491   2.9196   57.724   6.2174   60.180   3.2662 -2.455757 7.023111 
1 1 1   10   25    5 o   23.738   6.4125   4.6342   2.3231   0.3610   5.2518   5.6738   2.5903   20.700   9.0301   26.181   6.6293 -5.481060 11.20227 
1 1 1   10   25    6 o   26.080   6.3978   5.6538   2.4689   12.481   4.6623   2.9932   2.9105   37.884   8.4672   20.290   7.4021 17.59373 11.24650 
1 1 1   10   25    7 o   22.414   7.5793   4.1202   3.0110   3.9825   4.4047   4.2410   4.1253   23.262   8.9728   23.403   8.7626 -0.1411800 12.54168 
1 1 1   10   25    8 o   23.914   7.4888   4.9504   2.9683   3.7976   4.5818   5.7841   3.8966   22.852   9.0512   25.547   8.6223 -2.694597 12.50072 
1 1 1   10   25    9 o   38.876   5.7201   12.517   3.2165   10.183   4.8362   14.369   4.3072   32.292   9.4456   40.412   7.4220 -8.119968 12.01273 
1 1 1   10   25   10 o   16.457   6.9077   1.1837   2.8639   6.8216   4.6564  -2.2466   3.6321   26.244   9.3910   14.386   6.7402 11.85774 11.55951 
1 1 1   10   25   11 o   18.668   7.4488   2.6111   3.1244   1.5195   4.5291   3.6023   4.3157   18.895   8.3104   21.017   8.6188 -2.122051 11.97275 
1 1 1   10   26    0 o   53.867   12.951   26.657   9.0203   26.657   9.0203   26.657   9.0203   53.867   12.951   53.867   12.951 0.000000 0.000000 
1 1 1   10   26    1 o   26.244   6.8031   5.7425   2.6841   6.4789   2.8158  -1.5798   8.8790   27.868   6.8301   24.170   11.043 3.697853 12.98445 
1 1 1   10   26    2 o   36.019   14.200   12.840   11.228   0.0000   0.0000   12.840   11.228  ?   ?    36.019   14.200 0.000000 14.19962 
1 1 1   10   26    3 o   7.6580   3.7649  -2.9980   1.4979  -2.5601   3.7739  -3.0799   1.6319   15.017   6.9808   8.1279   3.9824 6.888802 8.036840 
1 1 1   10   26    4 o   30.504   4.6342   7.3838   2.0413   10.929   4.0448   6.1724   2.3645   35.552   7.8413   27.326   5.9706 8.226572 9.855685 
1 1 1   10   26    5 o   25.254   5.9065   5.3120   2.1843   3.3153   4.2784   6.0159   2.5403   22.096   8.7481   26.683   6.4554 -4.586998 10.87204 
1 1 1   10   26    6 f   21.426   6.6847   3.8679   2.3676   0.9746   4.2206   5.1964   2.8600   18.950   8.1815   24.437   7.2940 -5.487446 10.96081 
1 1 1   10   26    7 o   65.867   3.5234   33.581   3.4477   31.411   5.8732   34.722   4.2586   61.030   6.5573   66.366   4.3275 -5.335800 7.856602 
1 1 1   10   26    8 o   20.371   7.4522   3.4241   2.9530   4.2018   4.4186   2.7964   3.9698   22.561   8.9035   20.309   8.2901 2.252516 12.16547 
1 1 1   10   26    9 o   15.203   6.6783   0.2721   2.9168   2.4249   4.4950  -1.2937   3.8334   20.023   8.5398   15.428   7.1243 4.594374 11.12130 
1 1 1   10   27    0 o   13.879   9.7483  -6.9049   7.7523  -6.9049   7.7523  -6.9049   7.7523   13.879   9.7483   13.879   9.7483 0.000000 0.000000 
1 1 1   10   27    1 o   49.300   4.0944   18.974   2.9824   19.287   3.2024   16.931   8.1872   49.548   4.3800   39.476   12.449 10.07226 13.19695 
1 1 1   10   27    2 f   22.505   7.7265   4.2552   3.1300   2.8342   3.3979   12.217   8.0427   20.218   7.8577   33.650   12.300 -13.43210 14.59586 
1 1 1   10   27    3 o   37.580   3.0169   10.846   1.6762   9.4706   3.9345   11.151   1.8527   32.324   8.1621   37.999   3.3030 -5.674622 8.805106 
1 1 1   10   27    4 o   30.053   4.5423   7.2553   1.9718   9.2513   3.8058   6.5229   2.3054   31.878   8.0156   27.899   5.7339 3.979296 9.855302 
1 1 1   10   27    5 o   13.459   5.7752   0.2785   2.0782  -0.2315   3.9832   0.4692   2.4360   17.002   7.6163   14.651   6.2686 2.351890 9.864241 
1 1 1   10   27    6 o   14.532   6.2193   0.5087   2.3990   7.6024   5.3987  -1.2367   2.6779   27.243   10.059   13.060   6.0031 14.18228 11.71387 
1 1 1   10   27    7 f   15.549   6.6516   0.8005   2.7419   6.4230   4.4051  -2.7555   3.5033   25.303   9.1253   13.598   6.4464 11.70482 11.17256 
1 1 1   10   27    8 o   16.663   6.8807   1.6589   2.7747   5.1480   4.2391  -0.9566   3.6702   22.901   8.8111   15.201   7.0022 7.699184 11.25466 
1 1 1   10   28    0 o   22.080   13.207   5.9438   7.7318   5.9438   7.7318   5.9438   7.7318   22.080   13.207   22.080   13.207 0.000000 0.000000 
1 1 1   10   28    1 o   23.333   6.9222   4.8509   2.5816   4.9422   2.7347   4.1033   7.8260   23.465   7.1617   24.506   10.844 -1.041302 12.99578 
1 1 1   10   28    2 o   16.823   7.0978   1.2046   3.0491   0.6080   3.3265   4.3406   7.6266   16.550   7.2041   24.441   10.766 -7.890512 12.95380 
1 1 1   10   28    3 o   33.863   3.3018   8.9540   1.6459   13.728   3.9523   7.9524   1.8103   39.297   7.0023   31.603   3.9265 7.694220 8.028035 
1 1 1   10   28    4 o   30.274   4.6082   7.5048   2.0144   13.123   4.1200   5.7400   2.3092   37.675   7.5969   25.548   6.1388 12.12737 9.767132 
1 1 1   10   28    5 o   65.929   2.8941   33.516   2.8449   40.587   5.9530   31.424   3.2386   68.966   5.8443   63.323   3.4432 5.643551 6.783156 
1 1 1   10   28    6 o   20.934   6.6898   4.0277   2.3583   1.3732   4.3602   5.1253   2.8037   18.303   8.0971   23.147   7.2831 -4.844019 10.89067 
1 1 1   10   29    0 o   30.092   14.510   12.700   7.5560   12.700   7.5560   12.700   7.5560   30.092   14.510   30.092   14.510 0.000000 0.000000 
1 1 1   10   29    1 o   14.438   6.3231   0.3562   2.5974   0.3562   2.5974   0.0000   0.0000   14.438   6.3231  ?   ?  0.000000 6.323148 
1 1 1   10   29    2 o   18.017   7.3482   2.3454   3.1155   3.7071   3.2447 -13.7360   11.151   20.276   7.7307   18.516   9.2897 1.759943 12.08559 
1 1 1   10   29    3 o   18.263   7.7026   2.2452   3.5884   4.8720   3.7975 -19.6605   10.966   22.110   8.3792   17.051   8.6348 5.058235 12.03205 
1 1 1   10   29    4 o   30.569   4.3798   7.7508   1.9392   10.749   4.5070   7.0696   2.1482   31.023   9.1312   28.580   5.2341 2.442955 10.52493 
1 1 1   11    1    0 o  234.430   2.4091  409.873   8.4184  409.873   8.4184  409.873   8.4184  234.430   2.4091  234.430   2.4091 0.000000 0.000000 
1 1 1   11    1    1 o  246.482   1.7065  452.957   6.2715  453.246   8.7778  452.655   8.9638  246.549   2.3879  246.387   2.4401 0.1616974 3.414065 
1 1 1   11    1    2 o  269.316   1.9714  540.781   7.9161  519.381   12.215  556.277   10.394  263.909   3.1043  273.136   2.5523 -9.227112 4.018879 
1 1 1   11    1    3 o  274.129   1.9267  560.270   7.8747  558.639   12.107  561.465   10.367  273.708   2.9667  274.410   2.5340 -0.7012329 3.901582 
1 1 1   11    1    4 o  246.039   1.7667  451.322   6.4809  450.062   9.1376  452.598   9.1934  245.685   2.4945  246.376   2.5027 -0.6912384 3.533560 
1 1 1   11    1    5 o  368.979   2.3441  1015.10   12.896  1006.52   16.357  1029.19   20.961  367.399   2.9861  371.487   3.7845 -4.087830 4.820689 
1 1 1   11    1    6 o  502.874   2.5731  1885.55   19.292  1884.35   27.360  1886.73   27.208  502.668   3.6505  502.987   3.6280 -0.3188477 5.146723 
1 1 1   11    1    7 o  186.419   2.1468  259.108   5.9669  250.418   7.8427  271.053   9.1947  183.255   2.8704  190.649   3.2347 -7.394348 4.324608 
1 1 1   11    1    8 o  335.402   2.1853  838.773   10.928  849.180   15.719  829.038   15.203  337.446   3.1242  333.422   3.0582 4.023743 4.371907 
1 1 1   11    1    9 o  330.441   2.2117  814.199   10.897  818.217   15.545  810.318   15.279  331.216   3.1478  329.615   3.1090 1.600830 4.424267 
1 1 1   11    1   10 o   78.528   2.9753   45.998   3.4835   43.513   5.6386   47.532   4.4301   76.174   4.9923   79.813   3.7228 -3.639397 6.227570 
1 1 1   11    1   11 o  214.754   1.9921  343.940   6.3784  328.795   11.831  350.146   7.5733  209.873   3.7809  216.668   2.3444 -6.794968 4.448713 
1 1 1   11    1   12 o  161.555   2.3202  194.701   5.5888  200.862   10.024  191.922   6.7323  163.978   4.1000  160.374   2.8155 3.604034 4.973623 
1 1 1   11    1   13 o  151.007   2.2685  170.126   5.1075  164.436   7.7070  174.582   6.8202  148.382   3.4836  152.928   2.9912 -4.545517 4.591605 
1 1 1   11    1   14 o   53.576   4.4784   21.626   3.5446   25.937   5.6126   18.766   4.5716   58.395   6.5600   49.598   6.3261 8.796577 9.113319 
1 1 1   11    1   15 o  164.001   2.3710  200.754   5.7977  191.181   10.812  204.618   6.8688  159.782   4.5383  165.533   2.7831 -5.751144 5.323720 
1 1 1   11    1   16 o  188.645   2.3847  265.671   6.7072  275.711   13.113  262.113   7.8056  191.811   4.5853  187.328   2.7947 4.483124 5.369825 
1 1 1   11    1   17 o   62.548   4.5539   29.513   4.2177   33.895   6.4583   26.255   5.5694   66.652   6.5849   58.605   6.4824 8.047260 9.240270 
1 1 1   11    1   18 o  120.675   2.6051  108.916   4.6871  111.943   8.4794  107.585   5.6246  121.903   4.6653  119.845   3.1477 2.057304 5.627924 
1 1 1   11    1   19 o  107.406   2.6378   86.464   4.2242   83.339   7.5647   87.880   5.0920  104.784   4.8420  108.157   3.1576 -3.372711 5.780636 
1 1 1   11    1   20 o   54.716   4.5166   22.986   3.6517   22.810   5.8772   23.096   4.6606   53.132   7.6386   54.327   5.8457 -1.195766 9.618751 
1 1 1   11    1   21 o   18.650   7.6097   1.5213   3.3431   8.1340   5.3073  -2.8285   4.3045   30.481   10.058   16.117   7.4800 14.36330 12.53463 
1 1 1   11    2    0 o  226.878   2.4228  383.895   8.1934  383.895   8.1934  383.895   8.1934  226.878   2.4228  226.878   2.4228 0.000000 0.000000 
1 1 1   11    2    1 o  643.100   3.3095  3084.25   31.733  3091.04   40.864  3073.93   50.366  643.734   4.2576  641.852   5.2630 1.882019 6.769519 
1 1 1   11    2    2 o  317.843   2.0575  753.221   9.7504  751.330   14.881  754.643   12.907  317.417   3.1444  318.128   2.7211 -0.7108765 4.158349 
1 1 1   11    2    3 o   92.555   2.2407   63.871   3.0921   60.146   4.0185   69.278   4.8413   89.811   3.0010   96.384   3.3689 -6.573631 4.511702 
1 1 1   11    2    4 o  128.079   1.8188  122.304   3.4732  121.524   4.8305  123.138   4.9976  127.665   2.5377  128.510   2.6083 -0.8446884 3.639122 
1 1 1   11    2    5 o  598.693   3.1756  2672.81   28.346  2695.12   36.795  2640.25   44.460  601.130   4.1053  594.911   5.0124 6.218811 6.479056 
1 1 1   11    2    6 o  289.435   2.1683  624.600   9.3569  631.543   15.018  620.195   11.963  291.009   3.4613  288.400   2.7820 2.608795 4.440725 
1 1 1   11    2    7 o  246.375   2.0018  452.573   7.3535  474.954   10.749  432.885   10.082  252.376   2.8566  240.941   2.8064 11.43515 4.004537 
1 1 1   11    2    8 o  233.843   1.8996  407.710   6.6230  410.763   10.269  405.535   8.6663  234.694   2.9346  233.207   2.4924 1.487534 3.850231 
1 1 1   11    2    9 o  157.517   2.2089  185.015   5.1877  188.615   7.5377  181.775   7.1506  159.020   3.1792  156.113   3.0721 2.907242 4.420974 
1 1 1   11    2   10 o  212.570   1.9762  336.953   6.2633  330.673   9.5928  341.618   8.2691  210.538   3.0559  214.014   2.5915 -3.476776 4.006813 
1 1 1   11    2   11 o   94.543   2.7537   66.685   3.8816   70.357   6.8745   64.966   4.7030   97.038   4.7515   93.298   3.3809 3.739151 5.831574 
1 1 1   11    2   12 o  221.731   2.2079  366.750   7.2993  360.085   12.917  369.877   8.8474  219.555   3.9459  222.642   2.6653 -3.087357 4.761656 
1 1 1   11    2   13 f  155.575   2.1163  180.563   4.9089  180.719   8.0056  180.469   6.2143  155.550   3.4519  155.501   2.6803 0.4907227E-01 4.370306 
1 1 1   11    2   14 o   55.466   4.3846   23.163   3.5964   23.329   5.5944   23.046   4.6952   55.261   6.9432   55.122   5.7999 0.1387520 9.046978 
1 1 1   11    2   15 o  149.876   2.4692  167.690   5.5178  168.695   10.439  167.300   6.4999  150.059   4.6660  149.662   2.9129 0.3972473 5.500575 
1 1 1   11    2   16 o  148.229   2.8179  164.136   6.2277  158.955   10.852  166.680   7.6044  145.548   5.0009  149.301   3.4161 -3.752563 6.056277 
1 1 1   11    2   17 o  172.546   2.3920  222.388   6.1538  221.943   10.207  222.642   7.7131  172.071   3.9786  172.546   2.9982 -0.4749298 4.981813 
1 1 1   11    2   18 o  144.859   2.4791  156.936   5.3543  160.295   11.075  155.911   6.1166  145.650   5.1000  144.312   2.8427 1.337204 5.838758 
1 1 1   11    2   19 o   61.257   3.9105   28.442   3.5530   29.128   6.3246   28.125   4.2947   60.880   7.1011   60.667   4.7869 0.2132912 8.563908 
1 1 1   11    2   20 o   39.455   5.6643   12.273   3.2365   20.348   5.5504   8.1124   3.9839   50.015   7.6894   31.120   8.3936 18.89501 11.38326 
1 1 1   11    2   21 o   19.262   7.5136   2.2133   3.1155  -3.9471   4.6886   7.0839   4.1691   16.087   7.5751   28.610   8.8615 -12.52333 11.65796 
1 1 1   11    3    0 o   16.638   8.6995   2.9949   2.8326   2.9949   2.8326   2.9949   2.8326   16.638   8.6995   16.638   8.6995 0.000000 0.000000 
1 1 1   11    3    1 o  270.344   2.1986  544.926   8.8622  536.426   11.566  557.011   13.791  268.213   2.8923  273.298   3.3845 -5.085236 4.452007 
1 1 1   11    3    2 o  215.006   1.8273  344.654   5.8577  335.595   8.5070  352.822   8.0777  212.149   2.6895  217.530   2.4906 -5.380447 3.665542 
1 1 1   11    3    3 f  222.390   1.9528  368.738   6.4752  357.842   10.421  375.591   8.2642  219.060   3.1906  224.440   2.4696 -5.379913 4.034693 
1 1 1   11    3    4 o  265.126   1.8440  524.068   7.2892  517.117   10.196  531.334   10.425  263.350   2.5967  266.945   2.6193 -3.595062 3.688272 
1 1 1   11    3    5 o  302.002   2.1254  680.012   9.5700  682.794   15.039  678.119   12.406  302.591   3.3335  301.568   2.7591 1.022736 4.327229 
1 1 1   11    3    6 o  222.833   2.0607  370.218   6.8464  378.988   9.1612  359.125   10.304  225.446   2.7255  219.450   3.1491 5.996094 4.164702 
1 1 1   11    3    7 o  340.596   2.0042  864.931   10.178  870.031   15.684  861.221   13.376  341.566   3.0798  339.847   2.6399 1.718842 4.056399 
1 1 1   11    3    8 o  153.008   2.2035  174.567   5.0268  178.520   7.2184  170.846   7.0043  154.713   3.1293  151.352   3.1039 3.361298 4.407543 
1 1 1   11    3    9 o  163.867   2.2000  200.239   5.3751  204.194   7.7907  196.646   7.4254  165.452   3.1582  162.368   3.0673 3.083832 4.402523 
1 1 1   11    3   10 o  360.360   2.3249  968.515   12.491  961.221   17.611  975.899   17.720  358.920   3.2910  361.651   3.2862 -2.730469 4.650763 
1 1 1   11    3   11 o  110.303   2.3947   90.759   3.9382   90.832   6.2116   90.710   5.0926  110.295   3.7773  110.249   3.0981 0.4565430E-01 4.885256 
1 1 1   11    3   12 o   65.698   3.6503   32.336   3.5615   44.297   6.4816   27.163   4.2627   76.701   5.7086   60.076   4.7991 16.62523 7.457806 
1 1 1   11    3   13 o  172.457   2.1861  221.900   5.6212  213.077   8.6305  228.400   7.4080  168.894   3.4273  174.916   2.8405 -6.022034 4.451415 
1 1 1   11    3   14 o   67.114   3.9807   33.806   3.9655   39.269   6.9076   31.120   4.8431   71.980   6.5068   64.240   5.0984 7.739861 8.266276 
1 1 1   11    3   15 o   38.390   6.1217   11.352   3.3863   18.988   5.7639   7.3274   4.1846   49.475   8.0937   30.686   8.7300 18.78904 11.90471 
1 1 1   11    3   16 o   19.858   8.2633   0.7312   4.0462  -0.2683   7.3704   1.1624   4.8409   25.195   10.845   22.009   9.0883 3.186188 14.14945 
1 1 1   11    3   17 o   84.225   3.8338   53.177   4.8144   49.916   7.0990   55.954   6.5511   81.087   5.9126   86.060   5.1288 -4.973282 7.827114 
1 1 1   11    3   18 o   56.242   4.5970   24.021   3.8211   24.853   8.1293   23.785   4.3292   55.354   10.227   55.805   5.2654 -0.4503937 11.50251 
1 1 1   11    3   19 o   34.138   6.6034   9.3068   3.2396   4.5132   5.4709   11.895   4.0202   26.430   10.048   38.474   7.2748 -12.04315 12.40467 
1 1 1   11    3   20 o   46.684   4.8588   16.912   3.3324   18.272   5.2346   15.986   4.3211   47.234   7.6982   44.604   6.7049 2.629589 10.20869 
1 1 1   11    4    0 o  607.308   4.0961  2750.53   37.085  2750.53   37.085  2750.53   37.085  607.308   4.0961  607.308   4.0961 0.000000 0.000000 
1 1 1   11    4    1 o  509.434   2.7845  1935.14   21.150  1941.03   27.196  1926.13   33.643  510.171   3.5753  508.159   4.4404 2.011505 5.700908 
1 1 1   11    4    2 o  480.310   2.4365  1720.12   17.449  1727.81   24.720  1712.47   24.633  481.343   3.4445  479.201   3.4476 2.141846 4.873466 
1 1 1   11    4    3 o  435.090   2.5423  1411.49   16.492  1410.65   26.380  1412.02   21.131  434.898   4.0683  435.147   3.2569 -0.2483215 5.211369 
1 1 1   11    4    4 o  290.725   1.9209  630.159   8.3263  631.053   11.844  629.285   11.707  290.915   2.7307  290.508   2.7029 0.4071350 3.842173 
1 1 1   11    4    5 o   56.117   3.1590   23.558   2.6323   23.801   4.6596   23.444   3.1902   56.196   5.6372   55.933   3.8488 0.2629890 6.825765 
1 1 1   11    4    6 o  240.343   2.0858  430.693   7.4744  435.662   10.017  424.451   11.227  241.712   2.7795  238.573   3.1563 3.139206 4.205674 
1 1 1   11    4    7 o  270.678   1.8888  546.271   7.6228  544.573   11.793  547.489   9.9904  270.230   2.9270  270.966   2.4728 -0.7358398 3.831772 
1 1 1   11    4    8 f  333.555   2.1973  829.627   10.928  818.383   19.126  835.076   13.315  331.199   3.8732  334.629   2.6687 -3.429047 4.703555 
1 1 1   11    4    9 o  288.417   2.1277  620.322   9.1497  635.828   16.154  612.998   11.102  291.906   3.7116  286.687   2.5974 5.219055 4.530197 
1 1 1   11    4   10 o  258.743   2.1516  499.305   8.3006  504.011   11.916  494.869   11.570  259.901   3.0750  257.538   3.0130 2.363312 4.305085 
1 1 1   11    4   11 o   46.177   4.2604   16.066   2.9001   12.806   4.3901   18.590   3.8631   40.673   7.5163   49.571   5.3093 -8.898670 9.202353 
1 1 1   11    4   12 o  158.577   2.3358  187.620   5.5227  188.898   10.023  187.062   6.6181  158.968   4.2286  158.313   2.8038 0.6554565 5.073694 
1 1 1   11    4   13 o  276.475   2.1403  570.314   8.8227  608.277   14.191  546.396   11.264  285.359   3.3355  270.536   2.7926 14.82254 4.350135 
1 1 1   11    4   14 o   37.223   6.7063   10.741   3.5850   13.925   6.0012   8.9743   4.4703   41.970   9.7726   33.792   8.7895 8.178654 13.14375 
1 1 1   11    4   15 o   78.183   3.3122   45.692   3.8610   53.668   6.4281   41.191   4.8291   84.420   5.1313   74.028   4.3949 10.39247 6.756170 
1 1 1   11    4   17 o  179.609   2.6809  241.208   7.1793  242.873   10.467  239.729   9.8661  179.928   3.9016  178.816   3.7006 1.111847 5.377409 
1 1 1   11    4   18 o   58.056   4.3408   25.568   3.7303   30.544   8.0625   24.212   4.2077   61.876   9.0034   56.311   5.0659 5.565159 10.33074 
1 1 1   11    4   19 o   37.767   6.1136   11.277   3.3249   22.815   6.9277   7.8234   3.7900   52.572   9.1717   30.833   8.1286 21.73913 12.25540 
1 1 1   11    4   20 f   15.131   6.8588  -1.4610   3.3408 -17.8846   6.6073   4.1796   3.8722   14.116   7.0917   23.707   8.5547 -9.591234 11.11187 
1 1 1   11    5    1 o  397.578   2.7848  1178.64   16.507  1147.90   23.011  1211.24   23.694  392.315   3.9340  402.992   3.9434 -10.67786 5.570162 
1 1 1   11    5    2 o  426.107   2.2651  1353.77   14.391  1365.83   20.414  1341.84   20.290  427.971   3.1992  424.195   3.2081 3.775360 4.530602 
1 1 1   11    5    3 o  569.441   2.7719  2417.89   23.534  2386.42   32.792  2451.31   33.796  565.662   3.8882  573.296   3.9538 -7.634460 5.545293 
1 1 1   11    5    4 o  291.545   1.9010  633.722   8.2633  624.760   14.268  638.245   10.136  289.445   3.3061  292.576   2.3237 -3.130890 4.041018 
1 1 1   11    5    5 o  367.733   2.3390  1008.29   12.824  1004.13   16.738  1014.20   19.956  366.950   3.0593  368.762   3.6295 -1.811462 4.746853 
1 1 1   11    5    6 o  195.419   1.8041  284.725   5.2565  295.005   8.2802  277.786   6.8031  198.898   2.7922  193.014   2.3640 5.883926 3.658504 
1 1 1   11    5    7 o  314.871   2.1093  739.255   9.9025  746.424   14.228  732.521   13.790  316.359   3.0165  313.402   2.9512 2.957123 4.220067 
1 1 1   11    5    8 o  234.428   2.0689  409.800   7.2313  413.051   13.164  408.395   8.6539  235.287   3.7525  234.013   2.4803 1.274094 4.498123 
1 1 1   11    5    9 o  111.630   2.4879   92.943   4.1408   87.033   7.0535   96.051   5.1149  107.966   4.3817  113.467   3.0234 -5.501572 5.323602 
1 1 1   11    5   10 o  143.256   2.5156  153.093   5.3731  151.176   8.4874  154.375   6.9411  142.283   4.0008  143.823   3.2369 -1.539612 5.146278 
1 1 1   11    5   11 o  120.653   2.2629  108.596   4.0708  108.197   6.2641  108.888   5.3560  120.374   3.4902  120.785   2.9741 -0.4106979 4.585525 
1 1 1   11    5   12 o   51.961   4.3969   20.334   3.3744   12.602   4.8638   27.510   4.6855   40.153   8.3945   60.385   5.2567 -20.23238 9.904540 
1 1 1   11    5   13 o  231.760   2.1293  400.777   7.3579  411.836   11.523  393.165   9.5606  234.790   3.2917  229.474   2.7944 5.315781 4.317872 
1 1 1   11    5   14 o   69.546   4.0447   36.314   4.1759   37.983   6.1621   34.896   5.6787   70.859   5.8859   67.937   5.6577 2.921738 8.164147 
1 1 1   11    5   15 o  200.512   2.1555  300.086   6.4440  294.770   10.797  303.027   8.0315  198.505   3.6479  201.427   2.6743 -2.921738 4.523144 
1 1 1   11    5   16 o   38.872   7.4227   11.831   4.1451   9.5583   6.9543   13.083   5.1623   35.446   11.505   40.642   8.7760 -5.196743 14.46983 
1 1 1   11    5   17 o  132.424   2.7805  131.201   5.4898  137.160   8.7188  127.286   7.0664  135.054   4.3299  130.268   3.6382 4.786316 5.655533 
1 1 1   11    5   18 o   64.134   4.2188   31.188   4.0115   29.211   11.042   31.488   4.3058   58.180   13.050   64.365   4.5153 -6.185467 13.80947 
1 1 1   11    5   19 o   27.639   7.5784   6.2539   3.2164   6.8926   6.7804   6.0685   3.6537   30.300   11.256   27.291   8.2666 3.008760 13.96524 
1 1 1   11    5   20 o   25.572   7.8128   5.4296   3.2534   4.6361   6.4600   5.6993   3.7658   26.681   10.688   26.215   8.4618 0.4661636 13.63238 
1 1 1   11    6    0 o  251.775   3.6577  472.958   13.724  472.958   13.724  472.958   13.724  251.775   3.6577  251.775   3.6577 0.000000 0.000000 
1 1 1   11    6    1 o  239.178   2.5308  426.545   9.0250  433.356   12.921  420.057   12.612  241.056   3.5950  237.329   3.5641 3.726807 5.062278 
1 1 1   11    6    2 o  195.021   1.5778  283.556   4.5878  275.791   7.0767  289.185   6.0257  192.322   2.4679  196.943   2.0521 -4.620560 3.209620 
1 1 1   11    6    3 o  518.479   2.5736  2004.42   19.895  1988.66   34.156  2012.52   24.475  516.336   4.4368  519.499   3.1599 -3.162964 5.447000 
1 1 1   11    6    4 o  178.303   1.6923  237.029   4.4989  243.782   7.0912  232.481   5.8202  180.813   2.6304  176.578   2.2107 4.234680 3.436030 
1 1 1   11    6    5 o  351.629   2.3085  921.924   12.103  931.603   15.942  908.757   18.594  353.445   3.0252  349.061   3.5727 4.384186 4.681487 
1 1 1   11    6    6 o  178.646   2.0392  237.960   5.4317  244.529   7.5995  231.099   7.7663  181.080   2.8148  176.034   2.9590 5.045837 4.083963 
1 1 1   11    6    7 o  574.431   2.6586  2460.85   22.770  2478.45   35.119  2448.09   29.908  576.328   4.0869  572.858   3.5017 3.469910 5.381889 
1 1 1   11    6    8 o   65.950   3.5555   32.548   3.4832   28.346   6.5974   34.172   4.1014   61.104   7.3919   67.540   4.0922 -6.436142 8.448994 
1 1 1   11    6    9 o  265.733   1.9553  526.605   7.7469  545.990   12.259  513.717   9.9956  270.511   3.0395  262.427   2.5546 8.083374 3.970503 
1 1 1   11    6   10 o  195.148   2.1469  284.059   6.2466  282.581   8.8438  285.532   8.8243  194.584   3.0483  195.599   3.0258 -1.015030 4.295107 
1 1 1   11    6   11 o  120.865   2.4892  109.004   4.4858  102.745   6.3748  115.143   6.3134  117.283   3.6455  124.172   3.4101 -6.889397 4.991859 
1 1 1   11    6   12 o  211.632   2.0734  334.145   6.5423  330.540   10.190  336.674   8.5336  210.370   3.2487  212.375   2.6950 -2.005157 4.220995 
1 1 1   11    6   13 o  100.204   2.6809   74.969   4.0054   71.977   6.1930   77.120   5.2515   98.072   4.2353  101.580   3.4674 -3.507660 5.473664 
1 1 1   11    6   14 o   64.885   4.1589   31.647   4.0022   33.358   6.7242   30.708   4.9805   66.158   6.9193   63.747   5.2879 2.410110 8.708528 
1 1 1   11    6   15 o   80.244   3.8535   48.202   4.6104   63.369   6.8669   35.754   6.2209   91.738   5.0398   68.627   6.1449 23.11029 7.947229 
1 1 1   11    6   16 o   32.386   7.7456   8.3005   3.6898   5.7108   7.1778   9.2307   4.3016   30.689   11.545   34.090   8.4942 -3.400915 14.33322 
1 1 1   11    6   17 o   92.708   3.6322   64.518   5.0207   60.338   9.2339   66.273   5.9822   88.553   7.0522   93.835   4.2759 -5.281395 8.247218 
1 1 1   11    6   18 o   24.595   9.0271   4.0823   4.3382   8.9427   10.425   3.0645   4.7708   35.621   13.786   23.722   9.2855 11.89877 16.62167 
1 1 1   11    6   19 o   70.793   3.8446   38.138   4.0428   49.983   7.9763   34.043   4.6899   79.438   6.8000   66.510   4.7608 12.92760 8.300941 
1 1 1   11    6   20 o   45.976   5.2421   16.678   3.5291   14.967   6.5085   17.391   4.2002   40.296   10.666   46.458   6.2198 -6.162022 12.34708 
1 1 1   11    7    0 o  127.988   7.1210  123.340   13.493  123.340   13.493  123.340   13.493  127.988   7.1210  127.988   7.1210 0.000000 0.000000 
1 1 1   11    7    1 o  277.451   2.4188  573.970   10.006  541.851   22.621  581.782   11.157  269.470   5.6304  279.327   2.6789 -9.856628 6.235177 
1 1 1   11    7    2 o  471.899   2.2479  1660.38   15.816  1669.29   24.412  1653.93   20.764  473.112   3.4607  470.955   2.9570 2.157898 4.551959 
1 1 1   11    7    3 o  139.785   1.6978  145.683   3.5386  144.469   5.5327  146.523   4.6031  139.191   2.6660  140.183   2.2023 -0.9916534 3.457999 
1 1 1   11    7    4 o  251.501   2.0578  471.618   7.7162  492.031   13.772  462.278   9.3157  256.844   3.5964  248.988   2.5094 7.855270 4.385321 
1 1 1   11    7    5 o  336.915   2.1111  846.380   10.605  840.490   14.855  852.503   15.144  335.709   2.9677  338.098   3.0042 -2.389130 4.222886 
1 1 1   11    7    6 o  392.474   2.5039  1148.70   14.652  1158.21   18.911  1134.42   23.177  394.053   3.2187  389.928   3.9865 4.125092 5.123713 
1 1 1   11    7    7 o  267.981   1.8956  535.490   7.5739  526.248   11.526  542.515   10.048  265.615   2.9103  269.709   2.4987 -4.093933 3.835830 
1 1 1   11    7    8 o  132.384   2.2314  130.707   4.4043  131.450   7.6275  130.335   5.3945  132.704   3.8550  132.182   2.7372 0.5227051 4.727973 
1 1 1   11    7    9 o  281.724   2.1333  591.977   8.9609  595.049   15.781  590.515   10.886  282.307   3.7493  281.342   2.5952 0.9649658 4.559811 
1 1 1   11    7   10 o  104.036   2.3997   80.751   3.7223   82.198   5.8320   79.757   4.8353  104.905   3.7286  103.364   3.1375 1.541054 4.873020 
1 1 1   11    7   11 f   50.038   4.4075   18.869   3.2546   23.317   4.8822   15.310   4.3663   55.445   6.0018   44.658   6.7699 10.78661 9.047214 
1 1 1   11    7   12 o   85.355   2.8808   54.400   3.6661   54.390   5.8493   54.408   4.7049   85.113   4.6267   85.316   3.6987 -0.2024307 5.923409 
1 1 1   11    7   13 o  105.587   2.6529   83.247   4.1765   76.263   6.2804   88.784   5.5922  100.941   4.1730  108.982   3.4416 -8.040825 5.409080 
1 1 1   11    7   14 o  101.552   3.1298   77.077   4.7389   98.611   9.0808   69.018   5.5553  114.592   5.3150   96.031   3.8799 18.56044 6.580477 
1 1 1   11    7   15 o  122.386   2.9645  111.961   5.4095  110.012   9.8997  112.790   6.4591  120.924   5.4908  122.770   3.5287 -1.846054 6.526929 
1 1 1   11    7   16 o  131.550   3.1642  129.539   6.2062  108.897   14.816  133.932   6.8347  118.878   8.4136  133.714   3.4282 -14.83662 9.085243 
1 1 1   11    7   17 o   92.264   3.7222   63.995   5.1204   75.019   9.8628   59.927   5.9910   98.750   6.7389   88.994   4.5301 9.756409 8.120048 
1 1 1   11    7   18 o   53.129   5.1911   21.766   4.0595   16.869   7.3013   23.957   4.8840   44.262   11.087   55.463   6.0018 -11.20107 12.60748 
1 1 1   11    7   19 o   58.941   4.4363   26.725   3.8700   45.686   7.6782   20.267   4.4808   75.645   6.8831   50.594   6.0607 25.05154 9.171071 
1 1 1   11    7   20 o   19.335   7.5607   2.2646   3.1606  -1.0193   5.9572   3.5512   3.7287   20.414   9.2147   22.156   8.3239 -1.742477 12.41765 
1 1 1   11    8    0 o  387.259   4.1919  1118.72   24.197  1118.72   24.197  1118.72   24.197  387.259   4.1919  387.259   4.1919 0.000000 0.000000 
1 1 1   11    8    1 o  199.221   2.9087  295.970   8.6398  293.739   11.824  298.525   12.656  198.441   3.9962  200.044   4.2432 -1.602417 5.828747 
1 1 1   11    8    2 o  277.957   2.2350  576.075   9.2625  588.596   15.720  569.416   11.464  280.913   3.7532  276.331   2.7825 4.581268 4.672129 
1 1 1   11    8    3 o  212.339   1.9745  336.179   6.2510  337.388   11.705  335.697   7.3937  212.678   3.6912  212.180   2.3372 0.4982605 4.368885 
1 1 1   11    8    4 o  280.661   1.9922  587.329   8.3366  573.141   15.086  593.567   10.003  277.191   3.6503  282.136   2.3778 -4.945160 4.356501 
1 1 1   11    8    5 f  319.841   2.2591  762.828   10.773  774.069   14.104  747.081   16.692  322.159   2.9363  316.460   3.5377 5.698761 4.597534 
1 1 1   11    8    6 o  369.993   2.2441  1020.87   12.380  1022.80   17.335  1018.86   17.684  370.285   3.1400  369.567   3.2094 0.7183228 4.489975 
1 1 1   11    8    7 o   35.926   4.9027   9.8186   2.5576   10.887   3.9834   9.0691   3.3360   37.487   7.3897   34.221   6.7780 3.265793 10.02736 
1 1 1   11    8    8 f  106.463   2.3708   84.545   3.7632   97.938   6.6499   78.235   4.5644  114.530   3.8942  102.396   2.9897 12.13416 4.909533 
1 1 1   11    8    9 o   91.201   2.5432   62.058   3.4582   72.189   5.5616   55.672   4.4155   98.314   3.7941   86.352   3.4295 11.96225 5.114415 
1 1 1   11    8   10 o  104.087   2.8478   80.868   4.4196   78.990   10.399   81.282   4.8825  102.341   6.8545  104.339   3.1385 -1.998466 7.538891 
1 1 1   11    8   11 o   34.522   7.6267   9.3248   3.8208  -5.8623   8.2146   13.518   4.3162   22.885   10.517   41.812   7.1824 -18.92645 12.73567 
1 1 1   11    8   12 o   90.080   3.0124   60.611   4.0459   64.856   7.8548   59.078   4.7203   92.775   5.7061   88.899   3.5612 3.875839 6.726221 
1 1 1   11    8   13 o  193.503   2.8231  279.693   8.1449  265.865   16.638  284.051   9.3405  188.022   5.9352  194.948   3.2135 -6.926147 6.749282 
1 1 1   11    8   14 o   96.379   3.4982   69.484   5.0269   67.303   8.2993   70.748   6.3176   94.375   5.9283   97.160   4.3611 -2.785332 7.359559 
1 1 1   11    8   15 o   30.082   8.5123   7.0986   3.9896   7.6850   6.8089   6.7920   4.9232   32.804   11.388   30.024   9.6734 2.780365 14.94215 
1 1 1   11    8   16 o   66.097   4.6088   33.049   4.5135   35.550   8.2051   31.964   5.4047   67.503   8.3291   64.759   5.6543 2.743866 10.06703 
1 1 1   11    8   17 o  143.270   3.2100  154.144   6.8569  167.814   11.599  146.800   8.5015  148.593   5.2354  139.500   4.0874 9.092239 6.642009 
1 1 1   11    8   18 o   58.572   4.9027   26.408   4.2421   29.912   7.7826   24.927   5.0598   60.319   8.9229   56.405   6.1144 3.914291 10.81686 
1 1 1   11    8   19 o   55.967   5.1637   24.474   4.2602   23.225   7.2786   25.124   5.2543   51.618   9.8163   56.041   6.4033 -4.423248 11.72012 
1 1 1   11    9    0 o  262.761   5.5591  515.707   21.757  515.707   21.757  515.707   21.757  262.761   5.5591  262.761   5.5591 0.000000 0.000000 
1 1 1   11    9    1 o  372.855   2.7411  1036.72   15.238  1023.19   31.669  1040.80   17.383  370.208   5.7374  373.569   3.1210 -3.361359 6.531306 
1 1 1   11    9    2 o  231.460   2.6932  399.520   9.2944  388.889   18.499  403.110   10.750  228.244   5.4361  232.486   3.1012 -4.241745 6.258448 
1 1 1   11    9    3 o  331.949   2.4329  821.699   12.041  845.667   27.306  815.914   13.416  336.555   5.4417  330.766   2.7204 5.789124 6.083806 
1 1 1   11    9    4 f  517.016   2.8884  1993.68   22.266  2040.21   37.177  1967.65   27.804  522.801   4.7695  513.559   3.6311 9.242126 5.994415 
1 1 1   11    9    5 o   73.928   3.3594   40.774   3.7029   36.481   6.3670   42.968   4.5519   69.592   6.2013   75.770   4.0438 -6.178772 7.403266 
1 1 1   11    9    6 o  100.953   3.1611   76.037   4.7581   75.074   7.4373   76.705   6.1908  100.252   4.9757  101.368   4.0962 -1.115326 6.444817 
1 1 1   11    9    7 o   56.558   3.8737   23.994   3.2468   22.938   6.0602   24.419   3.8453   54.796   7.6243   56.992   4.5635 -2.196350 8.885718 
1 1 1   11    9    8 o   73.640   3.2937   40.480   3.6163   33.538   6.4501   43.663   4.3673   66.577   6.5842   76.365   3.8481 -9.788078 7.626234 
1 1 1   11    9    9 o   59.766   3.7730   26.791   3.3449   26.225   6.3636   27.006   3.9319   58.613   7.4501   59.939   4.4311 -1.325874 8.668210 
1 1 1   11    9   10 o  266.733   2.4308  530.931   9.6671  507.872   15.142  546.795   12.560  260.667   3.8962  270.600   3.1130 -9.932831 4.987076 
1 1 1   11    9   11 o  217.410   2.2191  352.723   7.1932  343.511   12.744  357.031   8.7141  214.312   3.9883  218.684   2.6726 -4.371445 4.800975 
1 1 1   11    9   12 o  155.483   2.4089  180.471   5.5844  182.271   10.326  179.726   6.6389  155.998   4.4398  155.117   2.8706 0.8813477 5.286933 
1 1 1   11    9   13 o   69.106   4.7745   35.988   4.8893   0.0000   0.0000   35.988   4.8893  ?   ?    69.106   4.7745 0.000000 4.774528 
1 1 1   11    9   14 o   50.271   5.1017   19.179   3.7709   10.376   6.7646   23.148   4.5420   36.542   11.283   55.185   5.5977 -18.64342 12.59505 
1 1 1   11    9   15 o   96.865   4.3345   70.459   6.2601   73.130   9.1476   68.107   8.5854   98.101   6.2871   94.708   6.1127 3.393494 8.768873 
1 1 1   11    9   16 o   74.989   4.0855   42.430   4.5507   39.123   8.2232   43.890   5.4635   70.833   7.9220   76.091   4.8410 -5.257416 9.284051 
1 1 1   11    9   17 o   66.427   6.0983   34.183   5.9724   0.0000   0.0000   34.183   5.9724  ?   ?    66.427   6.0983 0.000000 6.098253 
1 1 1   11    9   18 o   51.931   5.7669   21.153   4.3897   23.835   7.4355   19.718   5.4387   52.909   9.7861   49.218   7.6606 3.690979 12.42788 
1 1 1   11    9   19 o   53.531   4.7117   22.326   3.7222   41.702   6.9914   14.662   4.3973   71.922   6.5932   42.028   7.2812 29.89421 9.822744 
1 1 1   11   10    0 o   27.174   14.819   7.7589   8.5227   7.7589   8.5227   7.7589   8.5227   27.174   14.819   27.174   14.819 0.000000 0.000000 
1 1 1   11   10    1 o  332.526   2.8774  824.689   14.266  811.183   19.834  839.167   20.535  329.720   4.0344  335.353   4.1069 -5.633484 5.757021 
1 1 1   11   10    2 o  146.150   2.4047  159.289   5.2401  156.978   9.5369  160.289   6.2716  145.029   4.4105  146.598   2.8693 -1.569244 5.261697 
1 1 1   11   10    3 o  318.232   2.0451  755.165   9.7033  773.175   18.566  748.397   11.381  321.894   3.8685  316.786   2.4097 5.107819 4.557614 
1 1 1   11   10    4 o  295.258   2.0367  650.089   8.9659  680.318   17.261  638.918   10.493  301.931   3.8342  292.693   2.4044 9.237823 4.525735 
1 1 1   11   10    5 o   88.634   3.0178   58.609   3.9880   60.058   7.2079   57.970   4.7876   89.483   5.4282   88.134   3.6434 1.348984 6.537536 
1 1 1   11   10    6 o  399.617   2.3301  1191.14   13.883  1190.54   24.862  1191.41   16.736  399.279   4.1762  399.614   2.8089 -0.3354187 5.032984 
1 1 1   11   10    7 o  130.337   2.6068  126.746   5.0658   0.0000   0.0000  126.746   5.0658  ?   ?   130.337   2.6068 0.000000 2.606787 
1 1 1   11   10    8 o  304.746   2.1692  692.806   9.8563  700.742   17.840  689.320   11.825  306.254   3.9070  303.933   2.6094 2.321350 4.698303 
1 1 1   11   10    9 f  101.530   2.6268   76.937   3.9764   70.597   7.2466   79.669   4.7565   96.978   5.0290  103.294   3.0884 -6.315598 5.901620 
1 1 1   11   10   10 o   90.145   3.1353   60.696   4.2140   67.273   7.2639   57.360   5.1736   94.609   5.1691   87.583   3.9619 7.026154 6.512744 
1 1 1   11   10   11 o   51.534   4.4607   20.036   3.3937   35.116   6.6894   14.809   3.9381   67.968   6.6876   43.960   6.1790 24.00853 9.105136 
1 1 1   11   10   12 f   27.314   7.7914   5.7899   3.3286   4.0547   6.0966   6.5268   3.9730   27.555   10.575   29.070   8.5779 -1.514647 13.61666 
1 1 1   11   10   13 o   14.929   6.7940  -2.0305   3.3194   2.6772   6.0838  -4.0261   3.9610   25.892   10.372   14.968   7.0212 10.92323 12.52527 
1 1 1   11   10   14 o   94.398   3.3455   66.684   4.7086   68.005   8.4045   66.080   5.6845   94.752   5.9798   93.885   4.0609 0.8668060 7.228350 
1 1 1   11   10   15 o   27.370   8.7582   5.6900   4.0409   3.1636   7.1295   6.8857   4.9049   27.695   11.181   30.014   9.6538 -2.318485 14.77209 
1 1 1   11   10   16 o   70.255   4.1840   37.346   4.3628   41.039   8.0707   35.821   5.1858   72.490   7.5794   68.552   5.1104 3.938004 9.141328 
1 1 1   11   10   17 o   42.863   8.0938   14.985   4.9830   15.591   10.640   14.815   5.6397   41.643   14.247   42.120   9.2350 -0.4771080 16.97850 
1 1 1   11   10   18 f   51.492   5.5661   20.838   4.2053   26.995   6.6229   16.679   5.4435   57.254   7.9750   44.515   8.5118 12.73833 11.66411 
1 1 1   11   10   19 o   33.426   7.3392   9.4890   3.5575   9.6704   6.2722   9.4030   4.3195   32.164   10.939   32.565   8.7217 -0.4006996 13.99029 
1 1 1   11   11    0 o  207.765   4.2356  322.377   13.108  322.377   13.108  322.377   13.108  207.765   4.2356  207.765   4.2356 0.000000 0.000000 
1 1 1   11   11    1 o  242.256   2.8586  437.764   10.325  432.690   14.390  443.150   14.824  240.781   4.0083  243.669   4.0804 -2.888077 5.719802 
1 1 1   11   11    2 o  325.836   2.3559  791.807   11.445  810.049   19.604  782.374   14.097  329.441   3.9912  323.854   2.9195 5.587372 4.944956 
1 1 1   11   11    3 o  262.543   1.9348  514.011   7.5737  533.743   15.149  507.436   8.7451  267.418   3.7994  260.844   2.2486 6.574219 4.414933 
1 1 1   11   11    4 o  200.434   1.9279  299.592   5.7614  304.403   11.626  298.026   6.6331  201.934   3.8615  199.898   2.2256 2.035614 4.456939 
1 1 1   11   11    5 o  149.169   2.3680  165.978   5.2666  168.666   9.1643  164.653   6.4354  150.284   4.0899  148.550   2.9056 1.734055 5.016972 
1 1 1   11   11    6 o  195.642   2.1572  285.506   6.2924  284.946   15.450  285.617   6.8897  195.168   5.3095  195.669   2.3616 -0.5014801 5.811028 
1 1 1   11   11    7 o  123.360   2.2668  113.530   4.1693  117.584   7.9433  111.988   4.8983  125.426   4.2476  122.501   2.6818 2.924866 5.023366 
1 1 1   11   11    8 o  202.384   2.0972  305.570   6.3284  304.127   11.561  306.188   7.5619  201.730   3.8438  202.556   2.5039 -0.8261719 4.587373 
1 1 1   11   11    9 o  106.591   2.7929   84.826   4.4386   82.997   7.6323   85.761   5.4561  105.275   4.8625  107.137   3.4157 -1.861290 5.942240 
1 1 1   11   11   10 o   53.657   4.0829   21.666   3.2419   32.646   6.3147   17.737   3.7777   65.547   6.5491   48.337   5.3305 17.21014 8.444160 
1 1 1   11   11   11 o  202.138   2.2657  305.004   6.8283  297.786   12.346  308.186   8.1959  199.423   4.1523  203.133   2.7061 -3.709427 4.956244 
1 1 1   11   11   12 o  241.721   2.4928  436.354   8.9840  455.619   21.686  432.363   9.8709  245.993   5.9127  240.566   2.7520 5.426956 6.521777 
1 1 1   11   11   13 o   79.528   3.6793   47.353   4.3626   48.699   8.2970   46.838   5.1289   79.902   7.0364   78.905   4.3767 0.9965515 8.286530 
1 1 1   11   11   14 o   96.161   3.6071   69.288   5.1717  100.249   9.5190   56.322   6.1602  115.268   5.5387   86.398   4.8010 28.86993 7.329874 
1 1 1   11   11   15 o  127.244   2.8991  121.251   5.5001  116.152   9.7276  123.648   6.6684  123.897   5.2659  128.366   3.4842 -4.469643 6.314219 
1 1 1   11   11   16 o   32.128   8.1106   8.4005   3.8856   14.828   7.1054   5.6586   4.6410   41.797   11.183   27.405   9.4085 14.39236 14.61409 
1 1 1   11   11   17 o   53.039   5.5059   21.930   4.2906   20.144   7.4448   22.818   5.2502   48.114   10.659   53.560   6.7227 -5.445667 12.60163 
1 1 1   11   11   18 o   60.065   5.7216   28.545   5.0621   29.922   7.2672   27.246   7.0554   59.625   8.4080   56.705   8.6161 2.919930 12.03873 
1 1 1   11   12    0 o  178.917   4.3698  239.245   11.641  239.245   11.641  239.245   11.641  178.917   4.3698  178.917   4.3698 0.000000 0.000000 
1 1 1   11   12    1 o   57.810   6.2766   25.295   5.3230   22.241   7.2985   28.766   7.7803   53.625   9.4750   61.297   8.7625 -7.671974 12.90569 
1 1 1   11   12    2 o  133.261   2.2702  132.453   4.5107  119.063   8.5788  137.570   5.3028  126.251   4.5574  135.799   2.6190 -9.548874 5.256389 
1 1 1   11   12    3 o  275.237   1.9604  564.971   8.0447  554.153   15.704  568.821   9.3672  272.432   3.8661  276.154   2.2750 -3.721893 4.485785 
1 1 1   11   12    4 f  187.323   1.9238  261.704   5.3731  260.785   10.819  262.004   6.1905  186.871   3.8832  187.418   2.2153 -0.5467682 4.470661 
1 1 1   11   12    5 o  126.297   2.7050  119.026   5.0937  110.268   11.609  121.115   5.6685  121.120   6.4519  127.387   2.9845 -6.266922 7.108731 
1 1 1   11   12    6 o  132.596   2.3229  131.176   4.5922  125.026   11.408  132.365   5.0167  129.163   5.9238  133.186   2.5263 -4.022415 6.440007 
1 1 1   11   12    7 o  134.004   2.2326  133.982   4.4607  128.720   8.5020  135.981   5.2399  131.191   4.3466  134.980   2.6037 -3.788620 5.066709 
1 1 1   11   12    8 o  215.466   2.1111  346.395   6.7819  354.417   12.554  343.089   8.0590  217.726   3.8674  214.396   2.5211 3.329987 4.616555 
1 1 1   11   12    9 o   94.160   2.8347   66.213   3.9796   54.075   7.2103   71.530   4.7723   84.670   5.7456   97.839   3.2715 -13.16946 6.611678 
1 1 1   11   12   10 o  213.615   2.2359  340.604   7.1213  339.498   13.059  341.072   8.4957  212.948   4.1130  213.705   2.6663 -0.7561646 4.901639 
1 1 1   11   12   11 o   28.796   7.4659   6.5122   3.2321   13.271   6.1274   3.9067   3.8045   40.817   10.119   24.121   8.5037 16.69629 13.21764 
1 1 1   11   12   12 o  158.618   2.6913  187.984   6.3649  203.458   16.457  185.262   6.9020  164.053   6.7281  157.431   2.9404 6.621292 7.342595 
1 1 1   11   12   13 o   87.641   3.9558   57.585   5.1691   52.945   8.3791   60.436   6.5678   83.315   6.8047   89.511   4.9404 -6.196205 8.408990 
1 1 1   11   12   14 o   40.665   6.9126   12.929   4.0411   11.387   7.5471   13.549   4.7849   37.842   11.954   41.353   8.0501 -3.511307 14.41215 
1 1 1   11   12   15 o   57.622   5.0375   25.346   4.2844   27.029   7.8845   24.641   5.1036   57.917   9.4571   56.483   6.1600 1.433598 11.28636 
1 1 1   11   12   16 o   86.994   3.8825   57.253   5.0358   47.702   11.953   59.314   5.5526   75.153   10.992   88.432   4.2113 -13.27930 11.77129 
1 1 1   11   12   17 o  105.695   3.1996   84.471   5.0422   74.898   8.9789   88.881   6.0938   97.479   6.2102  108.118   3.7803 -10.63861 7.270306 
1 1 1   11   12   18 o   49.275   5.7865   19.457   4.1703   25.536   6.8748   15.918   5.2456   54.277   8.7962   42.839   8.5126 11.43797 12.24085 
1 1 1   11   13    0 o   88.031   6.8490   58.947   8.8643   58.947   8.8643   58.947   8.8643   88.031   6.8490   88.031   6.8490 0.000000 0.000000 
1 1 1   11   13    1 o   50.480   7.3452   19.510   5.3662   21.063   7.1154   17.463   8.1715   52.087   9.5129   47.105   11.690 4.981346 15.07157 
1 1 1   11   13    2 f  112.870   2.4278   95.042   4.0856   87.039   8.2611   97.634   4.7008  107.877   5.1362  114.387   2.7563 -6.509384 5.829005 
1 1 1   11   13    3 o  287.446   2.5790  616.504   11.053  593.295   22.694  623.721   12.655  281.563   5.4059  289.086   2.9361 -7.522919 6.151773 
1 1 1   11   13    4 o  159.059   1.9347  188.710   4.5883  174.534   9.4488  193.084   5.2486  152.820   4.1469  160.880   2.1881 -8.060425 4.688829 
1 1 1   11   13    5 o   93.155   3.1341   64.795   4.3530   60.458   10.468   65.702   4.7864   89.259   7.9489   93.791   3.4228 -4.531250 8.654539 
1 1 1   11   13    6 o   29.462   6.3761   6.7671   2.7195   6.8582   5.9178   6.7427   3.0620   31.190   10.625   29.362   7.0773 1.827097 12.76656 
1 1 1   11   13    7 o  180.179   2.1005  242.230   5.6428  238.885   10.538  243.574   6.6814  178.731   3.9544  180.647   2.4806 -1.915451 4.668098 
1 1 1   11   13    8 o   83.382   2.9369   51.930   3.6511   47.140   6.8705   53.815   4.3101   79.003   5.8748   84.853   3.4068 -5.850937 6.791177 
1 1 1   11   13    9 o   74.015   3.5836   40.972   3.9546   42.629   7.2499   40.270   4.7184   74.936   6.5548   73.196   4.3430 1.740089 7.863037 
1 1 1   11   13   10 o  131.222   2.5216  128.599   4.9334  143.951   9.1913  122.386   5.8471  138.570   4.4487  127.958   3.0648 10.61224 5.402255 
1 1 1   11   13   11 o   81.654   3.3784   49.881   4.1130   40.134   7.9343   53.463   4.8096   72.385   7.4585   84.493   3.8179 -12.10756 8.378887 
1 1 1   11   13   12 o  107.780   3.2465   86.917   5.2170   68.132   12.521   90.863   5.7389   93.875   9.0585  110.168   3.4938 -16.29261 9.708900 
1 1 1   11   13   13 f   48.422   7.0758   18.199   4.9576   36.200   7.6868   5.3782   6.4872   68.443   7.6642   29.401   10.992 39.04137 13.40039 
1 1 1   11   13   14 o   67.337   4.6723   34.380   4.6619   39.792   8.0577   31.657   5.7156   71.503   7.6784   64.237   6.0386 7.266235 9.768419 
1 1 1   11   13   15 o  124.403   2.8619  116.145   5.3083  130.712   9.9469  110.344   6.2768  131.034   5.0913  121.065   3.4774 9.968941 6.165532 
1 1 1   11   13   16 o   28.719   8.2790   6.8380   3.7396   12.975   7.2421   4.6065   4.3668   38.172   11.655   25.075   9.0791 13.09647 14.77423 
1 1 1   11   13   17 o   21.510   8.3454   2.9315   3.8276   0.4179   6.3577   4.3606   4.7936   22.420   9.8539   24.665   9.3982 -2.244305 13.61713 
1 1 1   11   13   18 o   46.084   6.2404   17.424   4.1775   19.284   6.6059   16.184   5.3928   45.482   10.013   42.577   8.7865 2.905609 13.32121 
1 1 1   11   14    0 o   69.205   12.800   39.458   11.878   39.458   11.878   39.458   11.878   69.205   12.800   69.205   12.800 0.000000 0.000000 
1 1 1   11   14    1 o  306.056   4.1308  700.096   18.850  688.910   26.254  711.997   27.081  303.223   5.8072  308.239   5.8925 -5.015869 8.273159 
1 1 1   11   14    2 f  206.943   2.4407  319.555   7.5307  302.664   12.431  329.348   9.4653  201.224   4.1433  210.038   3.0225 -8.814224 5.128584 
1 1 1   11   14    3 o  306.538   2.0599  700.990   9.4145  687.225   17.934  706.226   11.061  303.226   3.9668  307.641   2.4115 -4.414703 4.642257 
1 1 1   11   14    4 o   70.195   2.5656   36.776   2.6851   38.929   7.4402   36.453   2.8792   71.610   7.0604   69.880   2.7634 1.729729 7.581879 
1 1 1   11   14    5 o  142.411   2.6796  151.398   5.6897  144.950   13.095  152.899   6.3171  138.910   6.3229  143.093   2.9609 -4.182999 6.981843 
1 1 1   11   14    6 o   81.969   2.7551   50.168   3.3672   46.947   6.6540   51.277   3.9039   78.888   5.6955   82.849   3.1604 -3.961479 6.513575 
1 1 1   11   14    7 o   37.480   5.4107   10.756   2.9360   7.5471   6.0367   11.751   3.3602   32.188   10.732   39.108   5.9504 -6.919510 12.27140 
1 1 1   11   14    8 o   75.194   3.2212   42.265   3.6114   41.727   7.0375   42.457   4.2076   74.150   6.4292   75.330   3.7463 -1.179451 7.441065 
1 1 1   11   14    9 o  141.518   2.4243  149.555   5.1153  155.822   9.4609  146.966   6.0807  144.173   4.4013  140.236   2.9082 3.937057 5.275292 
1 1 1   11   14   10 o  170.014   2.5563  215.928   6.4800  228.442   15.314  213.199   7.1517  174.095   5.8999  168.896   2.8400 5.199600 6.547862 
1 1 1   11   14   11 o   85.529   3.3333   54.743   4.2507   58.102   8.0644   53.450   5.0020   87.490   6.2228   84.446   3.9728 3.043694 7.382808 
1 1 1   11   14   12 o   94.829   3.2628   67.325   4.6132   59.953   8.4351   70.471   5.5103   88.726   6.4197   96.944   3.8123 -8.217789 7.466289 
1 1 1   11   14   13 o  132.859   3.1590  132.266   6.2576  126.349   10.175  135.865   7.9357  129.263   5.2796  134.459   3.9584 -5.196503 6.598726 
1 1 1   11   14   14 o   26.850   9.5440   5.1384   4.8017   18.942   7.0224  -6.9818   6.5803   47.923   10.144   18.693   8.8539 29.23092 13.46465 
1 1 1   11   14   15 o   44.034   6.4618   15.349   4.1162   4.4887   9.5015   17.858   4.5671   30.442   12.665   47.487   6.6314 -17.04503 14.29587 
1 1 1   11   14   16 o   55.466   5.2556   24.035   4.2945   14.674   10.610   25.869   4.6964   38.970   14.145   57.409   5.5562 -18.43852 15.19751 
1 1 1   11   14   17 o   36.989   7.7003   11.680   4.1087   6.7825   6.6467   14.708   5.2269   28.593   11.024   40.863   8.8363 -12.26987 14.12851 
1 1 1   11   15    0 o   63.678   8.8900   32.113   7.9695   32.113   7.9695   32.113   7.9695   63.678   8.8900   63.678   8.8900 0.000000 0.000000 
1 1 1   11   15    1 o  128.478   3.7739  123.380   7.2292  133.754   10.214  112.965   10.234  133.622   5.1266  122.743   5.5920 10.87907 7.586324 
1 1 1   11   15    2 o   28.713   5.9941   6.4168   2.4832   13.253   7.1167   5.4691   2.6498   41.021   11.283   26.465   6.7068 14.55599 13.12593 
1 1 1   11   15    3 o   25.919   7.1995   5.2088   2.8817   13.051   9.7035   4.4503   3.0178   41.666   13.593   24.341   7.5393 17.32495 15.54385 
1 1 1   11   15    4 o   55.749   3.1382   23.291   2.5979   22.328   10.175   23.358   2.6869   52.781   13.012   55.820   3.2424 -3.039539 13.40972 
1 1 1   11   15    5 o   40.942   5.4776   12.800   3.2599   10.184   6.3690   13.729   3.7947   36.265   10.899   42.294   6.2020 -6.028732 12.53968 
1 1 1   11   15    6 o  130.111   2.2412  126.358   4.3477  120.352   8.4748  128.504   5.0650  126.746   4.4846  131.184   2.5896 -4.437622 5.178596 
1 1 1   11   15    7 o   85.563   2.8258   54.696   3.6049   50.877   6.9354   56.109   4.2197   82.058   5.7041   86.631   3.2669 -4.572701 6.573441 
1 1 1   11   15    8 o   58.332   4.1815   25.627   3.6126   24.998   6.6232   25.894   4.3102   56.833   8.0406   58.511   4.9885 -1.677330 9.462301 
1 1 1   11   15    9 o   68.757   4.3246   35.594   4.4107   34.307   7.2337   36.356   5.5649   66.864   7.3789   69.297   5.4295 -2.432564 9.161173 
1 1 1   11   15   10 o  110.036   3.2418   90.595   5.3186   89.266   8.7894   91.363   6.6805  108.870   5.4148  110.387   4.0590 -1.516937 6.767221 
1 1 1   11   15   11 o   87.145   3.6752   56.916   4.7753   61.259   12.131   56.120   5.1947   88.709   9.3109   86.487   4.0284 2.221184 10.14501 
1 1 1   11   15   12 o   87.938   3.6684   58.025   4.8098   56.229   8.0944   59.005   5.9800   85.786   6.3740   88.410   4.5521 -2.623878 7.832588 
1 1 1   11   15   13 o   96.233   4.6357   69.988   6.6514   0.0000   0.0000   69.988   6.6514  ?   ?    96.233   4.6357 0.000000 4.635683 
1 1 1   11   15   14 o   35.773   7.3461   10.325   3.7870   14.056   7.1196   8.8533   4.4721   40.447   11.345   32.745   8.9187 7.702587 14.43130 
1 1 1   11   15   15 o   19.495   7.9588   1.5546   3.6594   7.8756   6.9267  -0.8926   4.3099   31.232   11.415   17.996   8.0013 13.23648 13.94015 
1 1 1   11   15   16 o   24.672   8.9782   4.7322   4.2782   6.8490   8.6094   4.0381   4.9299   30.121   12.242   24.264   9.4552 5.857172 15.46828 
1 1 1   11   15   17 o   56.347   5.0424   25.220   4.1915   13.254   6.2115   35.225   5.6795   36.767   10.691   65.998   5.8318 -29.23080 12.17774 
1 1 1   11   16    0 o  167.993   7.0034  212.418   17.472  212.418   17.472  212.418   17.472  167.993   7.0034  167.993   7.0034 0.000000 0.000000 
1 1 1   11   16    1 o   77.641   7.4959   45.905   8.5694   47.523   11.108   43.527   13.468   78.469   9.7012   74.183   12.629 4.285858 15.92486 
1 1 1   11   16    2 o  117.910   5.8252  104.444   10.241  105.197   13.185  103.300   16.258  117.798   7.5470  116.174   9.4685 1.623947 12.10823 
1 1 1   11   16    3 o  114.893   2.8544   98.597   4.8897   93.138   8.8131  101.025   5.8772  111.404   5.3059  116.253   3.3908 -4.849045 6.296829 
1 1 1   11   16    4 o   26.741   5.6785   5.5752   2.1941   14.413   6.9621   4.6006   2.3119   42.544   10.920   24.276   6.3241 18.26819 12.61940 
1 1 1   11   16    5 o   77.782   4.9193   45.571   5.6756   47.490   7.1041   42.186   9.4367   79.201   6.0620   73.999   8.7206 5.202492 10.62060 
1 1 1   11   16    6 o   41.344   5.8779   13.119   3.5213   14.989   6.2517   12.250   4.2616   43.407   9.8815   39.592   7.4936 3.814869 12.40158 
1 1 1   11   16    7 o  153.738   2.4306  176.525   5.5713  161.346   9.7185  183.955   6.7996  146.662   4.4444  156.878   2.9070 -10.21539 5.310665 
1 1 1   11   16    8 o   97.336   3.3356   70.895   4.8408   72.374   8.0807   70.067   6.0456   97.868   5.5608   96.661   4.1949 1.206856 6.965567 
1 1 1   11   16    9 o  133.148   2.8986  132.565   5.7544  122.230   9.1779  139.258   7.3865  127.510   4.8276  136.350   3.6334 -8.839882 6.042122 
1 1 1   11   16   10 o  140.752   3.0089  148.222   6.3144  154.025   10.623  145.051   7.8521  143.034   4.9812  139.092   3.7863 3.941559 6.256863 
1 1 1   11   16   11 o  154.969   3.0813  179.836   7.1194  169.091   16.249  182.389   7.9201  148.730   7.3274  155.988   3.4054 -7.258041 8.080065 
1 1 1   11   16   12 o   88.108   3.4304   58.283   4.5064   53.448   8.2702   60.324   5.3743   83.299   6.7159   89.518   4.0266 -6.218887 7.830559 
1 1 1   11   16   13 o   67.291   4.8325   34.565   4.8162   32.687   7.7384   35.753   6.1531   64.001   8.3054   67.965   6.1383 -3.964417 10.32755 
1 1 1   11   16   14 o   83.219   4.4522   52.952   5.5041   54.744   11.613   52.433   6.2507   80.896   9.8303   82.484   5.1078 -1.588364 11.07807 
1 1 1   11   16   15 o   42.479   6.0871   14.472   3.7450   13.381   6.9053   14.926   4.4575   37.961   11.335   42.536   7.2909 -4.574631 13.47708 
1 1 1   11   16   16 o   61.434   4.8743   29.684   4.4281   39.167   7.5911   24.793   5.4517   68.232   7.5905   54.776   6.8233 13.45618 10.20645 
1 1 1   11   17    0 o  155.397   4.9134  181.025   11.358  181.025   11.358  181.025   11.358  155.397   4.9134  155.397   4.9134 0.000000 0.000000 
1 1 1   11   17    1 o   76.990   5.5753   44.780   6.3566   42.655   8.7550   47.150   9.2441   74.608   7.9951   78.475   8.0131 -3.867241 11.31948 
1 1 1   11   17    2 o   74.517   5.3116   41.918   5.8628   43.797   7.5601   39.085   9.2858   75.891   6.7519   71.115   8.9563 4.775818 11.21622 
1 1 1   11   17    3 o   86.322   3.1180   55.703   4.0131   51.593   7.7900   57.187   4.6821   82.481   6.3843   87.426   3.5920 -4.945549 7.325382 
1 1 1   11   17    4 o   61.033   2.8038   27.834   2.5515   32.526   7.3398   27.189   2.7212   65.051   7.7182   60.233   3.0399 4.817924 8.295279 
1 1 1   11   17    5 o   85.329   3.0533   54.439   3.8845   58.145   7.3066   52.979   4.5863   87.706   5.6170   84.124   3.6566 3.582283 6.702343 
1 1 1   11   17    6 o  184.007   2.1563  252.805   5.9159  269.127   11.553  247.003   6.8874  189.472   4.0894  181.828   2.5405 7.643509 4.814339 
1 1 1   11   17    7 o  133.847   2.5497  133.864   5.0883  123.809   9.5497  137.851   6.0129  128.301   4.9921  135.769   2.9704 -7.467926 5.809018 
1 1 1   11   17    8 o  120.485   2.6035  108.497   4.6769  102.950   8.9295  110.594   5.4903  116.936   5.1216  121.589   3.0285 -4.653229 5.950036 
1 1 1   11   17    9 o  151.237   2.8589  171.086   6.4466  183.791   10.947  164.342   7.9764  156.307   4.6973  148.078   3.6128 8.229126 5.925963 
1 1 1   11   17   10 o   67.847   3.9457   34.685   3.9741   30.699   7.9356   36.020   4.5914   62.501   8.7560   69.039   4.4848 -6.537167 9.837713 
1 1 1   11   17   11 o   55.789   4.8232   23.689   3.9725   27.173   7.7243   22.436   4.6320   58.339   9.1840   54.022   5.8440 4.317341 10.88567 
1 1 1   11   17   12 f   78.586   3.6988   46.526   4.3339   38.624   8.1675   49.623   5.1132   69.897   7.9803   80.917   4.2531 -11.02002 9.042889 
1 1 1   11   17   13 o   33.974   9.2588   9.7120   4.8181   12.189   7.1487   7.6500   6.5221   37.409   11.607   31.146   11.118 6.262766 16.07212 
1 1 1   11   17   14 o   40.727   6.2871   13.330   3.6948   15.303   6.6350   12.443   4.4483   41.209   10.703   38.504   8.0095 2.705280 13.36813 
1 1 1   11   17   15 o   52.590   5.0888   21.816   3.9402   18.643   7.0194   23.275   4.7611   44.638   10.688   53.747   6.0462 -9.109035 12.27993 
1 1 1   11   17   16 o   39.164   6.7857   13.003   3.8188   10.199   6.7189   14.341   4.6414   31.685   11.287   40.259   8.0143 -8.573763 13.84271 
1 1 1   11   18    0 o   19.747   12.589   0.8885   8.1974   0.8885   8.1974   0.8885   8.1974   19.747   12.589   19.747   12.589 0.000000 0.000000 
1 1 1   11   18    1 o  155.251   3.5871  180.415   8.3033  168.154   11.067  196.206   12.559  149.605   4.9614  161.538   5.2147 -11.93202 7.197837 
1 1 1   11   18    2 f  108.024   4.2967   87.511   6.9203   90.093   8.8799   83.518   11.044  109.409   5.4436  104.761   7.1127 4.647865 8.956727 
1 1 1   11   18    3 o   75.189   3.6919   42.337   4.1388   43.144   7.8422   42.025   4.8726   75.132   7.0844   74.715   4.3934 0.4168320 8.336164 
1 1 1   11   18    4 f   46.326   3.0775   16.122   2.1135   8.9407   7.0699   16.826   2.2148   34.638   11.615   47.323   3.1572 -12.68434 12.03603 
1 1 1   11   18    5 o  143.566   2.5942  154.031   5.5530  142.738   9.8434  159.302   6.7254  137.798   4.7911  145.928   3.0911 -8.129532 5.701667 
1 1 1   11   18    6 f   60.806   3.8189   27.824   3.4447   32.869   9.9327   27.134   3.6726   64.245   10.749   59.996   4.1308 4.248383 11.51566 
1 1 1   11   18    7 o  112.198   2.6351   94.106   4.4081   94.733   8.9185   93.903   5.0708  112.090   5.3365  112.026   3.0359 0.6398010E-01 6.139607 
1 1 1   11   18    8 o   40.983   5.9808   12.969   3.5469   12.733   7.3224   13.042   4.0543   39.715   11.624   40.880   6.8973 -1.164745 13.51666 
1 1 1   11   18    9 o   19.027   8.2228  -0.2883   4.2717   7.0437   7.3326  -4.0548   5.2556   32.136   11.745   17.944   8.3055 14.19235 14.38497 
1 1 1   11   18   10 o  102.657   3.2531   79.059   4.9792   72.117   13.173   80.217   5.3782   95.493   9.3731  103.356   3.4900 -7.862617 10.00176 
1 1 1   11   18   11 o   87.357   3.4240   57.397   4.4596   61.478   8.6755   55.932   5.1992   89.139   6.5740   86.083   4.0508 3.055984 7.721857 
1 1 1   11   18   12 o   10.987   5.4665  -8.5219   3.5187  -8.7011   6.9500  -8.4601   4.0802   18.262   8.7723   12.416   6.1250 5.846236 10.69900 
1 1 1   11   18   13 o   18.678   7.7936   1.0603   3.6133  -0.4482   6.8498   1.6419   4.2531   22.727   10.097   20.589   8.5118 2.137186 13.20593 
1 1 1   11   18   14 o   72.828   3.8544   40.720   4.1704   32.335   7.7255   44.169   4.9543   61.403   8.6805   75.517   4.4193 -14.11442 9.740720 
1 1 1   11   18   15 o   15.768   7.1611  -1.2040   3.6636  -7.4858   9.4414  -0.0905   3.9751   21.088   10.154   17.504   7.7380 3.584585 12.76634 
1 1 1   11   19    0 o   17.902   12.052  -3.6752   9.2196  -3.6752   9.2196  -3.6752   9.2196   17.902   12.052   17.902   12.052 0.000000 0.000000 
1 1 1   11   19    1 o  145.896   3.9217  159.591   8.5308  166.648   11.708  151.605   12.455  148.744   5.2795  141.692   5.8956 7.051849 7.913949 
1 1 1   11   19    2 o   60.796   7.2596   28.474   6.4503   33.939   8.5035   21.069   9.8987   65.964   8.8711   50.623   13.036 15.34042 15.76810 
1 1 1   11   19    3 o   31.970   8.2371   8.1108   3.9507   12.858   7.7743   6.4580   4.5871   40.089   12.040   29.175   9.3308 10.91450 15.23203 
1 1 1   11   19    4 f  132.329   1.9535  130.741   3.8543  114.484   12.855  132.347   4.0402  122.517   7.0675  133.131   2.0354 -10.61375 7.354712 
1 1 1   11   19    5 o   36.795   6.3127   10.533   3.3384   8.1925   7.0179   11.218   3.7954   33.480   11.565   37.846   6.9834 -4.366436 13.51008 
1 1 1   11   19    6 o   65.666   3.4234   32.395   3.3401   32.467   7.1817   32.375   3.7730   64.788   7.5778   65.575   3.8762 -0.7871170 8.511611 
1 1 1   11   19    7 o   55.170   4.2910   23.020   3.5019   29.224   7.2384   21.124   4.0014   61.188   8.1359   52.662   5.1625 8.525925 9.635590 
1 1 1   11   19    8 f   20.374   7.8228   2.2300   3.3371   8.5928   7.3517   0.5787   3.7452   33.975   11.831   18.841   7.9034 15.13446 14.22828 
1 1 1   11   19    9 o   58.346   5.4141   26.052   4.6562   26.281   7.2612   25.892   6.0680   57.456   8.7528   57.596   7.2252 -0.1399269 11.34967 
1 1 1   11   19   10 o  142.862   2.6196  152.961   5.5799  150.319   10.623  153.967   6.5573  140.604   5.0674  143.189   3.0715 -2.584412 5.925562 
1 1 1   11   19   11 o   67.144   4.0656   34.289   4.0509   25.652   7.9831   37.284   4.7011   55.278   10.057   69.858   4.5381 -14.58039 11.03305 
1 1 1   11   19   12 o   79.982   3.8184   48.633   4.5535   33.702   10.813   51.852   5.0204   60.594   12.386   82.471   4.0828 -21.87702 13.04185 
1 1 1   11   19   13 o   56.411   4.4577   24.697   3.7187   26.603   6.9214   23.924   4.4092   55.784   8.5979   54.988   5.4498 0.7964096 10.17956 
1 1 1   11   19   14 o   17.968   7.6403   0.9380   3.5781   1.3037   6.2015   0.7555   4.3808   22.259   9.7588   19.164   8.3045 3.095137 12.81403 
1 1 1   11   19   15 o   17.474   7.6587   0.4377   3.8173  -9.7143   8.6249   2.9109   4.2570   18.747   9.1788   21.024   8.5838 -2.277733 12.56709 
1 1 1   11   20    0 o   33.526   18.107   12.724   12.611   12.724   12.611   12.724   12.611   33.526   18.107   33.526   18.107 0.000000 0.000000 
1 1 1   11   20    1 o   49.060   11.909   19.732   8.6231   23.825   11.356   14.158   13.253   53.344   14.074   43.665   15.816 9.678875 21.17084 
1 1 1   11   20    2 o   49.080   11.887   19.755   8.6068   25.680   11.893   13.241   12.471   55.273   14.317   42.388   15.344 12.88503 20.98567 
1 1 1   11   20    3 o   76.981   6.3126   45.238   7.1817   52.255   9.1883   34.219   11.513   82.370   7.5662   64.701   12.386 17.66949 14.51423 
1 1 1   11   20    4 o   42.011   3.3997   13.311   2.1112   7.3934   7.3722   13.840   2.2035   32.679   11.802   42.830   3.4807 -10.15113 12.30461 
1 1 1   11   20    5 o   64.415   4.1185   31.306   3.9348   34.021   7.9288   30.420   4.5322   66.037   8.2316   63.348   4.8350 2.688885 9.546540 
1 1 1   11   20    6 o   28.390   7.2453   6.4031   3.0770   1.7264   7.3668   7.3914   3.3866   26.548   11.107   30.461   7.5055 -3.912807 13.40524 
1 1 1   11   20    7 o   53.226   4.5784   21.527   3.5980   24.632   7.8062   20.690   4.0544   55.260   9.8350   52.004   5.3032 3.256096 11.17367 
1 1 1   11   20    8 o  125.514   3.0712  118.191   5.7473   0.0000   0.0000  118.191   5.7473  ?   ?   125.514   3.0712 0.000000 3.071154 
1 1 1   11   20    9 o  108.179   4.0712   88.429   6.5664   88.741   13.640   88.335   7.4917  105.544   8.7466  107.898   4.6569 -2.353546 9.909081 
1 1 1   11   20   10 o   43.519   5.6985   14.816   3.6087   13.125   7.5938   15.309   4.1014   38.701   11.955   43.972   6.4475 -5.271023 13.58289 
1 1 1   11   20   11 o   77.150   3.7887   45.243   4.3581   37.466   10.468   46.874   4.7933   65.048   11.197   78.291   4.1209 -13.24301 11.93140 
1 1 1   11   20   12 o   15.048   6.9145  -1.9554   3.5488   3.5783   6.4685  -4.3382   4.2446   25.271   10.476   14.849   7.0560 10.42187 12.63090 
1 1 1   11   20   13 o   29.800   7.7615   7.7736   3.4828  -4.1133   6.4981   12.564   4.1253   18.928   8.9147   38.254   7.5010 -19.32535 11.65059 
1 1 1   11   20   14 o   19.825   7.7884   2.7258   3.3669  -1.3868   6.3692   4.3208   3.9664   19.906   9.1889   22.842   8.5844 -2.936083 12.57489 
1 1 1   11   21    0 o   32.105   16.244   11.854   9.6692   11.854   9.6692   11.854   9.6692   32.105   16.244   32.105   16.244 0.000000 0.000000 
1 1 1   11   21    1 o   67.118   7.4597   34.887   7.3388   32.267   9.9884   37.961   10.818   63.175   11.004   68.671   10.933 -5.495907 15.51177 
1 1 1   11   21    2 o   89.459   5.3905   60.736   7.1563   55.223   9.1617   69.364   11.461   84.646   7.3318   94.560   8.2108 -9.913635 11.00784 
1 1 1   11   21    3 o   76.141   6.1838   44.345   6.9595   50.029   8.8765   35.275   11.212   80.446   7.4865   65.616   11.899 14.83064 14.05809 
1 1 1   11   21    4 o   43.481   3.2202   14.250   2.0728  -0.3617   8.1389   15.264   2.1435   25.917   11.275   45.010   3.2152 -19.09260 11.72458 
1 1 1   11   21    5 o   74.605   3.7140   41.830   4.1313   46.116   8.2071   40.375   4.7812   77.173   7.2165   73.048   4.4106 4.125595 8.457599 
1 1 1   11   21    6 o   95.479   2.8833   68.330   4.1046   62.823   8.3363   70.092   4.7159   90.463   6.2184   96.627   3.2734 -6.163376 7.027348 
1 1 1   11   21    7 o  102.574   2.8237   78.908   4.3185   81.036   9.0720   78.285   4.9106  102.739   5.9478  102.075   3.2266 0.6642838 6.766651 
1 1 1   11   21    8 o   20.370   7.7296   2.4711   3.2341   7.6737   7.0614   1.0902   3.6380   31.839   11.543   19.055   7.8745 12.78359 13.97282 
1 1 1   11   21    9 o   48.612   5.4461   18.400   3.8795   16.804   10.579   18.649   4.1700   42.493   14.208   48.786   5.8494 -6.293007 15.36464 
1 1 1   11   21   10 o   29.037   8.0409   7.0913   3.6003   15.760   9.4325   5.6130   3.8952   40.416   13.412   26.219   8.6151 14.19742 15.94096 
1 1 1   11   21   11 o   51.395   4.6825   20.622   3.5488   17.994   6.7927   21.608   4.1619   44.244   10.462   52.226   5.4240 -7.981701 11.78418 
1 1 1   11   21   12 o   50.170   4.8760   19.924   3.6013   16.200   6.8476   21.347   4.2341   40.547   11.033   51.479   5.6072 -10.93135 12.37597 
1 1 1   11   21   13 o   22.125   8.0925   4.0520   3.4821   8.3694   6.2149   2.0766   4.2039   28.967   10.773   20.008   8.3822 8.958668 13.64993 
1 1 1   11   22    0 o   38.234   16.612   16.311   9.8001   16.311   9.8001   16.311   9.8001   38.234   16.612   38.234   16.612 0.000000 0.000000 
1 1 1   11   22    1 o   74.307   6.9914   42.715   7.6547   57.794   10.580   26.150   11.089   85.895   8.3672   55.239   13.564 30.65682 15.93681 
1 1 1   11   22    2 f   66.976   7.2315   34.884   7.1068   34.874   9.0843   34.898   11.410   66.012   9.5038   64.638   12.288 1.374855 15.53453 
1 1 1   11   22    3 o  176.647   3.6793  234.672   9.6904  235.678   12.755  233.299   14.903  176.459   4.8480  175.056   5.7099 1.402908 7.490413 
1 1 1   11   22    4 o   36.610   3.5830   10.175   1.9307   10.380   7.7053   10.161   1.9943   36.008   12.125   36.562   3.7099 -0.5535851 12.67985 
1 1 1   11   22    5 o   72.020   3.8652   39.221   4.1352   42.259   8.0353   38.126   4.8229   73.412   7.4441   70.799   4.5937 2.612411 8.747429 
1 1 1   11   22    6 o   84.237   3.7005   53.531   4.6477   63.131   8.3816   49.268   5.5849   90.298   6.2644   80.402   4.6791 9.895126 7.818946 
1 1 1   11   22    7 o   23.193   7.8818   4.0506   3.2563   2.7099   7.2108   4.3941   3.6496   26.414   11.015   24.200   8.3413 2.213938 13.81666 
1 1 1   11   22    8 o   26.934   8.1261   5.9580   3.5357   17.731   11.405   4.7062   3.7189   42.811   14.746   24.643   8.4229 18.16860 16.98196 
1 1 1   11   22    9 o   44.886   5.5840   15.944   3.6562   26.418   9.2253   13.993   3.9823   53.289   11.911   41.513   6.6590 11.77522 13.64576 
1 1 1   11   22   10 o   89.345   3.1672   60.653   4.2190   70.913   8.3847   57.175   4.8821   94.179   6.0025   86.394   3.7901 7.785637 7.098929 
1 1 1   11   22   11 o   24.088   7.9686   4.9702   3.3304   18.286   6.8110   0.7861   3.8180   43.456   10.605   18.182   7.8155 25.27389 13.17406 
1 1 1   11   22   12 o   27.164   8.3322   6.8069   3.6961   8.2471   7.2038   6.2922   4.3061   28.711   11.356   26.062   9.0561 2.648970 14.52510 
1 1 1   11   22   13 o   32.397   7.4924   9.6427   3.5469   3.3238   6.8703   11.939   4.1416   23.019   10.175   35.720   7.9779 -12.70117 12.92948 
1 1 1   11   23    0 o   26.116   14.965   7.2508   9.2366   7.2508   9.2366   7.2508   9.2366   26.116   14.965   26.116   14.965 0.000000 0.000000 
1 1 1   11   23    1 o   79.288   6.3078   48.622   7.3951   58.950   10.281   37.550   10.645   86.395   8.0754   67.180   11.009 19.21480 13.65296 
1 1 1   11   23    2 o   61.830   7.7673   30.302   7.0024   25.285   9.1819   37.276   10.826   54.457   11.660   66.655   11.297 -12.19818 16.23494 
1 1 1   11   23    3 o   66.595   6.7862   34.691   6.6439   39.541   8.5598   27.342   10.537   70.344   8.3227   55.751   12.928 14.59298 15.37539 
1 1 1   11   23    4 o   20.481   5.3863   3.3282   1.6667   13.371   7.6768   2.8313   1.7075   39.278   12.002   19.039   5.6250 20.23885 13.25436 
1 1 1   11   23    5 f   46.446   4.2833   16.522   2.9328   12.976   7.6076   17.141   3.1785   38.476   11.979   47.230   4.5709 -8.753662 12.82165 
1 1 1   11   23    6 f   34.437   5.6035   9.3827   2.7782   3.0865   4.4717   13.341   3.5454   22.960   8.9890   41.058   5.9662 -18.09786 10.78878 
1 1 1   11   23    7 o   13.962   6.4234  -1.9381   3.0758  -0.4418   6.8670  -2.3136   3.4402   22.707   10.098   14.581   6.7386 8.125920 12.13973 
1 1 1   11   23    8 o   22.531   7.5302   4.0625   2.9717   1.8822   4.8847   5.3437   3.7444   21.589   9.0395   25.396   8.4516 -3.806465 12.37509 
1 1 1   11   23    9 o   83.752   3.1912   53.403   3.9849   59.000   7.7029   51.358   4.6564   85.558   6.0780   81.766   3.8195 3.791985 7.178455 
1 1 1   11   23   10 o   42.096   5.4555   14.368   3.3435   15.406   6.8251   14.039   3.8352   38.874   11.178   40.947   6.4992 -2.072105 12.93035 
1 1 1   11   23   11 o   33.363   7.8552   10.120   3.8428   11.224   6.7641   9.5944   4.6695   32.058   11.335   31.326   9.3133 0.7319279 14.67029 
1 1 1   11   23   12 o   35.691   6.8529   11.336   3.5142   17.382   6.9007   9.2196   4.0833   38.934   11.253   30.604   8.5949 8.329893 14.15983 
1 1 1   11   24    0 o   25.247   14.778   6.6674   9.3098   6.6674   9.3098   6.6674   9.3098   25.247   14.778   25.247   14.778 0.000000 0.000000 
1 1 1   11   24    1 o   72.425   6.3659   41.105   6.8044   42.411   9.1342   39.477   10.199   72.133   8.6666   68.396   10.323 3.737526 13.47857 
1 1 1   11   24    2 o   31.857   10.928   8.3654   6.2610   9.8980   8.3643   6.4124   9.4423   34.565   12.558   31.743   12.849 2.821995 17.96646 
1 1 1   11   24    3 o   19.057   8.8662  -4.1748   6.1073  -5.7492   8.0786  -2.0747   9.3302   21.445   10.049   25.266   11.457 -3.821262 15.23950 
1 1 1   11   24    4 o   23.218   4.7555   4.2793   1.5908   0.8763   7.6383   4.4336   1.6265   24.920   10.880   23.636   4.7797 1.284050 11.88385 
1 1 1   11   24    5 f   82.996   2.4905   51.826   3.0819   51.664   5.5507   51.899   3.7055   81.870   4.5654   82.883   2.9985 -1.013184 5.462093 
1 1 1   11   24    6 o   65.444   2.8723   32.381   2.8026   37.479   5.6126   30.688   3.2348   68.947   5.5057   63.433   3.4330 5.513630 6.488329 
1 1 1   11   24    7 o   11.687   5.8276  -9.6851   4.0926  -5.2983   10.478 -10.4748   4.4457   23.626   11.185   12.158   6.0645 11.46729 12.72358 
1 1 1   11   24    8 o   20.657   7.2548   3.3842   2.7670   6.5067   4.4199   1.3716   3.5484   26.970   9.1827   18.431   7.7097 8.538816 11.99008 
1 1 1   11   24    9 o   18.995   7.3101   2.5251   2.9183   6.2551   5.0381   0.6417   3.5801   26.216   9.7096   17.376   7.5185 8.840176 12.28021 
1 1 1   11   24   10 o   40.896   6.1409   14.171   3.6287   13.591   6.9249   14.390   4.2605   34.570   11.493   40.194   7.3812 -5.623909 13.65919 
1 1 1   11   24   11 o   24.623   8.3927   5.9110   3.6922  -0.4726   6.7225   8.6685   4.4183   19.944   9.2864   28.938   9.1472 -8.994534 13.03487 
1 1 1   11   25    0 o   59.666   11.975   31.162   9.4470   31.162   9.4470   31.162   9.4470   59.666   11.975   59.666   11.975 0.000000 0.000000 
1 1 1   11   25    1 o   33.673   10.977   10.224   6.3279   6.7040   8.7494   14.085   9.1631   30.450   12.354   38.103   13.212 -7.652676 18.08797 
1 1 1   11   25    2 o   22.656   9.7387   1.3648   5.9283   1.6447   7.9354   1.0113   8.9183   25.389   11.087   25.999   11.537 -0.6101513 16.00095 
1 1 1   11   25    3 o   33.897   11.695   10.722   7.1752   19.102   12.988   7.0404   8.6080   41.322   15.533   30.272   12.263 11.05019 19.79058 
1 1 1   11   25    4 o   22.801   10.893  -7.4278   10.398   0.0000   0.0000  -7.4278   10.398  ?   ?    22.801   10.893 0.000000 10.89280 
1 1 1   11   25    5 o   29.147   4.8226   6.7914   2.0225   3.5391   4.0706   7.8575   2.3305   22.337   8.6230   31.247   5.1841 -8.909983 10.06134 
1 1 1   11   25    6 o   13.875   6.0410  -0.0310   2.3400  -2.1692   5.0717   0.5473   2.6376   17.728   8.1890   15.456   6.5655 2.271874 10.49597 
1 1 1   11   25    7 o   25.246   8.3448   5.7089   3.6526   2.4877   4.7810   10.225   5.6610   21.293   8.9309   31.959   10.380 -10.66567 13.69347 
1 1 1   11   25    8 o   32.604   6.1559   9.0422   2.8828   8.9549   4.5531   9.1007   3.7244   30.244   9.2430   31.474   7.9377 -1.230862 12.18359 
1 1 1   11   25    9 o   20.045   7.3132   3.3689   2.8412   3.5108   4.3645   3.2645   3.7428   21.378   8.7057   20.547   8.1671 0.8313675 11.93693 
1 1 1   11   25   10 o   23.646   8.1718   5.4733   3.5040   4.1494   6.5923   5.9945   4.1367   22.747   10.015   24.319   8.8318 -1.572681 13.35277 
1 1 1   11   26    0 o   15.037   10.606  -9.0597   9.4856  -9.0597   9.4856  -9.0597   9.4856   15.037   10.606   15.037   10.606 0.000000 0.000000 
1 1 1   11   26    1 o   25.537   10.601   4.3752   6.6373   11.863   8.9570  -4.7428   9.8844   33.744   12.849   22.876   10.840 10.86844 16.81116 
1 1 1   11   26    2 o   18.437   8.5295  -2.3288   5.5326  -3.7721   7.6095  -0.7103   8.0583   20.609   9.6876   22.900   10.484 -2.291283 14.27477 
1 1 1   11   26    3 o   34.208   10.115   11.347   5.5198   16.660   7.8042   6.0283   7.8080   39.538   12.104   27.492   11.463 12.04639 16.67036 
1 1 1   11   26    4 o   21.873   9.7539   0.9478   6.4543   1.2039   7.5897   0.2788   12.268   23.247   10.456   26.319   12.349 -3.071537 16.18073 
1 1 1   11   26    5 o   81.879   2.1900   50.666   2.6736   55.513   5.8969   49.411   2.9996   83.522   4.7550   80.698   2.4930 2.824097 5.368917 
1 1 1   11   26    6 o   18.932   6.4634   2.9505   2.1898   2.8993   4.2950   2.9685   2.5455   20.866   8.5823   19.232   6.9367 1.633957 11.03509 
1 1 1   11   26    7 o   25.086   8.0591   5.9453   3.4190   7.3431   4.4959   4.0282   5.2652   27.010   9.2609   22.636   9.4233 4.373922 13.21226 
1 1 1   11   26    8 o   42.548   4.6110   14.775   2.8783   14.920   4.5458   14.679   3.7187   39.620   7.9714   40.975   6.2877 -1.355553 10.15272 
1 1 1   11   27    0 o   14.295   9.8742  -3.9314   7.0995  -3.9314   7.0995  -3.9314   7.0995   14.295   9.8742   14.295   9.8742 0.000000 0.000000 
1 1 1   11   27    1 o   21.585   9.2747   2.4936   5.3730   4.7718   7.4438   0.0157   7.7633   25.181   10.869   22.077   10.175 3.103846 14.88795 
1 1 1   11   27    2 o   20.343   9.3289  -0.3608   6.4160   4.4821   7.4102 -14.8640   12.824   24.802   10.774   21.043   10.464 3.759443 15.01943 
1 1 1   11   27    3 o   19.283   9.0449  -2.1407   6.5721  -8.2106   7.6709   14.611   12.743   17.824   8.7119   31.874   13.981 -14.04983 16.47331 
1 1 1   11   27    4 f   24.100   10.203   4.8715   6.3338   11.659   12.267   2.4039   7.3960   29.653   13.319   22.765   10.272 6.887709 16.81985 
1 1 1   11   27    5 o   9.7385   4.6722  -2.3771   1.9580 -19.3352   6.7174  -0.8025   2.0469   13.076   6.6361   11.699   5.3285 1.376624 8.510626 
1 1 1   11   27    6 o   38.101   4.0758   11.676   2.2794   8.8806   4.5027   12.639   2.6432   28.840   9.2468   39.276   4.6008 -10.43657 10.32816 
1 1 1   11   27    7 f   25.814   7.1869   6.4027   2.8680  -0.4126   4.4819   11.129   3.7323   16.785   7.7341   33.959   7.5651 -17.17381 10.81886 
1 1 1   11   28    0 o   18.854   12.925  -1.8206   11.640  -1.8206   11.640  -1.8206   11.640   18.854   12.925   18.854   12.925 0.000000 0.000000 
1 1 1   11   28    1 o   22.577   10.538   2.0232   8.7391   0.0813   12.988   3.6296   11.813   23.691   11.526   24.524   11.687 -0.8336697 16.41395 
1 1 1   11   28    2 f   19.690   9.1460   0.0686   6.4570   4.1335   11.997  -1.5889   7.6612   24.567   11.726   19.867   9.4517 4.700087 15.06129 
1 1 1   11   28    3 o   27.474   10.752   9.3402   6.3962   0.6277   11.565   13.179   7.6771   22.853   11.061   30.638   11.838 -7.784927 16.20135 
1 1 1   11   28    4 o   19.790   8.7441   2.3654   5.0695   4.0470   6.8302   0.3028   7.5647   22.183   9.9526   20.289   9.5748 1.893364 13.81051 
1 1 1   11   28    5 o   45.548   3.0889   16.279   2.0853   15.760   4.3297   16.436   2.3795   40.409   7.4612   45.416   3.5420 -5.007027 8.259238 
1 1 1   11   29    0 o   23.730   13.090   8.4771   6.7355   8.4771   6.7355   8.4771   6.7355   23.730   13.090   23.730   13.090 0.000000 0.000000 
1 1 1   11   29    1 o   19.253   8.6511   2.4181   5.1810   0.9774   7.0605   4.0990   7.6262   19.504   9.2181   21.494   9.9685 -1.990677 13.57736 
1 1 1   12    1    0 o  191.964   4.0382  275.142   11.546  275.142   11.546  275.142   11.546  191.964   4.0382  191.964   4.0382 0.000000 0.000000 
1 1 1   12    1    1 o  233.758   2.1400  407.411   7.4586  380.877   13.473  419.136   8.9561  225.979   3.9988  237.091   2.5336 -11.11223 4.733891 
1 1 1   12    1    2 o   77.214   2.2506   44.453   2.5910   47.167   3.5313   41.287   3.8134   79.532   2.9780   74.406   3.4374 5.126038 4.547973 
1 1 1   12    1    3 o  193.683   1.8902  279.683   5.4585  279.714   6.8750  279.630   8.9780  193.688   2.3807  193.648   3.1096 0.3993225E-01 3.916244 
1 1 1   12    1    4 o  249.582   2.0143  464.426   7.4955  447.684   9.3040  495.385   12.652  245.034   2.5467  257.743   3.2923 -12.70834 4.162321 
1 1 1   12    1    5 o  447.346   2.3743  1492.09   15.836  1515.22   22.678  1470.08   22.125  450.763   3.3743  444.000   3.3422 6.763153 4.749276 
1 1 1   12    1    6 o  226.901   2.2777  383.868   7.7054  397.268   11.438  372.734   10.426  230.807   3.3238  223.571   3.1278 7.236160 4.564093 
1 1 1   12    1    7 f  171.028   2.0961  218.092   5.3449  216.593   7.5624  219.587   7.5554  170.426   2.9761  171.601   2.9530 -1.174286 4.192577 
1 1 1   12    1    8 o  102.775   2.5847   78.767   3.9607   70.875   5.6473   86.406   5.5563   97.474   3.8858  107.632   3.4624 -10.15811 5.204618 
1 1 1   12    1    9 o  132.395   2.3398  130.712   4.6186  127.462   6.6594  133.725   6.4112  130.715   3.4170  133.893   3.2115 -3.178070 4.689289 
1 1 1   12    1   10 o  199.912   1.9895  298.025   5.9300  293.470   9.1963  301.267   7.7585  198.333   3.1099  200.974   2.5892 -2.640991 4.046656 
1 1 1   12    1   11 o  138.208   2.7930  142.518   5.7555   0.0000   0.0000  142.518   5.7555  ?   ?   138.208   2.7930 0.000000 2.793034 
1 1 1   12    1   12 o  157.210   2.0106  184.349   4.7129  171.129   7.7495  192.108   5.9369  151.389   3.4333  160.462   2.4815 -9.072495 4.236207 
1 1 1   12    1   13 o  160.804   2.3889  192.951   5.7275  185.077   8.0357  201.081   8.1655  157.411   3.4239  164.083   3.3377 -6.672974 4.781570 
1 1 1   12    1   14 o   78.185   3.3120   45.672   3.8609   44.820   7.0136   46.042   4.6246   77.004   6.1604   78.364   3.9711 -1.360321 7.329376 
1 1 1   12    1   15 o  181.703   2.2991  246.432   6.2286  254.863   12.057  243.363   7.2744  184.487   4.3834  180.526   2.7026 3.961136 5.149604 
1 1 1   12    1   16 o  138.744   2.6968  143.787   5.5788  149.097   8.6169  139.955   7.3200  141.102   4.0959  136.779   3.5894 4.322708 5.446091 
1 1 1   12    1   17 o  136.734   2.7560  139.766   5.6185  134.570   8.7876  143.358   7.3072  133.881   4.4023  138.355   3.5423 -4.474152 5.650503 
1 1 1   12    1   18 o   62.691   4.1106   29.697   3.8209   14.881   7.7687   34.425   4.3884   42.372   11.839   67.456   4.3872 -25.08423 12.62620 
1 1 1   12    1   19 o   39.326   5.7069   12.083   3.2484   16.433   6.0477   10.318   3.8512   44.538   9.4025   35.737   7.4684 8.801285 12.00765 
1 1 1   12    1   20 o   65.417   3.6372   32.537   3.5335   37.815   6.1927   29.989   4.3027   69.391   6.0460   62.405   4.6579 6.986065 7.632135 
1 1 1   12    2    0 f  118.832   2.6583  105.439   4.7045  105.439   4.7045  105.439   4.7045  118.832   2.6583  118.832   2.6583 0.000000 0.000000 
1 1 1   12    2    1 o  376.711   2.1113  1058.07   11.859  1045.39   16.368  1072.07   17.205  374.426   2.9320  379.169   3.0433 -4.743713 4.225885 
1 1 1   12    2    2 o  526.984   3.2182  2070.93   25.286  2055.13   35.619  2086.97   35.902  524.894   4.5514  528.944   4.5524 -4.050171 6.437357 
1 1 1   12    2    3 o  113.129   1.8981   95.419   3.2016   98.378   4.4075   92.113   4.6584  114.865   2.5736  111.146   2.8111 3.719879 3.811244 
1 1 1   12    2    4 o  200.518   1.7895  299.769   5.3501  299.484   7.5622  300.054   7.5700  200.414   2.5308  200.605   2.5310 -0.1907043 3.579190 
1 1 1   12    2    5 o  334.258   2.2721  833.048   11.323  840.276   14.590  822.098   17.957  335.689   2.9150  332.015   3.6275 3.673431 4.653618 
1 1 1   12    2    6 f  342.342   2.3025  873.848   11.752  894.536   15.796  848.200   17.588  346.349   3.0589  337.243   3.4979 9.105225 4.646764 
1 1 1   12    2    7 o  407.405   2.3361  1237.61   14.190  1275.90   20.672  1203.49   19.513  413.615   3.3521  401.712   3.2580 11.90292 4.674477 
1 1 1   12    2    8 o  175.538   2.1320  229.761   5.5798  223.046   7.8474  236.628   7.9354  172.934   3.0435  178.123   2.9880 -5.188828 4.265107 
1 1 1   12    2    9 o   97.571   2.8991   71.009   4.2175   76.501   6.6233   67.264   5.4697  101.238   4.3880   94.943   3.8640 6.294754 5.846750 
1 1 1   12    2   10 o  157.887   2.0438  185.905   4.8112  187.597   7.4421  184.689   6.3062  158.564   3.1479  157.348   2.6880 1.215195 4.139421 
1 1 1   12    2   11 o  170.305   2.0420  216.324   5.1849  210.568   8.0434  220.415   6.7821  167.964   3.2119  171.879   2.6465 -3.915649 4.161709 
1 1 1   12    2   12 o  119.486   2.5280  106.531   4.5036  106.769   8.2723  106.431   5.3691  119.489   4.6434  119.407   3.0158 0.8206940E-01 5.536759 
1 1 1   12    2   13 o  161.396   2.1967  194.354   5.2860  194.065   8.1751  194.561   6.9295  161.180   3.4018  161.433   2.8790 -0.2523499 4.456556 
1 1 1   12    2   14 o  150.182   2.5351  168.370   5.6764  159.965   9.5371  172.982   7.0639  146.189   4.3755  152.172   3.1134 -5.982971 5.370162 
1 1 1   12    2   15 f  107.565   2.8858   86.428   4.6282   91.746   8.8522   84.428   5.4294  110.552   5.3705  106.270   3.4267 4.283043 6.370586 
1 1 1   12    2   16 f  234.693   2.3359  411.263   8.1738  424.534   15.685  406.316   9.5769  237.970   4.4208  233.206   2.7543 4.764130 5.208658 
1 1 1   12    2   17 o   72.817   4.0121   39.899   4.3391   38.918   6.6665   40.621   5.7154   71.421   6.3258   73.231   5.2699 -1.809227 8.233291 
1 1 1   12    2   18 o   86.831   3.2096   56.560   4.1552   52.704   8.3768   57.818   4.7855   82.647   6.8600   87.710   3.6594 -5.062813 7.774947 
1 1 1   12    2   19 o   39.653   5.7436   12.315   3.2968   9.1110   5.9227   13.753   3.9685   33.154   10.602   41.643   6.6128 -8.488758 12.49561 
1 1 1   12    2   20 o   40.438   5.6583   12.933   3.3181   11.983   5.0969   13.632   4.3712   37.312   9.2161   40.725   7.4746 -3.412228 11.86614 
1 1 1   12    3    0 o  456.273   4.1646  1552.74   28.326  1552.74   28.326  1552.74   28.326  456.273   4.1646  456.273   4.1646 0.000000 0.000000 
1 1 1   12    3    1 o  265.942   2.2335  527.322   8.8562  532.398   10.161  511.280   18.063  267.213   2.5505  261.804   4.6274 5.409424 5.283777 
1 1 1   12    3    2 o  268.775   1.8381  538.592   7.3659  532.384   10.171  545.440   10.682  267.210   2.5529  270.464   2.6489 -3.254547 3.678864 
1 1 1   12    3    3 o  182.500   1.8691  248.319   5.0859  245.529   7.4878  250.708   6.9298  181.461   2.7676  183.368   2.5347 -1.907043 3.752873 
1 1 1   12    3    4 f  636.072   3.0270  3016.96   28.707  3012.27   40.540  3021.67   40.655  635.492   4.2786  636.482   4.2841 -0.9899902 6.054773 
1 1 1   12    3    5 o  431.294   4.0615  1387.42   26.117  1387.42   26.117   0.0000   0.0000  431.294   4.0615  ?   ?  0.000000 4.061472 
1 1 1   12    3    6 o  261.009   1.9854  507.938   7.7262  512.237   11.071  503.855   10.787  262.093   2.8331  259.940   2.7834 2.152130 3.971607 
1 1 1   12    3    7 o   52.214   3.9018   20.451   3.0157   17.024   4.6449   22.949   3.9649   47.261   6.7865   55.242   4.8635 -7.981140 8.349240 
1 1 1   12    3    8 o  148.325   2.2043  164.054   4.8747  166.440   6.9754  161.776   6.8152  149.380   3.1319  147.273   3.1037 2.106934 4.409324 
1 1 1   12    3    9 o  211.943   2.0898  334.978   6.6039  323.666   9.3928  346.036   9.2867  208.297   3.0244  215.381   2.8919 -7.083908 4.184521 
1 1 1   12    3   10 o   48.651   4.5057   17.831   3.2312   14.817   4.5467   20.906   4.5929   43.906   7.1947   52.529   5.9704 -8.622707 9.349285 
1 1 1   12    3   11 o  101.209   2.4390   76.419   3.6805   74.168   5.7596   77.974   4.7849   99.649   3.8766  102.207   3.1399 -2.558502 4.988705 
1 1 1   12    3   12 o   35.596   5.9935   9.7548   3.0679  -8.3852   5.7418   17.003   3.6294   16.597   7.9726   47.373   5.2254 -30.77625 9.532393 
1 1 1   12    3   13 o   88.937   2.7968   59.053   3.7086   54.582   5.7464   62.245   4.8551   85.282   4.5356   91.267   3.5679 -5.984436 5.770731 
1 1 1   12    3   14 o  106.033   2.7417   83.955   4.3345   82.355   6.5119   85.229   5.8081  104.903   4.1634  106.765   3.6487 -1.862381 5.535953 
1 1 1   12    3   15 o   58.160   4.0975   25.447   3.5305   26.280   5.7978   24.956   4.4508   58.665   6.7516   57.424   5.2568 1.241398 8.556715 
1 1 1   12    3   16 o  136.544   2.7005  139.302   5.4977  133.416   10.488  141.532   6.4558  133.207   5.2806  137.577   3.1473 -4.370132 6.147367 
1 1 1   12    3   17 o  108.943   3.2526   88.886   5.2832   89.925   7.5772   87.904   7.3703  109.317   4.6489  108.098   4.5730 1.218964 6.521035 
1 1 1   12    3   18 o   68.810   3.4830   35.675   3.5617   35.245   6.3532   35.873   4.3012   67.560   6.3828   68.833   4.2113 -1.273247 7.646889 
1 1 1   12    3   19 o   67.796   3.4562   34.777   3.4820   29.282   5.9099   37.698   4.3095   61.001   6.6033   70.378   4.1249 -9.377377 7.785803 
1 1 1   12    3   20 o   25.785   7.9168   5.4974   3.3359   5.3184   5.2295   5.6203   4.3316   26.554   9.8808   26.396   9.0879 0.1579685 13.42461 
1 1 1   12    4    0 o  299.357   2.7287  668.299   12.177  668.299   12.177  668.299   12.177  299.357   2.7287  299.357   2.7287 0.000000 0.000000 
1 1 1   12    4    1 o  332.692   2.2075  825.250   10.950  819.562   13.809  834.884   17.971  331.529   2.7937  334.588   3.6024 -3.059296 4.558738 
1 1 1   12    4    2 o  531.486   2.6323  2106.26   20.860  2105.00   29.382  2107.54   29.619  531.274   3.7093  531.592   3.7370 -0.3180542 5.265374 
1 1 1   12    4    3 f  566.047   3.0555  2389.28   25.787  2407.71   41.509  2377.70   32.908  568.101   4.9005  564.623   3.9090 3.477722 6.268611 
1 1 1   12    4    4 o  341.672   2.0684  870.394   10.537  868.468   14.891  872.325   14.912  341.272   2.9264  342.029   2.9241 -0.7569275 4.136970 
1 1 1   12    4    5 o  232.304   2.0442  402.360   7.0804  397.851   9.3877  408.308   10.783  230.986   2.7259  233.993   3.0908 -3.007477 4.121097 
1 1 1   12    4    6 o  199.485   1.8191  296.701   5.4104  298.191   8.3540  295.624   7.1007  199.968   2.8020  199.113   2.3918 0.8545532 3.684007 
1 1 1   12    4    7 o  257.698   1.8718  495.151   7.1920  491.343   11.024  497.974   9.4897  256.675   2.8806  258.415   2.4630 -1.740204 3.789986 
1 1 1   12    4    8 f  168.503   2.1373  211.730   5.3697  218.538   9.7835  208.795   6.4238  171.136   3.8343  167.320   2.5750 3.815399 4.618660 
1 1 1   12    4    9 o  114.537   2.4617   97.848   4.2040  103.328   6.2094   93.211   5.7122  117.669   3.5393  111.763   3.4280 5.905525 4.927258 
1 1 1   12    4   10 o  244.316   2.3431  445.254   8.5352  443.527   13.510  446.402   11.011  243.729   3.7178  244.581   3.0194 -0.8521729 4.789450 
1 1 1   12    4   11 o  162.484   2.2238  196.952   5.3874  201.535   7.8476  192.867   7.4091  164.303   3.2035  160.739   3.0916 3.563950 4.451959 
1 1 1   12    4   12 o  183.505   2.5043  251.301   6.8518  245.222   11.122  255.020   8.6988  181.110   4.1186  184.801   3.1571 -3.690842 5.189442 
1 1 1   12    4   13 o  178.191   2.1813  236.934   5.7953  246.140   9.0858  230.619   7.5248  181.500   3.3575  175.738   2.8718 5.762100 4.418167 
1 1 1   12    4   14 o   68.231   3.9141   34.945   3.9652   39.033   5.6802   31.060   5.5377   71.925   5.3349   64.026   5.8662 7.898338 7.929281 
1 1 1   12    4   15 o  155.333   2.2852  180.124   5.2924  189.298   8.9892  175.256   6.5475  159.048   3.7907  153.159   2.8672 5.888260 4.752972 
1 1 1   12    4   16 o  152.479   2.5532  173.704   5.8044  172.938   10.802  174.016   6.8824  151.729   4.7751  152.548   3.0260 -0.8196259 5.653165 
1 1 1   12    4   17 o   91.739   3.4657   63.106   4.7404   69.591   7.5331   58.855   6.0995   95.829   5.2928   88.273   4.6508 7.556671 7.045883 
1 1 1   12    4   18 o   36.880   6.6755   10.772   3.5356   10.075   5.9727   11.148   4.3867   34.976   10.564   37.090   8.1547 -2.114101 13.34511 
1 1 1   12    4   19 o   54.213   4.3468   22.514   3.4840   24.015   5.8033   21.668   4.3563   54.736   7.2925   52.705   5.6308 2.030582 9.213379 
1 1 1   12    4   20 o   30.577   7.2102   7.8138   3.2336   9.2630   5.9778   7.2143   3.8446   32.250   10.676   29.056   8.3998 3.194235 13.58446 
1 1 1   12    5    0 o   56.338   3.8139   23.990   3.1700   23.990   3.1700   23.990   3.1700   56.338   3.8139   56.338   3.8139 0.000000 0.000000 
1 1 1   12    5    1 o  424.136   2.5367  1341.33   16.041  1359.24   20.656  1314.13   25.463  426.931   3.2450  419.748   4.0686 7.182373 5.204192 
1 1 1   12    5    2 o  461.797   2.4073  1590.09   16.575  1580.19   23.237  1600.34   23.649  460.316   3.3857  463.241   3.4240 -2.924835 4.815290 
1 1 1   12    5    3 o  550.738   2.7236  2261.67   22.365  2302.04   32.179  2223.95   31.105  555.567   3.8848  546.066   3.8204 9.500854 5.448595 
1 1 1   12    5    4 o  168.251   3.7442  211.139   9.3925  211.139   9.3925   0.0000   0.0000  168.251   3.7442  ?   ?  0.000000 3.744154 
1 1 1   12    5    5 o  217.883   1.8991  353.955   6.1693  348.149   8.8392  359.470   8.6145  216.072   2.7437  219.560   2.6315 -3.487396 3.801706 
1 1 1   12    5    6 o  140.958   1.9530  148.148   4.1046  144.919   6.2333  150.619   5.4540  139.397   2.9991  142.120   2.5739 -2.722412 3.952168 
1 1 1   12    5    7 f  103.069   2.4774   79.223   3.8071   76.604   5.4420   81.734   5.3280  101.331   3.6020  104.673   3.4140 -3.341866 4.962824 
1 1 1   12    5    8 o  339.846   2.4055  861.376   12.189  861.375   27.784  861.376   13.564  339.538   5.4883  339.829   2.6770 -0.2908936 6.106337 
1 1 1   12    5    9 o  258.706   2.1058  499.161   8.1228  495.981   11.569  502.254   11.407  257.822   3.0097  259.452   2.9488 -1.629883 4.213488 
1 1 1   12    5   10 o  158.576   2.2253  187.580   5.2613  184.358   7.3960  190.880   7.4862  157.160   3.1563  159.916   3.1398 -2.756714 4.452037 
1 1 1   12    5   11 o  224.389   2.0260  375.589   6.7783  373.402   10.454  377.175   8.9035  223.637   3.1352  224.811   2.6563 -1.174484 4.109173 
1 1 1   12    5   12 o   85.559   3.0703   54.666   3.9166   58.909   7.3496   52.983   4.6286   88.466   5.6010   84.199   3.6870 4.266930 6.705563 
1 1 1   12    5   13 o   18.236   7.3549   1.1198   3.0815   5.0117   4.9639  -1.3206   3.9307   27.424   9.7086   17.299   7.6687 10.12574 12.37194 
1 1 1   12    5   14 o  118.342   3.0995  104.655   5.4690  114.386   8.8876   98.725   6.9382  123.512   4.8262  114.844   4.0520 8.668488 6.301646 
1 1 1   12    5   15 o   57.307   4.5614   24.781   3.8651   21.699   6.1936   26.746   4.9465   52.881   8.1146   59.366   5.6569 -6.484135 9.891748 
1 1 1   12    5   16 o   93.822   3.5812   65.937   5.0096   63.112   8.7038   67.336   6.1260   91.088   6.4506   94.707   4.3383 -3.619614 7.773733 
1 1 1   12    5   18 o   74.147   3.6311   41.448   4.0143   36.510   7.6329   43.336   4.7197   67.927   7.6710   75.561   4.2060 -7.634399 8.748434 
1 1 1   12    5   19 o   22.228   8.0725   3.4949   3.4560   3.2974   5.9303   3.5965   4.2528   25.077   10.172   23.364   8.8643 1.712767 13.49226 
1 1 1   12    5   20 o   62.727   4.1328   30.330   3.8435   26.979   7.0611   31.741   4.5818   56.124   8.7213   63.783   4.8544 -7.658470 9.981264 
1 1 1   12    6    0 o  554.685   3.8795  2294.55   32.081  2294.55   32.081  2294.55   32.081  554.685   3.8795  554.685   3.8795 0.000000 0.000000 
1 1 1   12    6    1 o  925.232   4.1807  6385.24   57.672  6254.56   79.266  6532.22   84.067  915.486   5.8072  935.548   6.0268 -20.06226 8.369361 
1 1 1   12    6    2 o  414.214   2.4826  1279.33   15.332  1266.93   23.692  1288.26   20.111  412.139   3.8556  415.626   3.2454 -3.486725 5.039693 
1 1 1   12    6    3 o  399.154   2.4081  1187.99   14.331  1227.93   19.214  1137.90   21.515  405.777   3.1759  390.594   3.6945 15.18381 4.871912 
1 1 1   12    6    4 o  261.685   1.7837  510.566   6.9594  520.475   10.777  503.478   9.1149  264.190   2.7359  259.850   2.3526 4.339722 3.608343 
1 1 1   12    6    5 o  250.388   1.9548  467.459   7.2976  463.468   10.239  471.580   10.404  249.296   2.7546  251.468   2.7750 -2.171585 3.909986 
1 1 1   12    6    6 o  142.798   2.0651  152.049   4.3967  155.805   6.2479  148.365   6.1883  144.534   2.8993  141.040   2.9428 3.494003 4.131095 
1 1 1   12    6    7 o  227.482   1.8580  385.866   6.3017  398.104   9.8178  377.292   8.2179  231.024   2.8503  224.920   2.4505 6.103424 3.758882 
1 1 1   12    6    8 o  307.336   2.3354  704.494   10.701  736.875   25.309  697.444   11.809  313.992   5.4060  305.778   2.5902 8.213837 5.994542 
1 1 1   12    6    9 o   69.370   3.1775   35.915   3.2864   34.466   5.9206   36.560   3.9510   67.604   5.9339   69.870   3.8071 -2.265862 7.050165 
1 1 1   12    6   10 o   96.361   2.7522   69.295   3.9541   58.610   5.5564   80.258   5.6283   88.557   4.2082  103.662   3.6415 -15.10503 5.565032 
1 1 1   12    6   11 o   85.951   2.7416   55.143   3.5134   59.694   5.5652   52.127   4.5302   89.353   4.1774   83.527   3.6376 5.825958 5.539211 
1 1 1   12    6   12 o   48.643   4.3313   17.844   3.1084   15.263   4.7257   19.812   4.1268   44.433   7.3932   51.107   5.5025 -6.674797 9.216135 
1 1 1   12    6   13 o  283.988   2.3170  601.985   9.8105  598.580   16.974  603.693   12.022  282.825   4.0252  284.301   2.8361 -1.476563 4.924018 
1 1 1   12    6   14 o   60.669   4.4791   27.732   4.0229   30.418   5.7307   25.123   5.6487   63.272   6.1525   57.331   6.7368 5.941456 9.123489 
1 1 1   12    6   15 o   31.081   8.2630   7.6131   3.8951   8.3994   5.8180   6.9743   5.2437   33.161   10.498   30.589   9.9931 2.572613 14.49387 
1 1 1   12    6   16 o  117.324   3.0753  103.024   5.3795   98.939   9.7100  104.833   6.4619  114.425   5.6915  118.251   3.6651 -3.825615 6.769485 
1 1 1   12    6   17 o  182.979   2.6960  250.738   7.3551  235.685   12.953  257.901   8.9354  176.469   4.9230  185.390   3.2326 -8.921371 5.889421 
1 1 1   12    6   18 o   75.459   3.6090   42.985   4.0603   46.659   8.0173   41.718   4.7089   76.995   7.0625   74.033   4.2843 2.962669 8.260450 
1 1 1   12    6   19 o   53.318   4.6856   21.987   3.6871   27.887   7.2158   19.902   4.2893   57.818   8.6351   50.210   5.8386 7.607994 10.42376 
1 1 1   12    6   20 o   34.311   7.2086   9.9397   3.5705   16.320   7.0203   7.7134   4.1469   41.255   11.148   29.560   8.7741 11.69415 14.18704 
1 1 1   12    7    0 o  572.341   5.0844  2443.68   43.380  2443.68   43.380  2443.68   43.380  572.341   5.0844  572.341   5.0844 0.000000 0.000000 
1 1 1   12    7    1 o  143.206   2.3007  152.914   4.9124  140.482   9.4606  157.503   5.7480  137.219   4.6242  145.334   2.6527 -8.114853 5.331023 
1 1 1   12    7    2 o   53.119   2.5650   21.040   2.0314   20.423   2.9560   21.592   2.7964   52.186   3.8257   53.690   3.5127 -1.503311 5.193789 
1 1 1   12    7    3 o  120.643   1.8474  108.520   3.3231  108.768   5.0959  108.336   4.3832  120.770   2.8301  120.535   2.4390 0.2350235 3.736037 
1 1 1   12    7    4 o  180.068   2.2171  241.777   5.9523  240.979   10.181  242.192   7.3368  179.731   3.7993  180.212   2.7306 -0.4810944 4.678788 
1 1 1   12    7    5 o  101.053   2.5601   76.155   3.8572   74.243   5.0327   78.876   6.0051   99.763   3.3835  102.818   3.9173 -3.054398 5.176183 
1 1 1   12    7    6 o  289.573   2.0782  625.291   8.9725  637.973   12.655  612.470   12.723  292.455   2.9022  286.546   2.9781 5.909393 4.158350 
1 1 1   12    7    7 o  347.436   2.0364  900.203   10.549  925.866   16.646  882.978   13.637  352.268   3.1693  344.055   2.6584 8.213104 4.136618 
1 1 1   12    7    8 o  137.963   2.2359  141.968   4.5993  143.945   8.6073  141.178   5.4413  138.830   4.1583  137.564   2.6529 1.266769 4.932463 
1 1 1   12    7    9 o   85.734   2.6357   54.846   3.3691   58.141   5.3815   52.722   4.3206   88.216   4.0916   84.031   3.4486 4.185020 5.351041 
1 1 1   12    7   10 o  172.968   2.0478  223.181   5.2810  220.291   8.0480  225.366   6.9985  171.768   3.1425  173.770   2.7012 -2.002533 4.143879 
1 1 1   12    7   11 o  111.550   2.5805   92.878   4.2918   92.350   6.2551   93.348   5.8995  111.154   3.7743  111.771   3.5401 -0.6168289 5.174712 
1 1 1   12    7   12 o  213.778   2.0800  341.020   6.6299  348.722   10.408  335.760   8.6006  216.034   3.2313  212.052   2.7203 3.982315 4.223887 
1 1 1   12    7   13 o   74.020   3.5518   40.975   3.9199   45.652   6.6798   38.519   4.8410   77.713   5.8070   71.550   4.5617 6.162811 7.384436 
1 1 1   12    7   14 o   63.855   3.8682   30.636   3.6654   38.649   5.7596   25.181   4.7518   71.503   5.4434   57.600   5.6040 13.90321 7.812572 
1 1 1   12    7   15 o   65.952   4.9032   32.872   4.7871   30.917   8.1857   33.889   5.9014   62.948   8.9760   66.750   5.9935 -3.801922 10.79309 
1 1 1   12    7   16 o   77.674   4.2649   45.504   4.9203   46.331   11.657   45.325   5.4274   76.222   10.539   77.419   4.7246 -1.197372 11.54975 
1 1 1   12    7   17 o   71.600   4.5091   38.931   4.7891   44.560   12.319   37.929   5.1980   73.111   11.695   70.529   4.9750 2.582115 12.70915 
1 1 1   12    7   18 o   47.802   5.9668   17.942   4.1600   18.536   7.5641   17.684   4.9810   46.010   11.144   46.853   7.3740 -0.8439102 13.36315 
1 1 1   12    7   19 o   24.027   8.9164   4.2167   4.2528   7.0203   7.0391   2.6050   5.3369   29.777   11.379   23.207   9.5584 6.570845 14.86050 
1 1 1   12    8    0 o   24.374   13.862   5.7558   7.8449   5.7558   7.8449   5.7558   7.8449   24.374   13.862   24.374   13.862 0.000000 0.000000 
1 1 1   12    8    1 o  337.572   2.8597  849.828   14.393  847.710   20.161  852.029   20.554  337.091   4.0114  337.945   4.0793 -0.8533630 5.721222 
1 1 1   12    8    2 o  569.816   3.1370  2421.64   26.652  2439.01   43.101  2410.89   33.912  571.644   5.0570  568.467   4.0011 3.176636 6.448416 
1 1 1   12    8    3 o  252.282   1.7297  474.547   6.5061  476.666   10.050  473.019   8.5361  252.818   2.6663  251.861   2.2732 0.9564819 3.503746 
1 1 1   12    8    4 o  157.372   2.1071  184.674   4.9441  177.934   9.3351  187.302   5.8288  154.419   4.0546  158.480   2.4668 -4.060242 4.746025 
1 1 1   12    8    5 o  288.513   2.0280  620.715   8.7237  619.884   12.202  621.584   12.477  288.281   2.8388  288.673   2.8989 -0.3917847 4.057421 
1 1 1   12    8    6 o  230.350   2.0186  395.694   6.9328  411.944   9.7734  379.236   9.8358  234.996   2.7894  225.467   2.9259 9.529236 4.042483 
1 1 1   12    8    7 o  329.253   2.1363  808.539   10.487  845.421   18.550  791.214   12.714  336.525   3.6971  325.669   2.6183 10.85562 4.530391 
1 1 1   12    8    8 o  180.579   2.0673  243.224   5.5660  265.473   10.105  233.533   6.6688  188.557   3.5943  176.922   2.5281 11.63469 4.394392 
1 1 1   12    8    9 o  108.360   2.3763   87.609   3.8393   91.889   6.5463   85.365   4.7400  110.893   3.9594  106.938   2.9729 3.954613 4.951221 
1 1 1   12    8   10 o   77.990   3.1931   45.425   3.7130   51.487   6.0261   41.716   4.7142   82.787   4.9039   74.566   4.2580 8.221817 6.494501 
1 1 1   12    8   11 o   49.842   4.1637   18.714   3.0658   20.477   4.8660   17.553   3.9479   51.801   6.4392   48.047   5.6170 3.753567 8.544846 
1 1 1   12    8   12 o  133.828   2.5322  133.723   5.0527  144.829   9.4593  129.290   5.9768  139.034   4.5632  131.546   3.0473 7.488190 5.487168 
1 1 1   12    8   13 o  177.742   2.9561  236.075   7.8339  232.132   16.858  237.161   8.8472  175.474   6.4434  178.094   3.3319 -2.619400 7.253847 
1 1 1   12    8   14 o  149.680   2.8795  167.447   6.4262  163.637   10.543  169.699   8.1063  147.636   4.7894  150.574   3.6108 -2.937820 5.998026 
1 1 1   12    8   15 o   51.749   5.9590   20.499   4.5137   32.914   7.9621   14.619   5.4793   65.053   8.4056   42.886   8.8621 22.16631 12.21441 
1 1 1   12    8   16 f   42.161   6.9359   13.935   4.2083   18.535   7.6896   11.968   5.0281   47.392   11.081   38.493   8.9333 8.899250 14.23329 
1 1 1   12    8   17 o   85.502   5.2635   55.991   6.6773   0.0000   0.0000   55.991   6.6773  ?   ?    85.502   5.2635 0.000000 5.263463 
1 1 1   12    8   18 o   36.017   7.5942   10.695   3.9496   13.299   7.4133   9.6634   4.6671   38.423   11.803   33.692   9.0838 4.731464 14.89358 
1 1 1   12    8   19 o   20.318   7.7896   2.6760   3.3057   4.5998   5.9839   1.8310   3.9658   25.940   10.322   20.102   8.2549 5.837585 13.21667 
1 1 1   12    9    0 o  110.345   8.0352   92.347   13.059   92.347   13.059   92.347   13.059  110.345   8.0352  110.345   8.0352 0.000000 0.000000 
1 1 1   12    9    1 o  602.816   3.6762  2711.05   33.041  2685.01   65.918  2719.79   38.185  599.229   7.3780  603.711   4.2422 -4.482544 8.510654 
1 1 1   12    9    2 o  281.086   2.4922  589.222   10.445  611.638   22.525  583.083   11.789  286.199   5.2787  279.603   2.8279 6.596161 5.988446 
1 1 1   12    9    3 o  132.237   2.0694  130.396   4.0801  136.503   9.2725  128.929   4.5437  135.224   4.5991  131.486   2.3177 3.738022 5.150086 
1 1 1   12    9    4 o  134.737   2.0311  135.377   4.0802  141.307   8.6630  133.687   4.6253  137.588   4.2230  133.887   2.3170 3.700867 4.816849 
1 1 1   12    9    5 o  283.629   2.3064  599.980   9.7535  620.127   16.142  588.396   12.241  288.245   3.7561  280.839   2.9233 7.405457 4.759583 
1 1 1   12    9    6 o   35.107   5.8058   9.4621   2.9327   10.780   5.9660   9.0424   3.3677   37.279   10.361   34.145   6.8534 3.134182 12.42238 
1 1 1   12    9    7 o  110.732   2.5185   91.479   4.1580   98.601   7.8396   88.691   4.9047  114.860   4.5778  109.013   3.0176 5.846390 5.482913 
1 1 1   12    9    8 o  169.111   2.1373  213.339   5.3889  207.660   9.8221  215.785   6.4457  166.710   3.9516  170.054   2.5422 -3.343475 4.698714 
1 1 1   12    9    9 o  135.546   2.3124  137.091   4.6734  130.642   8.5785  139.812   5.5729  132.167   4.3533  136.860   2.7311 -4.693146 5.139056 
1 1 1   12    9   10 o   91.403   3.0909   62.400   4.2122   62.459   7.1892   62.369   5.1979   91.126   5.3144   91.335   3.8170 -0.2090378 6.543110 
1 1 1   12    9   11 o  100.685   2.7953   75.709   4.1963   79.686   7.9367   74.166   4.9437  102.941   5.1877   99.616   3.3286 3.325684 6.163768 
1 1 1   12    9   12 o   96.600   2.9590   69.726   4.2618   72.412   7.9102   68.628   5.0589   98.029   5.4333   95.788   3.5422 2.240486 6.485961 
1 1 1   12    9   13 o  120.326   2.8522  108.190   5.1169   97.868   9.1573  112.876   6.1700  114.097   5.3830  122.847   3.3686 -8.749886 6.350101 
1 1 1   12    9   14 o   85.496   3.5321   54.726   4.5025   49.504   8.2775   56.921   5.3657   80.534   6.9621   87.125   4.1306 -6.590736 8.095224 
1 1 1   12    9   15 o   42.566   6.7515   14.106   4.1418   8.3265   7.6941   16.464   4.9147   34.053   12.084   45.874   7.4405 -11.82044 14.19074 
1 1 1   12    9   16 o   77.577   3.9714   45.452   4.5782   43.011   8.8057   46.356   5.3595   73.967   8.1181   78.171   4.6190 -4.203865 9.340176 
1 1 1   12    9   17 o   63.733   4.8491   31.167   4.5732   24.271   7.1847   35.863   5.9296   54.207   9.2197   67.938   5.9128 -13.73118 10.95284 
1 1 1   12    9   18 o   44.628   6.4682   15.995   4.1784   18.954   7.0575   14.398   5.1848   46.220   10.482   41.155   8.7206 5.064781 13.63567 
1 1 1   12    9   19 o   51.058   4.9999   20.557   3.7575   22.735   6.5649   19.496   4.5822   50.884   8.9816   48.857   6.4480 2.027412 11.05649 
1 1 1   12   10    0 f   89.388   6.8561   60.694   9.0138   60.694   9.0138   60.694   9.0138   89.388   6.8561   89.388   6.8561 0.000000 0.000000 
1 1 1   12   10    1 o  124.159   3.5206  115.022   6.5174  115.977   8.8663  113.900   9.6128  124.627   4.7716  123.487   5.2210 1.140289 7.072978 
1 1 1   12   10    2 o  115.631   2.3585   99.718   4.0662  101.272   8.2836   99.225   4.6672  116.453   4.7709  115.337   2.7140 1.116127 5.488818 
1 1 1   12   10    3 o  361.401   2.1717  974.061   11.702  969.905   21.716  975.762   13.891  360.458   4.0406  361.688   2.5759 -1.230072 4.791860 
1 1 1   12   10    4 o  420.565   2.3628  1319.26   14.816  1342.44   27.186  1309.46   17.670  423.993   4.3005  418.954   2.8289 5.038361 5.147500 
1 1 1   12   10    5 o  139.988   2.3735  146.178   4.9540  142.858   8.5701  147.845   6.0710  138.304   4.1561  140.764   2.8927 -2.459625 5.063650 
1 1 1   12   10    6 o  233.406   2.1728  406.366   7.5613  405.756   18.099  406.495   8.3224  232.907   5.2119  233.428   2.3912 -0.5216980 5.734289 
1 1 1   12   10    7 o  207.277   2.0454  320.485   6.3212  320.873   11.552  320.319   7.5521  207.255   3.7384  207.197   2.4446 0.5863953E-01 4.466749 
1 1 1   12   10    8 o   68.181   3.2271   34.716   3.2806   34.356   6.2974   34.850   3.8433   67.366   6.3445   68.185   3.7955 -0.8187103 7.393117 
1 1 1   12   10    9 o  226.698   2.1387  383.458   7.2287  382.866   12.980  383.724   8.7032  226.299   3.8471  226.732   2.5745 -0.4320679 4.629076 
1 1 1   12   10   10 o  144.594   2.3608  156.056   5.0896  165.794   9.4584  152.087   6.0384  148.829   4.2625  142.704   2.8380 6.124710 5.120847 
1 1 1   12   10   11 o  185.314   2.2870  256.353   6.3190  252.835   11.509  257.871   7.5604  183.746   4.2010  185.809   2.7290 -2.062866 5.009593 
1 1 1   12   10   12 o  211.867   2.7735  335.369   8.7612   0.0000   0.0000  335.369   8.7612  ?   ?   211.867   2.7735 0.000000 2.773528 
1 1 1   12   10   13 o  165.741   2.5184  205.202   6.2233  218.543   11.466  199.631   7.4097  170.665   4.5060  163.400   3.0414 7.264404 5.436423 
1 1 1   12   10   14 o  149.980   2.6703  168.163   5.9712  160.199   10.679  171.785   7.2023  145.897   4.9094  151.495   3.1886 -5.598465 5.854004 
1 1 1   12   10   15 o  156.317   2.6743  182.870   6.2328  185.636   11.443  181.703   7.4321  156.783   4.8951  155.687   3.2017 1.095490 5.849192 
1 1 1   12   10   16 o   58.954   4.7421   26.539   4.1329   21.752   7.4583   28.660   4.9649   51.222   10.125   61.030   5.5160 -9.808372 11.52987 
1 1 1   12   10   17 o   30.549   8.6501   7.8098   4.1183   2.2634   6.7828   11.049   5.1831   25.194   10.606   35.946   9.5200 -10.75295 14.25172 
1 1 1   12   10   18 o   69.336   4.9092   37.418   5.0422   41.167   7.3766   34.130   6.9080   71.210   7.0399   64.595   7.3008 6.614990 10.14214 
1 1 1   12   11    0 o  497.626   4.7920  1848.24   35.547  1848.24   35.547  1848.24   35.547  497.626   4.7920  497.626   4.7920 0.000000 0.000000 
1 1 1   12   11    1 o  371.583   3.0050  1030.18   16.648  1034.30   23.426  1025.96   23.665  372.178   4.2216  370.665   4.2820 1.512238 6.013093 
1 1 1   12   11    2 o  477.113   2.8299  1698.32   20.131  1698.27   32.791  1698.35   25.503  476.802   4.6126  477.006   3.5859 -0.2038574 5.842522 
1 1 1   12   11    3 o  106.688   1.9776   84.889   3.1458   89.403   8.0376   84.073   3.4185  109.373   4.9289  106.170   2.1596 3.202675 5.381219 
1 1 1   12   11    4 f  183.757   1.9111  251.832   5.2360  237.652   10.480  256.549   6.0444  178.386   3.9404  185.458   2.1860 -7.071533 4.506117 
1 1 1   12   11    5 o  114.022   2.8462   97.024   4.8387  108.159   11.324   94.536   5.3518  119.968   6.3536  112.535   3.1897 7.432907 7.109284 
1 1 1   12   11    6 o   60.555   3.3962   27.469   3.0539   15.782   6.1979   31.217   3.5096   44.875   9.5562   64.542   3.6621 -19.66694 10.23390 
1 1 1   12   11    7 o  179.824   2.0587  241.241   5.5197  239.044   10.277  242.132   6.5437  178.842   3.8540  180.130   2.4365 -1.288147 4.559631 
1 1 1   12   11    8 o  110.584   2.4226   91.267   3.9943   87.465   7.5989   92.719   4.6953  108.085   4.7153  111.437   2.8260 -3.352058 5.497323 
1 1 1   12   11    9 o  137.328   2.5316  140.789   5.1835  136.238   8.9176  143.112   6.3702  134.893   4.4339  138.408   3.0869 -3.515167 5.402630 
1 1 1   12   11   10 o   91.574   2.9102   62.648   3.9734   77.893   7.6333   56.982   4.6535  101.895   5.0245   87.287   3.5757 14.60723 6.166940 
1 1 1   12   11   11 o  273.542   2.2837  558.639   9.3141  574.229   17.064  552.023   11.116  276.867   4.1336  271.829   2.7427 5.038666 4.960813 
1 1 1   12   11   12 o  227.853   2.5302  387.804   8.5958  403.015   20.577  384.588   9.4608  231.233   5.9684  226.856   2.7971 4.376587 6.591358 
1 1 1   12   11   13 o  103.719   3.4861   80.549   5.3910   70.736   8.6436   86.796   6.8969   96.595   6.0318  107.543   4.3013 -10.94835 7.408393 
1 1 1   12   11   14 o  124.566   3.2179  116.235   5.9764  115.451   9.8306  116.695   7.5270  123.625   5.3334  124.636   4.0505 -1.011177 6.697154 
1 1 1   12   11   15 o   62.129   5.0369   29.437   4.6256   26.228   12.092   29.987   5.0064   54.613   14.578   62.602   5.4171 -7.988934 15.55188 
1 1 1   12   11   16 o   76.587   4.1286   44.581   4.6970   37.413   10.891   46.219   5.2060   66.092   11.468   77.845   4.5047 -11.75225 12.32126 
1 1 1   12   11   17 o   17.325   7.4720   0.1518   3.5127   1.8246   6.5233  -0.5313   4.1686   24.170   10.298   17.990   7.9400 6.180460 13.00327 
1 1 1   12   11   18 o   35.406   7.8141   10.740   4.0145   14.431   6.5874   8.5598   5.0634   39.023   10.902   30.815   9.7978 8.207716 14.65761 
1 1 1   12   12    0 o  211.706   4.1914  334.809   13.218  334.809   13.218  334.809   13.218  211.706   4.1914  211.706   4.1914 0.000000 0.000000 
1 1 1   12   12    1 o  174.354   3.0947  226.878   8.0448  239.463   11.343  214.143   11.411  179.035   4.2495  169.282   4.5211 9.753403 6.204726 
1 1 1   12   12    2 o   83.895   2.5342   52.511   3.1700   37.283   6.8671   56.635   3.5735   70.221   6.6377   87.120   2.7511 -16.89899 7.185205 
1 1 1   12   12    3 o  288.337   1.9948  620.111   8.5755  602.258   16.364  626.870   10.069  283.952   3.8652  289.877   2.3297 -5.925262 4.513002 
1 1 1   12   12    4 o  142.445   2.0777  151.358   4.4126  159.287   13.817  150.457   4.6565  145.749   6.3580  142.015   2.1991 3.734238 6.727624 
1 1 1   12   12    5 o  158.474   2.1863  187.365   5.1658  181.742   13.253  188.372   5.6095  155.732   5.7076  158.889   2.3679 -3.157028 6.179262 
1 1 1   12   12    6 o  173.228   2.0570  223.874   5.3128  206.834   9.9185  230.730   6.2914  166.331   3.9995  175.837   2.3998 -9.505417 4.664195 
1 1 1   12   12    7 f  174.380   2.1045  226.889   5.4717  228.362   10.353  226.318   6.4455  174.749   3.9735  174.130   2.4826 0.6186066 4.685290 
1 1 1   12   12    8 o   90.393   2.9306   61.030   3.9497   55.389   6.8497   63.840   4.8344   85.755   5.3846   92.413   3.5087 -6.658234 6.426847 
1 1 1   12   12    9 o  252.451   2.1966  475.688   8.2681  473.440   14.921  476.684   9.9325  251.506   3.9790  252.647   2.6368 -1.141739 4.773359 
1 1 1   12   12   10 o   33.913   6.8301   8.9894   3.3341   10.925   6.0674   8.1522   3.9907   37.184   10.489   32.157   8.2752 5.027309 13.36030 
1 1 1   12   12   11 o   74.277   3.9086   41.438   4.3134   28.958   10.319   44.080   4.7481   60.061   11.944   76.576   4.1745 -16.51431 12.65261 
1 1 1   12   12   12 o   79.059   3.5981   46.804   4.2412   40.121   7.8210   49.587   5.0479   72.336   7.3539   81.207   4.1833 -8.870483 8.460505 
1 1 1   12   12   13 o  152.891   2.8659  174.867   6.5331  177.658   10.569  173.141   8.3112  153.685   4.6123  151.967   3.6681 1.717850 5.893091 
1 1 1   12   12   14 o  116.942   3.2902  102.573   5.7367  103.744   9.7509  101.953   7.0945  116.939   5.5926  116.396   4.0880 0.5425110 6.927414 
1 1 1   12   12   15 f  106.883   3.1426   85.847   5.0081   85.624   9.3447   85.937   5.9319  105.506   5.9649  106.767   3.7264 -1.261223 7.033192 
1 1 1   12   12   16 o   40.160   7.0654   13.043   4.0761   17.552   9.4230   12.005   4.5210   43.379   13.304   38.010   8.2169 5.368275 15.63665 
1 1 1   12   12   17 o   27.960   8.5927   6.6591   3.9287   3.1838   6.0477   9.1964   5.1676   24.603   10.159   32.209   9.8475 -7.606300 14.14834 
1 1 1   12   12   18 o   44.733   7.3237   16.959   4.7155   15.022   6.7032   18.858   6.6349   39.088   11.024   44.839   10.160 -5.751751 14.99181 
1 1 1   12   13    0 o  160.635   4.8363  193.165   11.559  193.165   11.559  193.165   11.559  160.635   4.8363  160.635   4.8363 0.000000 0.000000 
1 1 1   12   13    1 o   24.192   10.315   0.0102   6.5533  -7.4531   10.483   4.7973   8.3959   25.857   11.882   31.636   12.336 -5.779156 17.12788 
1 1 1   12   13    2 o  137.440   2.8116  140.992   5.7614  138.520   13.165  141.577   6.4076  135.871   6.4985  137.705   3.1209 -1.834198 7.209065 
1 1 1   12   13    3 o  165.217   2.4658  203.695   6.0742  197.343   14.215  205.113   6.7185  162.245   5.8763  165.773   2.7182 -3.528854 6.474575 
1 1 1   12   13    4 o   64.083   2.7037   30.654   2.5833   36.939   9.7259   30.177   2.6796   69.185   9.6948   63.579   2.8267 5.605923 10.09851 
1 1 1   12   13    5 o  152.503   1.9952  173.511   4.5368  161.184   8.9453  177.779   5.2640  146.809   4.0867  154.349   2.2874 -7.540314 4.683304 
1 1 1   12   13    6 o   68.629   3.0527   35.180   3.1237   35.299   6.4764   35.145   3.5659   68.222   6.4433   68.484   3.5040 -0.2622681 7.334442 
1 1 1   12   13    7 o  122.150   2.4098  111.380   4.3888  110.916   8.0461  111.576   5.2363  121.702   4.4342  122.223   2.8734 -0.5213928 5.283852 
1 1 1   12   13    8 o  132.215   2.4881  130.525   4.9049  136.215   8.7347  127.904   5.9277  134.847   4.3444  130.830   3.0389 4.017212 5.301766 
1 1 1   12   13    9 o   70.540   3.4757   37.223   3.6555   33.686   6.8993   38.603   4.3102   66.386   7.0796   71.679   4.0497 -5.292603 8.156028 
1 1 1   12   13   10 o   28.376   7.7869   6.3103   3.3942   15.350   6.6878   3.1741   3.9392   43.796   10.397   23.081   8.5783 20.71493 13.47918 
1 1 1   12   13   11 o  207.239   2.5354  320.875   7.8340  296.858   17.911  326.556   8.7114  198.312   6.0577  209.016   2.7954 -10.70441 6.671603 
1 1 1   12   13   12 o   57.591   4.7881   25.119   4.0741   24.524   7.7762   25.344   4.7832   55.590   9.7370   57.679   5.6339 -2.089149 11.24946 
1 1 1   12   13   13 o  201.288   2.7377  303.201   8.2164  291.797   13.098  310.601   10.550  196.847   4.4627  203.493   3.4773 -6.645355 5.657563 
1 1 1   12   13   14 o   26.644   9.1012   5.2763   4.3420  -5.9199   7.0258   12.195   5.5229   20.126   9.4119   38.494   9.6432 -18.36811 13.47497 
1 1 1   12   13   15 o   53.228   5.2224   21.896   4.0912   12.910   7.6782   25.458   4.8347   38.468   12.044   57.228   5.7437 -18.76033 13.34364 
1 1 1   12   13   16 o   22.488   8.5135   3.3933   3.9176   6.3968   9.2436   2.7357   4.3253   30.833   12.625   22.085   8.7793 8.747684 15.37779 
1 1 1   12   13   17 o   34.710   7.9692   10.393   4.0370   4.9610   6.5172   13.775   5.1424   26.523   10.696   39.456   8.9474 -12.93323 13.94525 
1 1 1   12   14    0 o  135.357   7.0524  138.204   14.144  138.204   14.144  138.204   14.144  135.357   7.0524  135.357   7.0524 0.000000 0.000000 
1 1 1   12   14    1 o  244.579   4.2995  447.450   15.679  429.897   21.360  467.953   23.086  239.356   5.9854  249.666   6.2018 -10.30994 8.619012 
1 1 1   12   14    2 o  118.337   5.4937  104.988   9.6929   93.485   12.634  121.442   15.111  111.113   7.6734  126.619   8.0463 -15.50539 11.11867 
1 1 1   12   14    3 o   80.948   3.2130   48.948   3.8779   38.046   10.559   50.648   4.1692   69.978   10.440   82.332   3.3964 -12.35394 10.97818 
1 1 1   12   14    4 o  195.853   1.9119  286.175   5.5831  287.759   11.547  285.692   6.3782  196.152   3.9481  195.665   2.1863 0.4866333 4.513081 
1 1 1   12   14    5 o   66.805   2.8718   33.332   2.8604   23.806   6.6789   35.472   3.1654   55.496   8.3290   68.907   3.0811 -13.41082 8.880632 
1 1 1   12   14    6 o  108.082   2.4412   87.213   3.9340   79.327   7.4380   90.275   4.6354  102.861   4.8499  109.937   2.8280 -7.075348 5.614202 
1 1 1   12   14    7 o  141.584   2.2563  149.643   4.7631  151.473   9.0353  148.939   5.6052  142.199   4.2616  141.212   2.6622 0.9860840 5.024844 
1 1 1   12   14    8 o   98.091   2.7778   71.893   4.0625   68.763   7.6399   73.127   4.7969   95.484   5.3885   98.887   3.2535 -3.403717 6.294541 
1 1 1   12   14    9 o   81.241   3.2259   49.367   3.9075   57.028   7.6075   46.622   4.5541   86.781   5.9148   78.891   3.8717 7.890030 7.069323 
1 1 1   12   14   10 o  129.103   3.7537  124.862   7.2254   0.0000   0.0000  124.862   7.2254  ?   ?   129.103   3.7537 0.000000 3.753677 
1 1 1   12   14   11 o  125.206   3.0365  117.286   5.6684  135.463   14.615  114.068   6.1498  133.197   7.3885  123.429   3.3417 9.767838 8.109051 
1 1 1   12   14   12 f   20.883   8.3925   1.7024   3.9968  -6.5807   7.0418   5.6390   4.8545   19.989   9.3716   27.948   9.6208 -7.958626 13.43080 
1 1 1   12   14   13 o  109.767   3.4525   90.495   5.6504   89.169   9.3127   91.267   7.1083  108.084   5.8001  109.998   4.3342 -1.914764 7.240593 
1 1 1   12   14   14 o   29.281   8.3795   6.9751   3.8436   18.593   7.3715   2.6371   4.5044   46.795   10.787   22.700   8.9796 24.09442 14.03515 
1 1 1   12   14   15 o   47.892   5.4651   17.944   3.8325   17.216   7.4607   18.206   4.4669   43.825   11.333   47.827   6.4269 -4.001640 13.02883 
1 1 1   12   14   16 o   63.400   4.7984   31.298   4.5022   38.073   7.2278   27.003   5.7551   68.216   7.2158   57.627   6.8312 10.58959 9.936459 
1 1 1   12   14   17 o   52.033   5.6190   21.827   4.2900   19.990   6.7826   23.052   5.5387   46.106   10.142   52.193   7.3187 -6.087086 12.50716 
1 1 1   12   15    0 o  191.643   4.6156  274.793   13.171  274.793   13.171  274.793   13.171  191.643   4.6156  191.643   4.6156 0.000000 0.000000 
1 1 1   12   15    1 o  162.186   3.3605  196.578   8.1261  196.774   10.983  196.340   12.079  162.101   4.5445  161.845   5.0055 0.2560883 6.760721 
1 1 1   12   15    2 o   44.022   8.9535   15.217   5.6766   18.332   7.6278   11.350   8.4984   48.041   10.899   38.905   12.722 9.135551 16.75274 
1 1 1   12   15    3 o   48.713   4.1981   17.893   3.0193   23.400   6.6619   16.469   3.3872   54.980   8.3929   46.611   4.9496 8.368572 9.743703 
1 1 1   12   15    4 o   92.990   2.1888   64.539   3.0346   70.330   7.6160   63.446   3.3086   96.653   5.3053   92.187   2.4072 4.465569 5.825833 
1 1 1   12   15    5 o  215.992   2.4243  348.324   7.8072  363.409   12.839  339.474   9.8343  220.347   3.9080  213.126   3.0948 7.220871 4.984983 
1 1 1   12   15    6 o  159.833   2.5461  190.800   6.0675  192.608   9.8316  189.687   7.7110  160.352   4.1123  159.275   3.2471 1.076385 5.239693 
1 1 1   12   15    7 o  160.685   2.3839  192.821   5.7112  185.052   9.9247  196.668   6.9833  157.117   4.2367  162.213   2.8874 -5.096481 5.127030 
1 1 1   12   15    8 o  156.730   2.6474  183.553   6.1864  179.749   10.003  185.909   7.8723  154.794   4.3344  157.622   3.3498 -2.828156 5.477940 
1 1 1   12   15    9 o   22.802   8.8505   2.6060   4.3062   2.0841   8.6709   2.7769   4.9613   29.019   12.088   24.127   9.4621 4.891565 15.35077 
1 1 1   12   15   10 o   79.247   4.0871   47.247   4.8126   53.551   8.1258   43.841   5.9729   83.807   6.5553   76.090   5.2979 7.717010 8.428517 
1 1 1   12   15   11 o   18.724   7.8127   0.6586   3.6309   2.3060   7.1708   0.0905   4.2106   26.889   11.078   19.331   8.2555 7.558033 13.81567 
1 1 1   12   15   12 o  120.947   2.8822  109.586   5.1975   93.443   9.2787  116.967   6.2742  110.787   5.6359  124.842   3.3708 -14.05406 6.566957 
1 1 1   12   15   13 o   16.433   7.6498  -3.7266   4.5571   4.7607   7.1649  -9.4925   5.9055   28.789   11.345   16.047   7.7988 12.74257 13.76713 
1 1 1   12   15   14 o   46.515   6.2047   17.084   4.1958   25.184   10.591   15.576   4.5696   52.027   13.527   43.956   7.2236 8.071457 15.33535 
1 1 1   12   15   15 o   35.793   7.2624   10.629   3.7432   10.886   6.8695   10.521   4.4642   34.556   11.445   34.973   8.6171 -0.4177094 14.32632 
1 1 1   12   15   16 o   18.743   7.9342   1.0943   3.8303   8.4913   6.4953  -2.8496   4.7428   30.427   11.064   16.808   7.8176 13.61934 13.54737 
1 1 1   12   16    0 o   81.786   7.4348   51.371   8.8939   51.371   8.8939   51.371   8.8939   81.786   7.4348   81.786   7.4348 0.000000 0.000000 
1 1 1   12   16    1 o   18.245   8.4103  -4.0135   5.3080   1.0309   7.2763  -9.7512   7.7603   26.195   11.004   19.891   9.4768 6.304106 14.52214 
1 1 1   12   16    2 o   46.609   8.4277   16.981   5.6411   20.297   7.4599   12.553   8.6208   50.626   10.235   40.326   12.780 10.29992 16.37352 
1 1 1   12   16    3 o  190.553   3.1966  271.454   9.0819  280.100   11.842  259.106   14.152  193.387   4.1070  185.763   5.1097 7.624344 6.555636 
1 1 1   12   16    4 o  172.724   1.9341  222.647   4.9809  234.031   11.050  219.744   5.5799  176.729   4.1936  171.569   2.1813 5.160461 4.727006 
1 1 1   12   16    5 o   26.923   6.1732   5.6820   2.4251   7.2347   6.2462   5.4064   2.6315   31.783   10.915   26.251   6.7007 5.531931 12.80745 
1 1 1   12   16    6 o  152.226   2.3014  173.051   5.2234  167.818   9.7132  175.181   6.1956  149.570   4.3556  153.107   2.7140 -3.537399 5.131969 
1 1 1   12   16    7 f   13.677   6.2801  -2.1004   2.9208 -13.7752   6.3484   1.0346   3.2897   15.413   7.6103   18.524   7.5524 -3.111313 10.72176 
1 1 1   12   16    8 o   46.760   5.1950   16.660   3.5606   31.573   9.5538   14.255   3.8370   63.039   10.537   43.007   6.1598 20.03125 12.20512 
1 1 1   12   16    9 o   46.387   6.4448   16.605   4.3369   9.9610   7.4882   19.959   5.3200   36.097   11.949   50.731   7.2388 -14.63370 13.97064 
1 1 1   12   16   10 o   62.151   4.4983   29.215   4.1402   33.871   10.699   28.395   4.4900   64.630   11.526   61.171   4.9659 3.458439 12.54987 
1 1 1   12   16   11 o   80.310   3.6914   48.458   4.4201   34.742   8.1398   54.194   5.2638   66.471   8.4007   84.840   4.1613 -18.36929 9.374901 
1 1 1   12   16   12 o   51.477   5.1437   20.334   3.8949   34.092   7.6451   15.511   4.5264   65.666   7.9720   44.295   7.0930 21.37058 10.67071 
1 1 1   12   16   13 o   24.157   8.8682   4.0404   4.1871   4.1123   7.0563   4.0013   5.2019   27.575   11.127   25.298   9.7530 2.276634 14.79612 
1 1 1   12   16   14 o   86.038   3.4385   56.120   4.4110   50.598   7.9609   58.567   5.2987   79.578   6.7741   87.608   4.0565 -8.030258 7.895843 
1 1 1   12   16   15 o   23.251   8.4636   4.1714   3.8022  -6.1385   8.7104   6.5983   4.2260   21.346   10.133   27.597   8.9690 -6.250378 13.53203 
1 1 1   12   16   16 o   26.391   8.3768   6.2253   3.7025   7.6073   6.9684   5.6816   4.3704   28.694   11.225   25.481   9.1001 3.213627 14.45018 
1 1 1   12   17    0 o   19.915   12.642   1.1454   8.1619   1.1454   8.1619   1.1454   8.1619   19.915   12.642   19.915   12.642 0.000000 0.000000 
1 1 1   12   17    1 o   98.704   4.5942   73.104   6.7611   74.054   8.9459   71.840   10.325   98.918   6.0953   97.141   7.1798 1.777069 9.418172 
1 1 1   12   17    2 o  130.025   3.7536  126.597   7.2769  124.378   9.7640  129.371   10.914  128.641   5.0907  131.089   5.5840 -2.448456 7.556190 
1 1 1   12   17    3 o  116.077   2.9252  100.728   5.0627   85.141   9.2050  107.487   6.0619  106.123   5.8401  119.851   3.3923 -13.72855 6.753825 
1 1 1   12   17    4 o  179.628   1.6911  240.777   4.5292  252.209   11.843  238.818   4.9018  183.347   4.3323  178.881   1.8379 4.466400 4.706006 
1 1 1   12   17    5 o  109.900   2.2929   90.210   3.7571   97.243   8.6588   88.579   4.1701  113.683   5.1085  108.876   2.5689 4.806366 5.718052 
1 1 1   12   17    6 o   90.950   2.7437   61.840   3.7206   64.013   7.8793   61.217   4.2208   91.915   5.7789   90.452   3.1297 1.462738 6.572003 
1 1 1   12   17    7 o  106.925   3.4989   85.644   5.5780  105.840   12.329   80.445   6.2548  117.802   7.0518  103.544   4.0515 14.25777 8.132817 
1 1 1   12   17    8 o   81.349   3.1866   49.546   3.8651   50.362   7.7757   49.279   4.4543   81.228   6.4741   81.070   3.6851 0.1583939 7.449449 
1 1 1   12   17    9 o   30.893   8.8808   7.5685   4.3085   9.9660   7.3843   6.3311   5.3051   35.863   11.866   29.404   10.060 6.458935 15.55621 
1 1 1   12   17   10 o   76.210   3.9373   43.801   4.4586   49.895   8.4766   41.470   5.2424   80.338   7.1515   73.947   4.7804 6.390419 8.602096 
1 1 1   12   17   11 o  124.107   2.7999  115.487   5.1811  117.256   9.9471  114.829   6.0694  124.102   5.3758  123.617   3.2930 0.4848328 6.304247 
1 1 1   12   17   12 o   71.117   4.0291   38.420   4.2547   42.043   8.1344   37.056   4.9920   72.731   7.6142   69.550   4.8442 3.181007 9.024512 
1 1 1   12   17   13 o   22.169   8.9660   2.4434   4.5933 -13.4725   9.4640   7.3478   5.2535   20.026   9.7640   29.692   10.012 -9.665667 13.98464 
1 1 1   12   17   14 o   36.808   6.6380   11.148   3.5089   5.6504   6.3223   13.596   4.2182   27.350   10.694   40.382   7.2735 -13.03234 12.93280 
1 1 1   12   17   15 o   43.008   7.3372   15.767   4.5361   12.250   10.554   16.565   5.0238   33.787   13.617   43.587   8.0262 -9.800777 15.80605 
1 1 1   12   18    0 o  209.853   4.7491  329.862   14.842  329.862   14.842  329.862   14.842  209.853   4.7491  209.853   4.7491 0.000000 0.000000 
1 1 1   12   18    1 o  109.568   4.4436   90.140   7.2593   93.028   9.9363   86.833   10.631  110.819   6.0364  106.854   6.7070 3.964714 9.023471 
1 1 1   12   18    2 o   83.290   5.4548   52.500   6.7365   55.507   9.0200   48.709   10.130   85.199   7.1673   79.291   8.7125 5.907829 11.28176 
1 1 1   12   18    3 o  223.507   2.6676  373.416   8.8894  363.298   14.166  379.988   11.417  219.978   4.3192  225.276   3.3992 -5.297546 5.496315 
1 1 1   12   18    4 o   91.235   2.4274   62.196   3.3020   68.800   8.8768   61.136   3.5573   95.134   6.2938   90.435   2.6382 4.698364 6.824384 
1 1 1   12   18    5 o   32.234   5.8346   8.0859   2.7009   10.069   9.6037   7.9156   2.8145   37.569   13.482   31.822   6.1546 5.747866 14.82055 
1 1 1   12   18    6 o   12.029   5.7210  -3.5065   2.8029  -4.5812   6.9718  -3.2993   3.0611   21.119   9.6993   12.987   6.1172 8.131318 11.46715 
1 1 1   12   18    7 o   64.758   4.5289   31.704   4.3452   33.502   7.5785   30.824   5.3036   65.681   7.8970   63.601   5.6518 2.080547 9.711119 
1 1 1   12   18    8 o   31.646   7.2267   7.9566   3.3349   7.9860   7.0971   7.9483   3.7780   33.061   11.618   31.542   8.0165 1.518963 14.11562 
1 1 1   12   18    9 o   73.420   5.5120   41.138   5.9897   26.418   12.149   45.865   6.8846   55.089   14.568   77.379   6.0147 -22.28943 15.76101 
1 1 1   12   18   10 o   56.612   4.5717   24.415   3.8259   37.374   8.1257   20.723   4.3367   68.749   8.0814   51.808   5.7091 16.94169 9.894633 
1 1 1   12   18   11 o   53.028   4.8568   21.608   3.7973   16.105   7.1787   23.746   4.4746   43.184   11.091   55.387   5.4908 -12.20351 12.37602 
1 1 1   12   18   12 o   33.368   8.2414   9.3577   4.0760  -4.3770   9.0470   12.856   4.5656   23.441   10.867   39.309   8.0605 -15.86745 13.52977 
1 1 1   12   18   13 o   31.304   8.5358   8.5059   4.0937   3.6141   6.2578   12.165   5.4124   25.161   10.355   36.829   9.7161 -11.66843 14.19984 
1 1 1   12   18   14 o   49.912   5.2015   19.847   3.8140   14.913   7.2032   21.769   4.4960   38.449   11.598   51.817   5.9260 -13.36780 13.02465 
1 1 1   12   18   15 o   21.791   8.2458   3.7817   3.6741   6.7154   7.0823   2.7015   4.2976   27.178   11.081   20.872   8.5849 6.305790 14.01758 
1 1 1   12   19    0 o   23.041   14.262   3.2362   9.7132   3.2362   9.7132   3.2362   9.7132   23.041   14.262   23.041   14.262 0.000000 0.000000 
1 1 1   12   19    1 o   22.162   9.6667  -0.7914   6.0163   9.9607   7.8965 -15.6695   9.2888   36.296   12.274   19.950   9.7150 16.34576 15.65368 
1 1 1   12   19    2 o  121.159   4.5171  110.382   8.1599  123.716   10.902   93.399   12.304  127.939   5.7155  110.377   7.5213 17.56260 9.446474 
1 1 1   12   19    3 o  111.496   7.6411   95.414   12.626   95.414   12.626   0.0000   0.0000  111.496   7.6411  ?   ?  0.000000 7.641128 
1 1 1   12   19    4 o   33.515   7.9380   8.9390   3.9055   13.701   7.7229   7.3027   4.5270   41.071   11.914   30.536   9.1910 10.53500 15.04742 
1 1 1   12   19    5 o   61.025   3.3031   27.983   2.9942   29.292   7.7700   27.755   3.2448   61.043   8.7908   60.729   3.5996 0.3134270 9.499198 
1 1 1   12   19    6 o   83.741   2.8234   52.486   3.5252   40.920   7.5406   55.721   3.9878   72.883   7.0263   86.248   3.1011 -13.36472 7.680186 
1 1 1   12   19    7 o   40.330   6.9851   12.781   4.0481   11.029   7.2991   13.560   4.8647   37.063   11.761   41.222   8.2038 -4.158318 14.33993 
1 1 1   12   19    8 o  100.134   3.0649   75.204   4.5758   73.647   9.0586   75.737   5.3020   97.984   6.2330  100.387   3.5424 -2.402397 7.169289 
1 1 1   12   19    9 o  138.605   4.4448  145.437   9.1855  159.604   15.065  137.052   11.589  143.557   7.0382  133.829   5.8080 9.727295 9.125200 
1 1 1   12   19   10 o   41.199   6.1338   13.375   3.6529   24.826   7.3760   9.6544   4.2048   54.799   9.3640   34.195   8.3253 20.60470 12.52977 
1 1 1   12   19   11 o   60.170   4.3272   27.780   3.8561   24.199   7.6969   28.980   4.4556   52.955   10.117   61.210   4.9238 -8.255016 11.25187 
1 1 1   12   19   12 o   17.862   7.5213   0.8723   3.4128  -1.3505   6.2014   1.8378   4.0874   20.730   9.3755   20.333   8.3688 0.3967457 12.56727 
1 1 1   12   19   13 o   59.287   4.4219   27.437   3.8807   24.925   7.3070   28.424   4.5799   52.320   9.7249   59.855   5.1832 -7.534527 11.01999 
1 1 1   12   19   14 o   20.442   8.0216   2.9378   3.5677  -4.1240   6.4312   6.0771   4.2880   18.433   8.7373   25.846   9.0338 -7.413597 12.56777 
1 1 1   12   20    0 o   22.990   14.209   3.3522   9.6035   3.3522   9.6035   3.3522   9.6035   22.990   14.209   22.990   14.209 0.000000 0.000000 
1 1 1   12   20    1 o  105.848   4.9205   84.487   7.7653   78.943   10.131   92.384   12.091  101.606   6.7255  109.650   7.4396 -8.044052 10.02898 
1 1 1   12   20    2 o   67.308   7.3372   35.030   7.2439   36.271   9.2010   33.007   11.749   67.773   9.3550   63.081   12.926 4.692291 15.95625 
1 1 1   12   20    3 f   20.153   9.1990  -3.5398   6.1432 -13.3914   7.5077   16.422   10.687   17.664   8.6308   44.639   14.238 -26.97463 16.65005 
1 1 1   12   20    4 o   85.392   3.9343   54.801   5.0090   40.525   9.0853   61.036   6.0039   71.877   8.6515   90.012   4.4736 -18.13524 9.739685 
1 1 1   12   20    5 o  108.339   2.4432   87.795   3.9465   76.439   9.5272   90.147   4.3360   99.908   6.4300  109.748   2.6498 -9.840233 6.954596 
1 1 1   12   20    6 o   17.992   7.1586   1.3824   2.8781  -3.6576   7.1799   2.3473   3.1416   21.879   9.9706   20.155   7.6253 1.723852 12.55219 
1 1 1   12   20    7 o   39.917   7.0099   12.620   4.0198   18.671   7.1935   9.8719   4.8472   47.417   10.456   34.721   9.2115 12.69522 13.93502 
1 1 1   12   20    8 o   30.526   7.9658   7.5874   3.6639   7.6049   11.322   7.5854   3.8723   35.012   14.106   30.494   8.2963 4.518707 16.36495 
1 1 1   12   20    9 o   31.368   8.8511   8.1848   4.3198  -0.6156   6.7860   14.181   5.6013   22.910   10.120   41.057   9.3584 -18.14694 13.78391 
1 1 1   12   20   10 o   13.576   6.3942  -3.2414   3.3445 -13.2053   6.9802  -0.2723   3.8103   16.249   8.0152   17.519   7.6658 -1.269512 11.09090 
1 1 1   12   20   11 o   54.183   4.5126   22.797   3.6124   23.046   7.0669   22.709   4.2031   51.144   9.6207   53.666   5.3231 -2.521980 10.99517 
1 1 1   12   20   12 o   29.195   7.6846   7.4195   3.3907   1.1134   6.1052   10.232   4.0773   22.087   9.6829   34.109   8.1322 -12.02193 12.64487 
1 1 1   12   20   13 o   39.331   6.5858   13.103   3.7254   10.591   6.3778   14.405   4.5899   32.025   11.027   40.241   7.9320 -8.216244 13.58371 
1 1 1   12   21    0 o   57.695   13.450   29.236   10.060   29.236   10.060   29.236   10.060   57.695   13.450   57.695   13.450 0.000000 0.000000 
1 1 1   12   21    1 o   71.211   7.0904   39.250   7.4280   50.228   10.406   27.844   10.607   79.853   8.8910   57.542   12.703 22.31016 15.50528 
1 1 1   12   21    2 o   19.209   9.0153  -6.1051   6.5449 -15.9801   8.0478   13.182   11.247   17.618   8.6739   40.998   14.603 -23.38047 16.98492 
1 1 1   12   21    3 o   21.236   9.5415  -2.3210   6.3016   3.1158   7.6945 -13.3948   10.981   28.106   11.515   23.128   11.088 4.977915 15.98534 
1 1 1   12   21    4 o   74.531   4.3771   42.077   4.8427   40.885   8.4722   42.655   5.9019   72.150   8.0109   74.761   5.3296 -2.611259 9.621819 
1 1 1   12   21    5 o   66.134   2.8085   32.794   2.7693   26.087   8.1907   33.660   2.9426   56.405   10.111   66.982   2.9465 -10.57701 10.53131 
1 1 1   12   21    6 o   63.205   3.6153   30.197   3.3928   26.137   7.8842   31.120   3.7587   56.430   9.7217   64.081   3.9533 -7.651100 10.49480 
1 1 1   12   21    7 o   35.184   7.5077   10.054   3.8184   10.319   7.1926   9.9501   4.5058   35.126   11.715   34.638   8.7282 0.4873543 14.60882 
1 1 1   12   21    8 o   45.544   5.1357   16.120   3.4265   21.041   7.3091   14.734   3.8792   49.505   10.240   43.116   6.2139 6.389690 11.97814 
1 1 1   12   21    9 o   64.754   4.8209   32.475   4.6210   44.790   7.9867   26.277   5.6657   74.413   7.2923   57.172   6.7787 17.24097 9.956345 
1 1 1   12   21   10 o   41.012   5.7592   13.501   3.4245   21.984   7.2727   11.084   3.8818   49.245   10.239   36.263   7.4294 12.98217 12.65053 
1 1 1   12   21   11 o   50.923   5.2916   20.718   3.9589   10.388   6.7561   26.120   4.8856   32.493   11.340   56.824   5.8502 -24.33152 12.76046 
1 1 1   12   21   12 o   45.540   5.6300   16.984   3.7413   19.762   6.7814   15.769   4.4858   44.751   10.367   42.606   7.3256 2.144470 12.69408 
1 1 1   12   21   13 o   13.072   6.2396  -3.3057   3.3977   1.7084   6.6797  -5.0558   3.9464   21.823   9.8129   13.191   6.4026 8.632644 11.71688 
1 1 1   12   22    0 o   12.993   9.4030 -18.2092   9.6394 -18.2092   9.6394 -18.2092   9.6394   12.993   9.4030   12.993   9.4030 0.000000 0.000000 
1 1 1   12   22    1 o   70.596   7.3477   39.020   7.6206   35.692   10.206   43.214   11.456   65.741   10.787   72.347   10.965 -6.605728 15.38084 
1 1 1   12   22    2 o   34.210   11.334   9.4370   6.7366   5.8670   8.6301   15.005   10.778   31.449   12.433   41.958   14.339 -10.50869 18.97847 
1 1 1   12   22    3 o   97.552   5.0783   72.626   7.3608   85.776   9.5735   53.610   11.512  105.502   6.1123   81.292   9.6888 24.20902 11.45570 
1 1 1   12   22    4 o   66.314   4.7587   33.602   4.6738   33.566   8.4135   33.618   5.6209   64.337   9.0187   65.956   5.7740 -1.619270 10.70868 
1 1 1   12   22    5 o   48.001   3.2437   17.432   2.3079   22.627   7.7019   16.919   2.4190   51.732   10.347   47.240   3.4585 4.492123 10.90967 
1 1 1   12   22    6 o   56.124   3.8631   23.984   3.2129   17.737   7.5267   25.376   3.5529   44.860   11.268   57.641   4.1621 -12.78144 12.01225 
1 1 1   12   22    7 o   78.600   3.4673   46.797   4.0634   48.092   13.121   46.660   4.2735   72.536   12.588   78.415   3.6552 -5.878830 13.10832 
1 1 1   12   22    8 o   19.653   7.5406   2.4229   3.0992   14.751   6.9714  -0.6137   3.4600   39.787   11.250   16.225   7.1936 23.56233 13.35349 
1 1 1   12   22    9 o   45.431   8.1349   17.722   5.3079   0.0000   0.0000   17.722   5.3079  ?   ?    45.431   8.1349 0.000000 8.134864 
1 1 1   12   22   10 o   48.936   4.9625   19.053   3.5707   11.696   6.6103   22.084   4.2430   34.044   11.225   52.339   5.5205 -18.29498 12.50883 
1 1 1   12   22   11 o   24.061   8.5450   5.1151   3.8482   7.5953   6.7640   3.9281   4.6793   27.983   11.025   22.766   9.1049 5.217072 14.29823 
1 1 1   12   22   12 o   13.263   6.2856  -2.7857   3.3258  -2.3270   6.4942  -2.9488   3.8721   18.924   8.9124   14.343   6.7933 4.580876 11.20626 
1 1 1   12   23    0 o   32.489   16.095   12.651   9.3934   12.651   9.3934   12.651   9.3934   32.489   16.095   32.489   16.095 0.000000 0.000000 
1 1 1   12   23    1 o   25.845   10.467   3.3337   6.2698   8.2096   8.4721  -2.5700   9.3224   33.072   12.520   25.282   11.459 7.789356 16.97225 
1 1 1   12   23    2 o   45.578   10.374   17.794   6.8914   12.119   9.0664   25.558   10.605   37.484   13.134   52.778   13.441 -15.29432 18.79252 
1 1 1   12   23    3 o   22.260   9.8339  -0.5736   6.4092   1.8545   8.2616  -4.2436   10.157   26.788   11.505   25.244   11.636 1.543907 16.36342 
1 1 1   12   23    4 o   44.641   9.6517   17.038   6.2368   17.710   7.7969   15.845   10.393   44.358   11.642   41.025   14.079 3.333794 18.26932 
1 1 1   12   23    5 o   14.602   5.8093   0.9631   1.8953   8.1990   7.7044   0.4970   1.9554   31.780   11.960   13.876   5.7568 17.90399 13.27346 
1 1 1   12   23    6 o   49.788   3.8153   19.012   2.8107   16.867   12.194   19.133   2.8884   40.218   15.064   49.910   3.9129 -9.692463 15.56364 
1 1 1   12   23    7 o   44.176   5.1658   15.447   3.3382   12.671   8.9411   15.897   3.5984   35.646   12.978   44.641   5.5244 -8.995262 14.10511 
1 1 1   12   23    8 o   34.258   6.5791   9.8222   3.2383   19.175   6.6347   6.8974   3.7103   45.316   10.080   27.922   8.3020 17.39429 13.05877 
1 1 1   12   23    9 o   40.311   8.8290   14.901   5.1596   0.0000   0.0000   14.901   5.1596  ?   ?    40.311   8.8290 0.000000 8.829046 
1 1 1   12   23   10 o   19.383   7.7335   2.5264   3.3675   7.8469   6.6386   0.6831   3.9076   27.914   10.946   17.818   7.7807 10.09654 13.42949 
1 1 1   12   23   11 o   31.102   8.4453   9.4346   4.0172   11.142   6.8750   8.5496   4.9503   30.569   11.338   28.477   9.7179 2.091616 14.93299 
1 1 1   12   24    0 o   37.749   16.804   17.024   10.019   17.024   10.019   17.024   10.019   37.749   16.804   37.749   16.804 0.000000 0.000000 
1 1 1   12   24    1 o   28.251   10.721   6.0247   6.2224   7.9111   8.2778   3.5740   9.4348   31.618   12.271   28.686   12.307 2.931684 17.37930 
1 1 1   12   24    2 o   18.238   8.9617 -13.9868   8.4544 -13.9868   8.4544   0.0000   0.0000   18.238   8.9617  ?   ?  0.000000 8.961745 
1 1 1   12   24    3 o   23.780   10.978  -3.0227   9.0932   0.0000   0.0000  -3.0227   9.0932  ?   ?    23.780   10.978 0.000000 10.97792 
1 1 1   12   24    4 o   34.699   11.281   11.279   6.6857   3.8047   7.4961   40.354   14.784   26.502   11.153   59.720   16.195 -33.21751 19.66374 
1 1 1   12   24    5 o   47.968   2.8808   17.492   2.0508   0.0000   0.0000   17.492   2.0508  ?   ?    47.968   2.8808 0.000000 2.880806 
1 1 1   12   24    6 o   64.266   3.3816   31.652   3.2288   27.069   7.0976   32.848   3.6257   55.221   8.9250   65.275   3.7410 -10.05383 9.677376 
1 1 1   12   24    7 o   14.125   6.3972  -0.9881   2.8987  -1.5106   6.4711  -0.8569   3.2421   20.230   9.3109   15.098   6.8081 5.132307 11.53442 
1 1 1   12   24    8 o   25.329   7.9008   5.7979   3.3075   7.1618   7.2751   5.4425   3.7135   27.563   11.234   24.582   8.4167 2.980749 14.03698 
1 1 1   12   24    9 o   23.294   9.0792   4.7485   4.5464   20.673   11.041   1.4973   4.9889   37.241   14.246   19.961   8.7520 17.28044 16.71957 
1 1 1   12   24   10 o   22.816   7.9201   4.9047   3.2932   4.7661   6.3385   4.9559   3.8541   23.442   10.073   22.886   8.4892 0.5563793 13.17325 
1 1 1   12   25    0 o   31.747   15.359   12.763   8.4734   12.763   8.4734   12.763   8.4734   31.747   15.359   31.747   15.359 0.000000 0.000000 
1 1 1   12   25    1 o   39.239   12.666   16.082   8.4380   0.0000   0.0000   16.082   8.4380  ?   ?    39.239   12.666 0.000000 12.66636 
1 1 1   12   25    4 o   23.221   10.146   2.1072   6.6537   0.3366   10.955   3.1421   8.3755   25.835   11.970   25.543   11.265 0.2915421 16.43706 
1 1 1   12   25    5 f   9.3836   4.2929  -0.7878   1.3475   2.6850   6.6623  -0.9359   1.3759   23.427   10.196   9.2860   4.2810 14.14050 11.05860 
1 1 1   12   25    6 o   12.814   5.9026  -1.3919   2.6080   0.8589   6.2986  -1.8577   2.8651   21.277   9.5510   13.046   6.0707 8.230405 11.31697 
1 1 1   12   25    7 o   30.892   6.8365   8.4439   3.0655   7.1632   6.9201   8.7566   3.4193   26.781   10.940   30.999   7.4833 -4.217693 13.25473 
1 1 1   12   25    8 o   15.794   6.9146   0.4517   3.1039  -4.1731   6.0236   2.1237   3.6218   17.096   8.2002   18.704   7.8035 -1.607889 11.31980 
1 1 1   12   25    9 o   20.161   7.8269   3.5327   3.3684   6.9227   6.5430   2.3103   3.9291   24.935   10.452   18.917   8.0236 6.017633 13.17696 
1 1 1   12   26    0 o   14.919   10.795 -19.7343   12.667 -19.7343   12.667 -19.7343   12.667   14.919   10.795   14.919   10.795 0.000000 0.000000 
1 1 1   12   26    1 o   24.613   11.109   2.4675   8.6544  -3.6032   11.958   9.1440   12.541   24.108   11.561   30.091   13.494 -5.982891 17.76935 
1 1 1   12   26    2 o   34.909   11.729   13.625   7.2101   19.271   12.900   11.060   8.6951   36.109   14.865   31.187   12.432 4.921291 19.37844 
1 1 1   12   26    3 o   22.049   9.8807   1.4974   6.7102   25.785   12.740  -7.8265   7.8938   40.823   15.377   18.413   8.9642 22.40994 17.79889 
1 1 1   12   26    4 o   29.416   10.093   9.0048   5.3401   14.901   7.3577   2.4414   7.7625   35.636   11.847   23.350   10.531 12.28633 15.85097 
1 1 1   12   26    5 o   35.765   6.6906   11.258   3.4366   24.166   7.0116   7.1763   3.9426   48.647   10.001   27.056   8.6502 21.59181 13.22293 
1 1 1   12   26    6 o   42.065   4.7104   14.465   2.9035   9.5900   6.9083   15.511   3.1999   28.319   11.147   43.295   5.0521 -14.97552 12.23800 
1 1 1   12   26    7 o   11.920   5.5617  -1.4966   2.4312  -0.6196   6.5319  -1.6377   2.6194   19.215   9.0144   12.279   5.7438 6.936308 10.68876 
1 1 1   12   27    0 o   46.421   12.934   21.918   7.7445   21.918   7.7445   21.918   7.7445   46.421   12.934   46.421   12.934 0.000000 0.000000 
1 1 1   12   27    1 o   33.024   10.300   12.125   5.6216   9.0760   7.7710   15.473   8.1423   27.678   11.479   33.968   12.382 -6.289566 16.88461 
1 1 1   12   27    2 o   32.728   10.060   11.806   5.3848   15.074   7.8645   8.9210   7.3884   33.611   12.182   27.430   11.266 6.181364 16.59287 
1 1 1   12   27    3 o   19.857   8.8133   1.7935   5.2064   1.8183   7.3503   1.7685   7.3758   21.622   9.9411   21.608   9.9434 0.1413155E-01 14.06048 
1 1 1   12   27    4 o   28.391   10.044   9.3347   5.3121   13.861   7.3723   4.4470   7.6608   31.848   11.755   23.175   10.456 8.673109 15.73283 
1 1 1   12   27    5 o   25.436   9.8263   7.5048   5.2889   17.203   7.3861  -2.7011   7.5768   35.142   11.871   18.827   9.0729 16.31522 14.94112 
1 1 1   12   28    0 o   21.256   12.974   6.2246   7.7827   6.2246   7.7827   6.2246   7.7827   21.256   12.974   21.256   12.974 0.000000 0.000000 
1 1 1   12   28    1 o   21.316   9.0932   4.3221   5.0983   6.0351   7.1929   2.5926   7.2274   23.172   10.318   20.891   9.6942 2.280960 14.15741 
1 1 1   12   28    2 o   31.379   10.064   12.198   5.3338   12.750   7.5400   11.646   7.5464   28.596   11.515   27.524   11.355 1.072533 16.17172 
1 1 1   12   28    3 o   28.070   10.012   10.175   5.2884   16.335   7.5433   4.2214   7.4162   31.950   11.871   21.544   9.9346 10.40561 15.47984 
1 1 1   13    1    0 o  386.785   3.0475  1115.62   17.572  1115.62   17.572  1115.62   17.572  386.785   3.0475  386.785   3.0475 0.000000 0.000000 
1 1 1   13    1    1 o  369.462   2.1091  1017.74   11.618  1027.51   16.386  1007.86   16.476  371.209   2.9606  367.640   3.0058 3.569061 4.218995 
1 1 1   13    1    2 o  176.141   1.7730  231.312   4.6564  230.925   6.3221  231.771   6.8840  175.987   2.4094  176.306   2.6188 -0.3193970 3.558568 
1 1 1   13    1    3 o  420.829   2.4969  1320.47   15.667  1308.73   19.851  1339.85   25.512  418.931   3.1781  423.846   4.0370 -4.915070 5.137913 
1 1 1   13    1    4 o  325.972   2.0132  792.229   9.7846  803.368   13.998  781.587   13.683  328.236   2.8603  323.756   2.8345 4.479340 4.026863 
1 1 1   13    1    5 o  132.898   2.1481  131.685   4.2564  132.783   5.7516  130.355   6.3285  133.443   2.8908  132.214   3.2103 1.229126 4.320103 
1 1 1   13    1    6 f  128.765   2.4624  123.630   4.7275  125.889   7.7110  122.270   5.9841  129.914   3.9809  128.047   3.1345 1.867661 5.066790 
1 1 1   13    1    7 o  212.364   2.0198  336.258   6.3952  339.051   9.1382  333.578   8.9530  213.226   2.8744  211.499   2.8392 1.726913 4.040197 
1 1 1   13    1    8 o  411.999   2.3797  1265.79   14.618  1234.40   20.345  1299.30   21.018  406.798   3.3543  417.353   3.3777 -10.55530 4.760273 
1 1 1   13    1    9 o  140.178   2.2897  146.540   4.7854  144.223   6.9006  148.688   6.6420  139.036   3.3288  141.178   3.1555 -2.141357 4.586718 
1 1 1   13    1   10 o  247.960   1.9705  458.527   7.2849  453.362   11.267  462.238   9.5496  246.496   3.0657  248.930   2.5730 -2.433868 4.002349 
1 1 1   13    1   11 o  151.044   2.2595  170.185   5.0884  167.814   7.2709  172.462   7.1236  149.937   3.2524  152.006   3.1432 -2.068954 4.523038 
1 1 1   13    1   12 o  132.531   2.0851  131.028   4.1202  139.437   7.0927  126.745   5.0618  136.637   3.4815  130.323   2.6051 6.314301 4.348272 
1 1 1   13    1   13 o   54.954   4.0596   22.704   3.3027   21.358   5.1214   23.662   4.3213   52.907   6.6385   55.956   5.2407 -3.048557 8.457794 
1 1 1   13    1   14 o   56.620   4.3149   24.134   3.6152   25.606   7.1405   23.627   4.1922   57.546   8.5850   55.912   5.0843 1.633629 9.977617 
1 1 1   13    1   15 o  275.968   2.2399  568.459   9.2163  570.691   17.674  567.626   10.801  276.051   4.2942  275.702   2.6276 0.3491211 5.034348 
1 1 1   13    1   16 o  139.515   2.5251  145.383   5.2527  152.112   8.8395  141.710   6.5307  142.474   4.1612  137.664   3.1818 4.810043 5.238258 
1 1 1   13    1   17 o   43.502   5.9683   14.573   3.7691   19.420   6.3135   11.889   4.6981   49.545   8.8725   38.662   8.3910 10.88320 12.21189 
1 1 1   13    1   18 o   69.760   3.6849   36.698   3.8191   34.669   6.6842   37.682   4.6535   66.884   6.7973   70.509   4.4494 -3.624916 8.124025 
1 1 1   13    1   19 o   31.635   6.8445   8.0836   3.1346   8.2732   5.6577   7.9996   3.7653   31.735   10.381   31.178   8.0458 0.5576553 13.13372 
1 1 1   13    1   20 o   21.803   7.9703   3.3785   3.3771   6.6334   5.2982   1.1512   4.3828   28.514   10.037   20.196   8.5149 8.317287 13.16234 
1 1 1   13    2    0 o  251.390   3.4317  471.463   12.857  471.463   12.857  471.463   12.857  251.390   3.4317  251.390   3.4317 0.000000 0.000000 
1 1 1   13    2    1 o  149.410   2.8129  166.456   6.2662  168.429   7.8891  163.082   10.314  150.283   3.5208  147.858   4.6786 2.424957 5.855376 
1 1 1   13    2    2 o  692.104   3.2301  3572.03   33.332  3576.79   47.034  3567.22   47.244  692.462   4.5556  691.533   4.5821 0.9295654 6.461339 
1 1 1   13    2    3 o  126.883   1.9518  120.033   3.6924  123.875   5.1034  115.812   5.3489  128.892   2.6556  124.624   2.8787 4.267624 3.916500 
1 1 1   13    2    4 o  115.039   2.0474   98.670   3.5117  103.003   4.9945   94.434   4.9386  117.531   2.8502  112.535   2.9434 4.995590 4.097164 
1 1 1   13    2    5 o  260.039   2.3578  504.194   9.1414  512.396   10.760  482.922   17.329  262.137   2.7531  254.431   4.5681 7.706482 5.333615 
1 1 1   13    2    6 o  166.826   2.0308  207.506   5.0512  213.177   7.3103  202.325   6.9875  169.076   2.8999  164.717   2.8452 4.358826 4.062563 
1 1 1   13    2    7 o  157.512   2.0978  184.992   4.9266  190.335   7.1464  180.153   6.8011  159.753   3.0003  155.423   2.9349 4.330124 4.197078 
1 1 1   13    2    8 o  187.248   2.2932  261.461   6.4023  262.579   8.2270  259.745   10.195  187.629   2.9409  186.587   3.6645 1.041840 4.698667 
1 1 1   13    2    9 o   58.700   3.8678   25.829   3.3662   28.536   5.2022   23.880   4.4150   61.524   5.7374   56.285   5.3243 5.239037 7.827249 
1 1 1   13    2   10 o  213.555   1.9672  340.122   6.2636  341.868   9.7263  338.885   8.1872  214.041   3.0478  213.135   2.5764 0.9060059 3.990823 
1 1 1   13    2   11 o  232.434   2.1413  403.002   7.4207  418.444   10.987  390.048   10.063  236.765   3.1123  228.605   2.9523 8.159805 4.289855 
1 1 1   13    2   12 o  153.700   2.3235  176.266   5.3247  170.518   9.5312  178.874   6.4199  151.021   4.2329  154.804   2.7815 -3.783508 5.065020 
1 1 1   13    2   13 o  139.942   2.5047  146.173   5.2260  152.973   7.7239  140.432   7.0971  143.064   3.6210  137.089   3.4722 5.975693 5.016807 
1 1 1   13    2   14 o   45.483   4.9970   15.694   3.3328   12.475   5.3111   17.784   4.2805   39.757   9.1497   48.267   6.0832 -8.509670 10.98737 
1 1 1   13    2   15 o   89.148   3.0615   59.390   4.0693   59.352   6.7658   59.412   5.0937   88.780   5.1332   89.103   3.8341 -0.3231277 6.407021 
1 1 1   13    2   16 o   89.116   3.2050   59.401   4.2585   54.034   7.0246   62.519   5.3547   84.529   5.6055   91.350   3.9315 -6.820404 6.846780 
1 1 1   13    2   17 o   58.737   4.6837   26.139   4.0677   31.143   6.3383   22.635   5.3040   63.626   6.7862   54.157   6.7126 9.468567 9.545211 
1 1 1   13    2   18 o   59.564   4.1452   26.899   3.6583   28.508   6.2446   26.059   4.5140   60.400   7.0678   58.328   5.2467 2.072163 8.802419 
1 1 1   13    2   19 o   28.120   7.4289   6.4708   3.1613   3.3839   5.7245   7.8253   3.7919   25.122   10.062   30.750   8.1422 -5.628605 12.94390 
1 1 1   13    2   20 o   79.469   3.4758   47.956   4.1184   46.861   6.6799   48.628   5.2309   77.087   5.8556   79.459   4.4330 -2.371658 7.344394 
1 1 1   13    3    0 o   17.956   9.6044   3.4357   3.5160   3.4357   3.5160   3.4357   3.5160   17.956   9.6044   17.956   9.6044 0.000000 0.000000 
1 1 1   13    3    1 o  116.158   2.2223  100.602   3.8489   99.154   4.7303  103.438   6.6206  115.315   2.7513  117.768   3.7705 -2.453018 4.667564 
1 1 1   13    3    2 o  539.611   2.9639  2171.28   23.846  2249.37   39.415  2126.20   29.949  549.109   4.8143  533.936   3.7620 15.17285 6.109856 
1 1 1   13    3    3 o   62.152   2.9940   28.806   2.7745   28.388   3.7340   29.320   4.1457   61.557   4.0917   62.535   4.4760 -0.9777527 6.064360 
1 1 1   13    3    4 o  458.516   2.6257  1567.63   17.950  1567.94   23.457  1567.20   27.884  458.526   3.4311  458.382   4.0799 0.1435852 5.330863 
1 1 1   13    3    5 o  276.625   2.5057  570.586   10.334  580.072   14.399  560.509   14.841  278.887   3.4629  274.138   3.6310 4.748932 5.017523 
1 1 1   13    3    6 o  563.968   2.8189  2371.88   23.703  2401.53   33.968  2343.74   33.093  567.385   4.0153  560.523   3.9597 6.862488 5.639354 
1 1 1   13    3    7 o  224.312   2.0189  375.178   6.7520  384.204   9.7130  366.738   9.3926  226.969   2.8702  221.751   2.8409 5.218048 4.038409 
1 1 1   13    3    8 o  338.325   2.1799  853.588   10.996  869.963   19.167  845.554   13.425  341.445   3.7650  336.701   2.6742 4.743591 4.618064 
1 1 1   13    3    9 o  235.160   2.0873  412.417   7.3184  410.070   10.443  414.682   10.259  234.442   2.9876  235.761   2.9186 -1.319031 4.176558 
1 1 1   13    3   10 o  224.683   2.1094  376.537   7.0665  387.384   12.760  371.739   8.4868  227.768   3.7573  223.220   2.5500 4.547592 4.540933 
1 1 1   13    3   11 o  127.493   2.2368  121.262   4.2519  120.702   6.8536  121.613   5.4213  127.123   3.6159  127.648   2.8485 -0.5248566 4.603155 
1 1 1   13    3   12 o   43.254   5.1817   14.210   3.2752   19.484   6.2858   12.245   3.8372   50.093   8.7336   39.843   6.6971 10.25066 11.00574 
1 1 1   13    3   13 o  147.875   2.4611  163.222   5.4262  160.578   7.8631  165.625   7.4976  146.567   3.5982  148.877   3.3777 -2.309570 4.935195 
1 1 1   13    3   14 o   65.763   3.9004   32.471   3.8073   18.983   5.7598   42.938   5.0738   49.460   8.0904   75.573   4.5238 -26.11263 9.269246 
1 1 1   13    3   15 o   79.383   3.2958   47.118   3.9008   50.781   6.3550   44.903   4.9412   82.066   5.2209   77.296   4.3046 4.770393 6.766613 
1 1 1   13    3   16 f  107.038   3.0248   85.687   4.8273   77.880   8.5803   89.302   5.8390  101.479   5.6939  109.202   3.5862 -7.722763 6.729151 
1 1 1   13    3   17 o   33.367   8.3798   8.9217   4.1632   6.4804   6.2112   10.913   5.6098   30.377   10.849   36.717   9.9840 -6.340075 14.74363 
1 1 1   13    3   18 o   83.737   3.1907   52.698   3.9836   52.256   6.6502   52.945   4.9749   82.590   5.4309   83.744   3.9844 -1.153816 6.735686 
1 1 1   13    3   19 f   80.524   3.4820   49.032   4.1804   48.153   6.5389   49.641   5.4366   78.741   5.6064   80.503   4.5480 -1.762177 7.219163 
1 1 1   13    3   20 o   34.586   6.2765   9.7390   3.1174   11.417   5.3741   8.8878   3.8271   35.712   9.7976   32.265   7.9960 3.447464 12.64629 
1 1 1   13    4    0 o   35.497   7.6201   10.598   3.5406   10.598   3.5406   10.598   3.5406   35.497   7.6201   35.497   7.6201 0.000000 0.000000 
1 1 1   13    4    1 o  423.726   2.3419  1338.71   14.795  1333.48   20.389  1344.52   21.502  422.865   3.2339  424.603   3.3965 -1.738312 4.689810 
1 1 1   13    4    2 o  328.456   2.0389  804.356   9.9847  829.693   14.250  779.920   13.994  333.568   2.8652  323.407   2.9023 10.16110 4.078319 
1 1 1   13    4    3 o  651.562   4.3693  3166.89   42.446  3166.89   42.446   0.0000   0.0000  651.562   4.3693  ?   ?  0.000000 4.369258 
1 1 1   13    4    4 o  182.904   2.0940  249.435   5.7105  271.693   9.1910  235.441   7.2878  190.870   3.2296  177.689   2.7508 13.18039 4.242365 
1 1 1   13    4    5 o  158.861   2.0309  188.168   4.8103  194.917   6.8853  181.733   6.7232  161.671   2.8564  156.107   2.8886 5.563980 4.062357 
1 1 1   13    4    6 o   93.502   2.3948   65.193   3.3386   71.251   5.3243   61.267   4.2859   97.732   3.6539   90.633   3.1716 7.098686 4.838408 
1 1 1   13    4    7 o  154.918   2.1108  178.962   4.8754  180.101   6.9377  177.852   6.8528  155.389   2.9945  154.416   2.9765 0.9729309 4.222185 
1 1 1   13    4    8 o  242.752   2.0359  439.448   7.3686  437.466   12.699  440.454   9.0477  242.125   3.5176  243.009   2.4972 -0.8843536 4.313832 
1 1 1   13    4    9 o  241.816   2.1058  436.124   7.5921  445.098   10.926  427.744   10.558  244.234   3.0003  239.429   2.9575 4.805450 4.212903 
1 1 1   13    4   10 o  198.861   2.1560  294.986   6.3924  293.250   9.1305  296.655   8.9526  198.212   3.0896  199.365   3.0118 -1.153427 4.314679 
1 1 1   13    4   11 o  169.154   2.0718  213.451   5.2252  207.090   8.1611  217.870   6.8021  166.529   3.2869  170.858   2.6702 -4.328812 4.234828 
1 1 1   13    4   12 o   79.044   3.4740   46.684   4.0942   43.213   6.5775   48.880   5.2311   75.666   5.8764   80.712   4.3631 -5.046440 7.319116 
1 1 1   13    4   13 o  186.257   2.5263  258.992   7.0156  261.025   11.212  257.683   8.9939  186.782   4.0260  185.699   3.2484 1.082352 5.173072 
1 1 1   13    4   14 o   59.720   4.4605   26.869   3.9430   26.981   5.4952   26.750   5.6611   59.540   6.2852   59.237   6.5176 0.3030777 9.054371 
1 1 1   13    4   15 o   87.581   3.4131   57.377   4.4569   69.714   7.1868   49.668   5.6813   96.218   5.0271   81.226   4.7114 14.99184 6.889784 
1 1 1   13    4   16 o  116.167   3.1274  100.985   5.4166  108.832   9.4143   97.101   6.6226  120.182   5.2539  113.791   3.9035 6.390541 6.545263 
1 1 1   13    4   17 o   81.726   3.6600   50.174   4.4598   51.658   6.9320   49.126   5.8256   82.301   5.6840   80.490   4.8773 1.811485 7.489696 
1 1 1   13    4   18 o   40.933   6.1775   13.172   3.6529   20.320   6.9427   10.436   4.2955   49.453   9.7625   35.698   8.2378 13.75541 12.77372 
1 1 1   13    4   19 o   53.790   4.7735   22.363   3.7885   22.780   5.9377   22.076   4.9201   52.826   7.7711   52.721   6.3898 0.1049423 10.06075 
1 1 1   13    4   20 o   14.913   6.7493  -1.2323   3.2199   8.9194   6.6711  -4.3155   3.6765   31.419   11.241   13.504   6.4584 17.91512 12.96402 
1 1 1   13    5    0 o  306.673   2.8399  701.390   12.983  701.390   12.983  701.390   12.983  306.673   2.8399  306.673   2.8399 0.000000 0.000000 
1 1 1   13    5    1 o  497.711   2.5940  1847.12   19.250  1790.43   25.899  1917.10   28.775  489.964   3.5452  506.983   3.8067 -17.01920 5.201849 
1 1 1   13    5    2 o  154.814   2.4927  178.714   5.7536  167.129   9.3228  185.841   7.3124  149.682   4.1774  157.861   3.1068 -8.178818 5.206026 
1 1 1   13    5    3 o  367.549   3.0685  1007.46   16.816  989.247   31.524  1014.70   19.880  364.047   5.8078  368.843   3.6150 -4.795746 6.840977 
1 1 1   13    5    4 o  342.042   2.1130  872.328   10.776  896.635   15.407  849.052   15.077  346.744   2.9801  337.417   2.9969 9.326752 4.226447 
1 1 1   13    5    5 o  135.859   1.9261  137.625   3.9016  131.469   5.9449  142.282   5.1711  132.769   3.0032  138.131   2.5109 -5.361191 3.914514 
1 1 1   13    5    6 o  291.951   1.8952  635.551   8.2496  626.289   12.485  642.729   10.991  289.776   2.8898  293.572   2.5109 -3.796143 3.828258 
1 1 1   13    5    7 o  125.588   2.0787  117.618   3.8924  116.843   5.9724  118.189   5.1320  125.147   3.2008  125.878   2.7344 -0.7315674 4.209754 
1 1 1   13    5    8 o   18.312   7.2844   1.2823   2.9796  -5.1329   5.5643   3.8612   3.5280   18.158   8.4528   23.822   8.2017 -5.664379 11.77782 
1 1 1   13    5    9 o  212.160   2.0876  335.731   6.6035  341.296   9.4716  330.467   9.2112  213.855   2.9705  210.438   2.9358 3.417679 4.176468 
1 1 1   13    5   10 o  176.264   2.3883  231.806   6.2766  231.413   8.1906  232.365   9.7695  176.063   3.1202  176.373   3.7151 -0.3099518 4.851558 
1 1 1   13    5   11 o   82.303   2.8462   50.569   3.4926   52.584   5.5049   49.211   4.5185   83.729   4.4253   81.150   3.7345 2.578300 5.790538 
1 1 1   13    5   12 o   44.428   5.2604   15.002   3.4169   16.021   6.3514   14.587   4.0534   45.087   9.7332   43.594   6.4292 1.492851 11.66493 
1 1 1   13    5   13 o  126.189   2.8217  118.936   5.3089  133.850   8.7091  110.117   6.6971  133.690   4.3692  121.337   3.7019 12.35223 5.726626 
1 1 1   13    5   14 o   88.227   3.7720   58.250   4.9618   59.885   8.0732   57.258   6.2901   88.976   6.1229   87.230   4.8556 1.745468 7.814510 
1 1 1   13    5   15 o   37.759   7.2280   11.152   3.9210   12.671   5.4637   9.5402   5.6302   39.902   9.3475   34.839   10.192 5.063026 13.82933 
1 1 1   13    5   16 o  147.052   2.6478  161.701   5.8053  172.934   11.596  157.944   6.7061  151.436   5.1360  145.252   3.0965 6.183868 5.997237 
1 1 1   13    5   17 o   60.126   4.8145   27.526   4.2799   32.457   7.8542   25.444   5.1043   64.040   8.4308   57.442   6.0508 6.597115 10.37743 
1 1 1   13    5   18 o   85.473   3.1559   55.010   4.0218   50.582   6.6494   57.564   5.0503   80.956   5.5422   87.212   3.8839 -6.256752 6.767656 
1 1 1   13    5   19 o   49.516   5.0316   19.109   3.6631   25.970   7.1597   16.677   4.2633   55.461   8.9642   45.595   6.4514 9.865810 11.04435 
1 1 1   13    6    0 o   93.566   3.1798   65.502   4.4244   65.502   4.4244   65.502   4.4244   93.566   3.1798   93.566   3.1798 0.000000 0.000000 
1 1 1   13    6    1 o  394.571   3.2238  1161.09   18.966  1157.73   22.208  1170.15   36.453  393.970   3.7807  395.892   6.1757 -1.921478 7.241048 
1 1 1   13    6    2 o  176.024   1.8743  231.019   4.9190  239.180   6.8200  222.170   7.1015  179.096   2.5540  172.606   2.7595 6.489670 3.760019 
1 1 1   13    6    3 f  165.417   1.9313  204.019   4.7632  204.153   6.5681  203.870   6.9180  165.459   2.6624  165.341   2.8063 0.1178131 3.868289 
1 1 1   13    6    4 o  224.870   1.7568  377.024   5.8902  374.115   9.0235  379.184   7.7752  223.977   2.7021  225.501   2.3126 -1.523209 3.556595 
1 1 1   13    6    5 o  621.211   2.9957  2878.35   27.747  2878.09   39.595  2878.59   38.894  621.016   4.2763  621.081   4.2001 -0.6561279E-01 5.993985 
1 1 1   13    6    6 o   81.460   2.5129   49.491   3.0520   50.900   4.6647   48.436   4.0358   82.589   3.7882   80.573   3.3594 2.015465 5.063186 
1 1 1   13    6    7 o  263.037   2.0175  515.974   7.9125  522.628   13.642  512.600   9.7133  264.637   3.4574  262.151   2.4851 2.485168 4.257846 
1 1 1   13    6    8 o   95.598   2.6875   68.184   3.8307   58.483   7.0259   72.287   4.5696   88.272   5.3638   98.420   3.1140 -10.14781 6.202245 
1 1 1   13    6    9 o  100.771   2.8375   75.785   4.2633   82.526   6.8430   71.508   5.4502  105.079   4.3678   97.847   3.7359 7.231834 5.747562 
1 1 1   13    6   10 o  265.637   2.3708  526.514   9.3899  524.051   12.199  530.093   14.708  264.932   3.0884  266.365   3.7035 -1.433441 4.822296 
1 1 1   13    6   11 o  225.239   2.1778  378.545   7.3137  370.763   10.407  386.141   10.281  222.805   3.1327  227.391   3.0324 -4.586731 4.359950 
1 1 1   13    6   12 o  134.892   2.2808  135.805   4.5872  133.978   7.0796  137.128   6.0223  133.871   3.5469  135.491   2.9812 -1.620316 4.633370 
1 1 1   13    6   13 o   68.938   3.8427   35.672   3.9340   35.704   5.6697   35.643   5.4632   68.710   5.5827   68.686   5.3776 0.2395630E-01 7.751459 
1 1 1   13    6   14 o   78.104   3.6986   45.655   4.3071   47.849   6.2007   43.610   5.9873   79.632   5.2521   75.996   5.3176 3.635986 7.474045 
1 1 1   13    6   15 o   61.063   4.3402   28.122   3.9258   37.229   6.1818   21.966   5.0821   69.977   5.9825   53.505   6.5043 16.47162 8.837253 
1 1 1   13    6   16 o  165.105   2.6923  203.951   6.6276  225.366   12.707  195.948   7.7680  172.825   4.9312  161.707   3.2219 11.11829 5.890425 
1 1 1   13    6   17 o   37.550   7.0346   11.221   3.7936   10.972   7.1098   11.320   4.4855   36.461   11.612   37.346   8.2734 -0.8851128 14.25784 
1 1 1   13    6   18 o   63.691   4.0806   30.932   3.8547   40.173   7.5935   27.724   4.4739   71.000   7.2760   59.924   5.0546 11.07531 8.859440 
1 1 1   13    6   19 o   26.887   8.4437   6.0725   3.7705  -0.2634   6.3930   9.4520   4.6690   21.976   9.7591   32.891   9.1744 -10.91515 13.39437 
1 1 1   13    7    0 o  377.147   3.0918  1060.80   17.383  1060.80   17.383  1060.80   17.383  377.147   3.0918  377.147   3.0918 0.000000 0.000000 
1 1 1   13    7    1 o  226.304   2.2474  381.879   7.5830  377.266   13.175  384.165   9.2730  224.879   3.9293  226.967   2.7402 -2.088654 4.790441 
1 1 1   13    7    2 o  372.954   2.4707  1037.24   13.739  1073.87   17.422  977.008   22.342  379.450   3.0794  361.865   4.1410 17.58438 5.160533 
1 1 1   13    7    3 o  367.569   1.9893  1007.42   10.902  1016.90   16.874  1000.62   14.283  369.241   3.0651  366.299   2.6152 2.941620 4.029189 
1 1 1   13    7    4 o  161.400   1.7884  194.237   4.3036  194.358   6.6311  194.149   5.6568  161.429   2.7551  161.352   2.3514 0.7693481E-01 3.622110 
1 1 1   13    7    5 o  252.639   2.1436  475.974   8.0747  474.917   10.437  477.551   12.744  252.331   2.7742  252.997   3.3783 -0.6655426 4.371463 
1 1 1   13    7    6 o   35.700   5.6535   9.7595   2.9090   9.8149   3.8846   9.6888   4.3892   35.530   7.5650   35.244   8.4601 0.2858124 11.34910 
1 1 1   13    7    7 o  160.168   1.9304  191.320   4.6099  197.912   7.2754  186.898   5.9587  162.860   2.9962  158.285   2.5249 4.574921 3.918208 
1 1 1   13    7    8 o  129.033   2.3282  124.206   4.4790  127.160   8.5192  123.078   5.2655  130.444   4.3803  128.428   2.7499 2.015717 5.171911 
1 1 1   13    7    9 o  215.053   2.1069  345.005   6.7554  354.764   9.7409  335.962   9.3768  217.997   2.9969  212.145   2.9645 5.852234 4.215430 
1 1 1   13    7   10 o  150.894   2.1234  169.877   4.7771  169.676   7.2821  170.029   6.3295  150.724   3.2404  150.916   2.8130 -0.1916504 4.291049 
1 1 1   13    7   11 o  194.053   2.0516  280.972   5.9358  291.371   9.3284  273.897   7.6945  197.490   3.1680  191.533   2.6944 5.957809 4.158902 
1 1 1   13    7   12 o   74.371   3.1163   41.332   3.4555   44.280   5.4456   39.344   4.4710   76.709   4.7853   72.376   4.1607 4.332878 6.341167 
1 1 1   13    7   13 o  127.715   2.7545  121.851   5.2451  143.790   7.9528  104.962   6.9778  138.600   3.8485  118.404   3.9526 20.19566 5.516663 
1 1 1   13    7   14 o  124.407   2.6469  115.633   4.9097  119.351   7.7496  113.140   6.3456  126.194   4.1188  122.963   3.4612 3.231659 5.379988 
1 1 1   13    7   15 o   81.140   3.7686   49.363   4.5592   44.712   6.6003   53.607   6.3051   76.710   5.8141   84.220   5.0445 -7.509399 7.697385 
1 1 1   13    7   16 o   92.100   3.8301   63.771   5.2594   67.858   13.281   63.011   5.7276   92.454   9.7832   91.471   4.1997 0.9832230 10.64656 
1 1 1   13    7   17 o   71.841   4.0629   39.156   4.3340   48.332   8.5575   35.991   5.0263   78.337   7.4149   68.577   4.9492 9.760941 8.914873 
1 1 1   13    7   18 o   27.377   8.5466   6.1747   3.8695   11.997   7.1543   3.7673   4.6004   36.633   11.646   23.995   9.1916 12.63767 14.83646 
1 1 1   13    7   19 o   79.445   4.2022   48.652   4.9598   53.350   8.0022   45.720   6.3203   81.237   6.6654   76.037   5.6146 5.200165 8.715025 
1 1 1   13    8    0 o   27.454   14.504   8.1492   7.9342   8.1492   7.9342   8.1492   7.9342   27.454   14.504   27.454   14.504 0.000000 0.000000 
1 1 1   13    8    1 o  101.589   1.9918   76.954   3.0169   82.931   8.9350   76.185   3.2051  105.218   5.7170  101.078   2.1267 4.140213 6.099752 
1 1 1   13    8    2 o  199.876   1.7990  297.884   5.3611  302.755   7.7122  293.328   7.4577  201.483   2.5672  198.323   2.5221 3.160095 3.598847 
1 1 1   13    8    3 o  221.589   1.7069  366.117   5.6392  371.371   8.7753  362.421   7.3600  223.143   2.6376  220.452   2.2392 2.691223 3.459913 
1 1 1   13    8    4 o  316.962   2.2574  749.240   10.668  744.126   18.092  751.966   13.209  315.764   3.8428  317.506   2.7902 -1.742371 4.748968 
1 1 1   13    8    5 o  260.455   2.0007  505.890   7.7693  514.629   11.014  497.233   10.961  262.650   2.8124  258.170   2.8477 4.479614 4.002379 
1 1 1   13    8    6 o  154.300   2.2630  177.584   5.2062  176.075   7.5501  178.953   7.1885  153.597   3.2969  154.857   3.1134 -1.259705 4.534618 
1 1 1   13    8    7 o  139.057   2.0035  144.225   4.1539  141.041   6.4369  146.498   5.4377  137.463   3.1406  140.124   2.6028 -2.661011 4.078964 
1 1 1   13    8    8 o  290.498   1.9681  629.471   8.5245  641.208   13.356  621.403   11.073  293.075   3.0566  288.571   2.5736 4.503448 3.995797 
1 1 1   13    8    9 o  282.102   2.3677  593.843   9.9586  593.258   15.283  594.275   13.128  281.777   3.6378  282.103   3.1213 -0.3261719 4.793317 
1 1 1   13    8   10 o   95.008   2.9134   67.406   4.1270   74.995   6.5933   62.517   5.2920  100.103   4.4176   91.438   3.8817 8.665192 5.880701 
1 1 1   13    8   11 o   31.768   6.2931   7.8545   2.8753   5.8790   4.4730   9.2457   3.7537   28.282   9.2290   34.336   7.5387 -6.054766 11.91664 
1 1 1   13    8   12 o   23.957   7.9046   4.1610   3.2780   13.767   5.7912  -0.3676   3.9763   41.673   9.5280   18.403   7.9432 23.27003 12.40474 
1 1 1   13    8   13 o   89.192   4.1813   59.611   5.5604   67.340   8.8080   54.489   7.1697   94.290   6.3016   84.904   5.6968 9.386024 8.494877 
1 1 1   13    8   14 o   53.732   5.6144   21.989   4.4314   26.309   7.4489   19.622   5.5132   57.994   8.8988   50.272   7.5920 7.722569 11.69730 
1 1 1   13    8   15 o  195.754   2.5715  286.555   7.5053  283.529   13.720  287.847   8.9656  193.998   4.7434  196.067   3.0670 -2.069061 5.648559 
1 1 1   13    8   16 o   52.422   5.3167   21.083   4.0981   24.896   7.8191   19.639   4.8119   55.309   9.8424   50.197   6.5884 5.112091 11.84403 
1 1 1   13    8   17 o   67.771   4.7896   35.213   4.8085   24.447   11.798   37.358   5.2657   50.806   14.722   69.686   5.1035 -18.87998 15.58148 
1 1 1   13    8   18 o   80.185   3.6918   48.883   4.4136   50.980   7.8930   47.929   5.3238   79.910   6.6862   78.885   4.5457 1.025116 8.085093 
1 1 1   13    8   19 o   43.393   5.6587   15.137   3.5739   20.179   6.8540   13.254   4.1884   46.867   10.106   39.603   7.3643 7.263699 12.50443 
1 1 1   13    9    0 o  411.733   6.0633  1266.08   37.204  1266.08   37.204  1266.08   37.204  411.733   6.0633  411.733   6.0633 0.000000 0.000000 
1 1 1   13    9    1 o  129.727   1.8412  125.489   3.5612  121.126   11.655  125.938   3.7401  127.292   6.1410  129.957   1.9303 -2.664948 6.437170 
1 1 1   13    9    2 o  369.054   3.0847  1016.11   16.974  988.088   30.573  1028.59   20.408  363.619   5.6392  371.256   3.6868 -7.637665 6.737462 
1 1 1   13    9    3 o  114.697   2.0819   98.107   3.5603   80.880   8.1040  102.227   3.9633  103.908   5.2479  117.076   2.2704 -13.16818 5.718008 
1 1 1   13    9    4 o  188.157   1.9369  264.019   5.4337  261.145   10.790  264.996   6.2895  187.032   3.8692  188.494   2.2379 -1.461868 4.469830 
1 1 1   13    9    5 o  121.287   2.7474  109.755   4.9683  102.077   10.413  112.018   5.6532  116.635   6.0085  122.518   3.0947 -5.882904 6.758639 
1 1 1   13    9    6 f  157.867   2.2181  185.905   5.2209  192.133   9.4920  183.203   6.2516  160.380   3.9695  156.693   2.6759 3.686493 4.787220 
1 1 1   13    9    7 o  137.884   2.5750  141.872   5.2937  141.788   12.670  141.889   5.8266  137.523   6.1791  137.879   2.8343 -0.3551483 6.798118 
1 1 1   13    9    8 o   83.635   2.8684   52.219   3.5769   61.052   6.9208   49.000   4.1782   90.144   5.1709   80.991   3.4601 9.153931 6.221754 
1 1 1   13    9    9 o   53.813   4.2820   21.801   3.4072   28.474   6.2937   19.035   4.0524   61.116   7.0352   50.083   5.5184 11.03252 8.941339 
1 1 1   13    9   10 o  110.916   2.6517   91.858   4.3851  105.506   8.4291   86.793   5.1347  118.662   4.7643  107.776   3.1954 10.88542 5.736626 
1 1 1   13    9   11 o   36.824   6.3906   10.501   3.3814   15.378   6.4036   8.6154   3.9818   44.015   9.9869   33.068   8.1326 10.94702 12.87935 
1 1 1   13    9   12 o   71.657   3.9454   38.566   4.1989   36.981   10.539   38.865   4.5780   68.589   10.651   71.886   4.2909 -3.297234 11.48279 
1 1 1   13    9   13 o  107.535   3.2983   86.510   5.2882   83.109   8.8567   88.394   6.5923  104.890   5.6845  108.601   4.0713 -3.710411 6.992075 
1 1 1   13    9   14 o   72.071   4.4263   39.171   4.7333   36.033   8.1135   40.790   5.8278   68.176   8.1430   73.357   5.3655 -5.180862 9.751780 
1 1 1   13    9   15 o   71.005   4.1667   38.073   4.3918   44.216   8.3243   35.704   5.1699   75.514   7.4924   68.533   5.0960 6.981018 9.061196 
1 1 1   13    9   16 o   53.656   5.2333   22.137   4.1334   28.029   7.8333   19.863   4.8659   58.731   9.2517   50.328   6.6473 8.402874 11.39210 
1 1 1   13    9   17 o   61.249   4.3971   28.757   3.9888   29.679   7.0783   28.328   4.8284   60.362   8.0668   60.362   5.4229 -0.8773804E-04 9.720145 
1 1 1   13    9   18 o   40.663   7.3596   13.739   4.2977   2.3833   6.5703   22.232   5.6818   24.386   10.361   51.804   7.5805 -27.41772 12.83790 
1 1 1   13   10    0 o  358.124   4.2311  957.191   22.585  957.191   22.585  957.191   22.585  358.124   4.2311  358.124   4.2311 0.000000 0.000000 
1 1 1   13   10    1 o  165.505   3.2564  204.405   8.0356  203.975   11.059  204.885   11.696  165.258   4.4884  165.609   4.7366 -0.3502655 6.525404 
1 1 1   13   10    2 o  215.027   2.3799  344.881   7.6301  338.054   12.530  348.905   9.6195  212.785   3.9493  216.244   2.9836 -3.459076 4.949647 
1 1 1   13   10    3 o  177.400   1.8725  234.697   4.9527  225.883   10.452  237.249   5.6242  173.920   4.0306  178.353   2.1150 -4.432602 4.551817 
1 1 1   13   10    4 o  178.276   1.9286  237.036   5.1263  233.876   10.483  238.030   5.8769  176.958   3.9733  178.637   2.2065 -1.679047 4.544854 
1 1 1   13   10    5 o  325.221   2.6579  789.231   12.888  809.087   26.919  783.326   14.680  328.782   5.4914  323.955   3.0393 4.827576 6.276331 
1 1 1   13   10    6 o   73.232   3.1132   40.039   3.3993   37.445   9.7020   40.402   3.6293   69.764   9.5802   73.557   3.3093 -3.792259 10.13568 
1 1 1   13   10    7 o  188.208   2.0520  264.259   5.7583  257.897   10.546  266.961   6.8732  185.764   3.8077  189.139   2.4373 -3.375641 4.520972 
1 1 1   13   10    8 o   84.469   3.2973   53.304   4.1526   0.0000   0.0000   53.304   4.1526  ?   ?    84.469   3.2973 0.000000 3.297280 
1 1 1   13   10    9 o   94.388   2.9689   66.546   4.1781   72.180   7.4459   63.956   5.0477   97.983   5.1145   92.486   3.6606 5.496872 6.289509 
1 1 1   13   10   10 o   96.282   2.8786   69.254   4.1323   62.197   7.7258   72.082   4.8907   90.785   5.7372   98.193   3.3406 -7.407547 6.638847 
1 1 1   13   10   11 o   92.001   3.0635   63.269   4.2023   55.301   7.7142   66.631   5.0111   85.467   6.0936   94.370   3.5615 -8.903275 7.058090 
1 1 1   13   10   12 o  182.585   2.5863  249.044   7.0408  268.290   17.513  245.334   7.6896  188.567   6.2291  181.180   2.8466 7.387619 6.848676 
1 1 1   13   10   13 o   59.866   5.0862   27.159   4.4969   21.168   7.2840   30.848   5.7164   51.607   9.8254   63.617   6.1016 -12.00951 11.56579 
1 1 1   13   10   14 o   57.010   6.0057   24.900   5.0281   33.061   7.9166   19.382   6.5096   65.051   8.3555   49.302   9.1939 15.74889 12.42344 
1 1 1   13   10   15 o   77.017   3.9273   44.785   4.4947   46.812   8.4447   43.984   5.3092   77.533   7.3947   76.116   4.7013 1.417236 8.762655 
1 1 1   13   10   16 o   47.357   5.9445   17.544   4.1048   16.055   9.2131   17.913   4.5850   42.319   13.184   47.591   6.6429 -5.271671 14.76299 
1 1 1   13   10   17 o   56.278   4.7340   24.510   3.9354   26.990   7.3372   23.508   4.6628   56.567   9.0010   54.606   5.8166 1.960999 10.71688 
1 1 1   13   10   18 o   42.067   8.4676   15.357   5.1271   13.581   6.5860   18.090   8.1688   37.731   11.019   42.569   12.226 -4.838043 16.45867 
1 1 1   13   11    0 o   72.821   7.3739   40.839   7.8180   40.839   7.8180   40.839   7.8180   72.821   7.3739   72.821   7.3739 0.000000 0.000000 
1 1 1   13   11    1 o  156.688   3.1721  183.244   7.4106  182.502   10.200  184.073   10.785  156.287   4.3773  156.939   4.6091 -0.6522064 6.356453 
1 1 1   13   11    2 o  170.259   2.2032  216.233   5.5930  193.673   10.339  225.566   6.6499  160.996   4.3073  173.876   2.5651 -12.87970 5.013248 
1 1 1   13   11    3 o  148.745   2.5829  165.087   5.7284  141.155   12.703  171.195   6.4179  137.253   6.2075  151.458   2.8421 -14.20522 6.827176 
1 1 1   13   11    4 o  245.976   2.1242  451.347   7.7905  465.634   19.904  448.763   8.4659  249.402   5.3528  245.256   2.3152 4.146439 5.832016 
1 1 1   13   11    5 o  118.889   2.8200  105.506   4.9987   98.746   11.884  106.959   5.5099  114.431   6.9991  119.689   3.0876 -5.258308 7.649894 
1 1 1   13   11    6 f  113.539   2.3102   96.193   3.9108  100.163   7.7594   94.841   4.5279  115.704   4.4979  112.719   2.6942 2.985657 5.243071 
1 1 1   13   11    7 o   75.758   2.9052   42.858   3.2815   40.857   6.4663   43.551   3.8083   73.538   5.9486   76.348   3.3455 -2.810593 6.824820 
1 1 1   13   11    8 o  169.401   2.5092  214.232   6.3375  227.566   10.282  206.061   8.0483  174.412   3.9538  166.061   3.2506 8.351624 5.118495 
1 1 1   13   11    9 o   38.140   5.6206   11.160   3.1004   18.261   6.2215   8.8137   3.5761   48.271   8.9748   33.518   7.3575 14.75274 11.60510 
1 1 1   13   11   10 o   91.733   3.0329   62.897   4.1482   53.530   7.7220   66.696   4.9180   84.058   6.2053   94.423   3.4933 -10.36551 7.121020 
1 1 1   13   11   11 o   45.312   5.8050   15.711   3.8316   11.480   9.9391   16.450   4.1526   39.636   13.759   46.308   6.1679 -6.671734 15.07846 
1 1 1   13   11   12 o  125.192   2.7499  117.148   5.1329  132.702   9.8241  111.307   6.0199  132.854   4.9596  121.960   3.3106 10.89352 5.963017 
1 1 1   13   11   13 o  110.450   3.3994   91.390   5.5981   78.103   9.0211   99.711   7.1390  101.418   5.9925  115.230   4.1553 -13.81250 7.292234 
1 1 1   13   11   14 o  119.228   2.9718  106.505   5.2828   93.467   9.6190  112.137   6.3216  110.757   5.8456  122.229   3.4688 -11.47260 6.797333 
1 1 1   13   11   15 f   46.547   6.0028   16.875   4.0689   15.230   7.5255   17.554   4.8369   42.190   11.602   47.103   7.1085 -4.912354 13.60640 
1 1 1   13   11   16 o   57.229   5.6141   25.548   4.7287   0.0000   0.0000   25.548   4.7287  ?   ?    57.229   5.6141 0.000000 5.614099 
1 1 1   13   11   17 o   20.261   8.2088   2.0299   3.8575   7.4119   5.8860  -2.0219   5.1071   29.561   10.561   18.386   8.3906 11.17466 13.48803 
1 1 1   13   11   18 o   28.704   8.4547   7.3444   3.8627   6.9599   6.0760   7.6052   5.0041   28.113   10.612   28.863   9.7710 -0.7494774 14.42535 
1 1 1   13   12    0 o   92.563   8.6390   65.813   11.684   65.813   11.684   65.813   11.684   92.563   8.6390   92.563   8.6390 0.000000 0.000000 
1 1 1   13   12    1 o   84.918   6.7331   54.452   8.4548   57.042   11.810   51.729   12.110   86.437   9.3106   82.089   10.108 4.348152 13.74235 
1 1 1   13   12    2 o  324.339   2.9486  785.271   14.259  765.127   26.972  793.085   16.798  319.578   5.6606  325.867   3.4574 -6.288666 6.632919 
1 1 1   13   12    3 o  257.021   2.8083  493.100   10.762   0.0000   0.0000  493.100   10.762  ?   ?   257.021   2.8083 0.000000 2.808295 
1 1 1   13   12    4 o  203.301   1.9141  308.318   5.8021  304.807   11.795  309.438   6.6640  201.934   3.9177  203.650   2.1947 -1.716080 4.490587 
1 1 1   13   12    5 o  270.209   2.0449  544.736   8.2382  536.854   15.319  547.943   9.7714  267.980   3.8341  270.961   2.4187 -2.980682 4.533254 
1 1 1   13   12    6 o   30.177   7.2599   7.1352   3.2267  -4.5616   5.7119   12.617   3.9103   18.786   8.6824   40.425   6.7239 -21.63914 10.98152 
1 1 1   13   12    7 o   45.168   4.3423   15.414   2.8882   16.425   5.7416   15.071   3.3418   45.812   8.7244   44.540   5.1257 1.271801 10.11874 
1 1 1   13   12    8 o  136.730   2.3543  139.567   4.7996  142.940   9.0309  138.239   5.6660  138.130   4.3851  136.038   2.7935 2.091599 5.199251 
1 1 1   13   12    9 o  190.261   2.2293  270.245   6.3240  272.771   11.555  269.165   7.5561  190.833   4.0611  189.822   2.6698 1.011627 4.860107 
1 1 1   13   12   10 o   88.888   3.1178   59.081   4.1320   66.974   7.7656   55.964   4.8802   94.167   5.5556   86.449   3.7863 7.718803 6.723158 
1 1 1   13   12   11 o   44.691   5.9962   15.331   3.8947   6.4558   8.6804   17.568   4.3580   33.172   12.645   47.835   6.2606 -14.66364 14.11007 
1 1 1   13   12   12 o  184.606   2.4683  254.674   6.7938  269.733   12.665  248.590   8.0499  189.459   4.4837  182.290   2.9618 7.168350 5.373627 
1 1 1   13   12   13 o  133.572   3.3445  133.764   6.6607  130.593   9.7513  136.537   9.1196  131.529   4.9725  134.628   4.5433 -3.098602 6.735485 
1 1 1   13   12   14 o   53.008   5.8979   21.698   4.5823   17.458   7.5099   24.214   5.7837   45.621   11.138   55.606   7.1412 -9.985054 13.23062 
1 1 1   13   12   15 o   30.733   8.1119   7.7787   3.7714   0.9039   6.8366   10.786   4.5217   24.288   10.450   36.065   8.5408 -11.77696 13.49591 
1 1 1   13   12   16 o   55.123   4.9184   23.601   3.9998   19.905   7.2935   25.190   4.7833   47.310   10.602   56.555   5.7527 -9.245651 12.06253 
1 1 1   13   12   17 o   44.022   6.4074   15.825   4.0822   10.471   6.3955   19.506   5.3030   33.329   11.043   48.125   7.6463 -14.79612 13.43211 
1 1 1   13   13    1 o  130.620   4.3758  127.635   8.5220  145.816   10.750   96.890   13.980  139.518   5.1680  112.991   8.3576 26.52722 9.826386 
1 1 1   13   13    2 o   28.003   4.4446   6.0111   1.7937   12.073   7.3274   5.6246   1.8500   39.415   11.655   27.016   4.7672 12.39873 12.59191 
1 1 1   13   13    3 o  269.914   2.5185  543.788   10.135  538.746   15.827  547.293   13.196  268.416   3.9547  270.668   3.2700 -2.251343 5.131486 
1 1 1   13   13    4 o  138.774   1.9458  143.679   4.0260  145.903   9.0700  143.134   4.4928  139.624   4.3569  138.496   2.1758 1.127609 4.869955 
1 1 1   13   13    5 o  266.249   2.0569  528.963   8.1651  539.889   15.598  524.838   9.5830  268.659   3.8940  265.161   2.4239 3.497955 4.586831 
1 1 1   13   13    6 o   80.074   2.7201   47.885   3.2475   37.042   6.4098   51.629   3.7668   69.896   6.2155   83.127   3.0392 -13.23119 6.918759 
1 1 1   13   13    7 o  132.038   2.4191  130.170   4.7624  145.191   8.8446  124.037   5.6516  139.220   4.2610  128.841   2.9420 10.37840 5.177960 
1 1 1   13   13    8 o  140.046   2.3451  146.450   4.8967  149.453   9.1801  145.255   5.7890  141.195   4.3607  139.428   2.7847 1.766693 5.174052 
1 1 1   13   13    9 o   54.696   4.2680   22.566   3.4530   15.736   6.6579   25.080   4.0386   44.355   10.270   57.603   4.7445 -13.24810 11.31302 
1 1 1   13   13   10 o   14.194   6.8249  -6.1817   4.2303 -10.5376   9.3984  -5.0750   4.7373   22.281   10.562   16.140   7.6046 6.140867 13.01461 
1 1 1   13   13   11 o  113.600   2.8945   96.518   4.9025   97.335   9.0761   96.181   5.8254  113.633   5.3570  113.325   3.4477 0.3088684 6.370572 
1 1 1   13   13   12 o   43.943   6.1909   14.927   3.9438   17.810   7.7278   13.912   4.5859   46.625   11.247   42.031   7.5975 4.594173 13.57226 
1 1 1   13   13   13 o   18.392   8.2772  -1.9899   4.7648 -11.1879   7.1099   5.5087   6.4196   17.734   8.6045   29.141   10.927 -11.40737 13.90818 
1 1 1   13   13   14 o   39.198   6.9737   12.253   3.9263   12.766   7.4910   12.059   4.6103   38.648   11.863   38.424   8.2908 0.2236977 14.47317 
1 1 1   13   13   15 o   21.361   8.4065   2.5391   3.9289   4.0460   9.5963   2.2356   4.3063   29.626   12.551   21.539   8.6918 8.087315 15.26674 
1 1 1   13   13   16 o   14.830   6.8483  -2.2145   3.5429   8.5957   6.2273  -7.3882   4.3080   31.152   10.887   13.271   6.4957 17.88050 12.67730 
1 1 1   13   13   17 o   13.725   6.5810  -4.4810   3.8725 -10.7732   6.3265  -0.7110   4.8970   15.527   7.6536   18.644   8.3907 -3.116514 11.35700 
1 1 1   13   14    0 o   89.884   6.8692   61.525   9.0822   61.525   9.0822   61.525   9.0822   89.884   6.8692   89.884   6.8692 0.000000 0.000000 
1 1 1   13   14    1 o  195.439   3.1503  285.361   9.1798  261.309   12.358  314.969   13.711  186.824   4.4366  205.102   4.4837 -18.27792 6.307728 
1 1 1   13   14    2 o  170.901   3.2257  218.238   8.2193  222.792   11.130  212.775   12.190  172.516   4.3269  168.503   4.8522 4.012344 6.501242 
1 1 1   13   14    3 o  106.445   2.5721   84.596   4.0821   80.827   8.2525   85.817   4.6970  103.647   5.3585  107.185   2.9391 -3.538628 6.111661 
1 1 1   13   14    4 o  206.718   1.9352  318.854   5.9644  316.219   12.457  319.638   6.7937  205.542   4.0649  206.944   2.2018 -1.402054 4.622929 
1 1 1   13   14    5 o  128.842   2.8236  124.010   5.4241  120.410   8.5063  126.477   7.0415  126.756   4.5009  130.029   3.6321 -3.273178 5.783617 
1 1 1   13   14    6 o   14.008   6.5109  -2.9062   3.2810  -7.1863   5.7471  -0.8367   3.9963   17.179   8.1766   17.929   7.8478 -0.7504330 11.33335 
1 1 1   13   14    7 o  149.162   2.2608  166.127   5.0281  151.934   9.3137  171.965   5.9733  142.339   4.3886  151.717   2.6406 -9.378052 5.121798 
1 1 1   13   14    8 o  151.724   2.6739  172.020   6.0489  165.559   9.8554  175.926   7.6618  148.535   4.4502  153.333   3.3514 -4.797302 5.570986 
1 1 1   13   14    9 o   31.388   9.0336   7.7382   4.4557   10.531   9.8949   7.0277   4.9902   38.435   13.696   30.434   9.7321 8.001886 16.80196 
1 1 1   13   14   10 o   52.367   6.2163   21.028   4.7588   14.969   10.542   22.579   5.3330   43.450   14.168   54.159   6.7509 -10.70937 15.69425 
1 1 1   13   14   11 o   42.236   6.2363   13.810   3.8090   8.8255   7.1789   15.763   4.4936   34.308   11.703   45.004   6.9184 -10.69610 13.59482 
1 1 1   13   14   12 o   56.565   4.8523   24.351   4.0527   26.684   7.6550   23.442   4.7771   57.813   9.1882   55.224   5.8928 2.588062 10.91551 
1 1 1   13   14   13 f   69.164   4.6409   36.420   4.7581   30.269   7.7099   40.203   6.0470   61.444   8.6557   72.330   5.6522 -10.88588 10.33775 
1 1 1   13   14   14 o   91.537   3.3726   63.258   4.6029   58.353   8.5937   65.232   5.4507   86.084   6.7497   92.740   3.9420 -6.656883 7.816502 
1 1 1   13   14   15 o   21.613   8.3773   2.9270   3.8540   2.8874   9.8734   2.9341   4.1861   28.383   12.382   22.074   8.6804 6.308910 15.12145 
1 1 1   13   14   16 o   16.855   7.3772  -0.0230   3.5310  -2.2637   6.2548   1.0252   4.2779   19.867   9.1476   19.448   8.3138 0.4193172 12.36114 
1 1 1   13   15    0 o   32.631   15.325   11.863   8.3720   11.863   8.3720   11.863   8.3720   32.631   15.325   32.631   15.325 0.000000 0.000000 
1 1 1   13   15    1 o   87.514   4.9994   57.645   6.4962   54.353   8.9268   61.352   9.4713   84.543   7.1488   89.862   7.1276 -5.318993 10.09496 
1 1 1   13   15    2 o  318.412   3.0724  757.698   14.586  770.505   20.114  743.493   21.184  320.745   4.2059  314.963   4.5110 5.782074 6.167567 
1 1 1   13   15    3 o   90.787   2.8511   61.581   3.8593   60.335   7.9284   61.968   4.4180   89.332   5.9873   91.041   3.2548 -1.709045 6.814754 
1 1 1   13   15    4 o  111.429   1.9827   92.667   3.2940   83.781   8.1586   94.398   3.6005  105.605   5.1816  112.454   2.1475 -6.848877 5.608925 
1 1 1   13   15    5 o   86.278   2.4972   55.600   3.2124   58.499   7.6704   54.983   3.5376   87.928   5.8848   85.780   2.7660 2.147995 6.502441 
1 1 1   13   15    6 f  103.336   2.5568   79.776   3.9393   70.140   7.6174   83.294   4.6026   96.411   5.3198  105.556   2.9245 -9.144867 6.070636 
1 1 1   13   15    7 o   28.796   8.1468   6.4947   3.6547   4.8721   6.3530   7.2972   4.4681   28.747   10.851   30.613   9.1122 -1.865589 14.16991 
1 1 1   13   15    8 o  194.405   2.2901  282.291   6.6379  261.541   12.575  290.306   7.8156  186.601   4.5197  197.079   2.6598 -10.47818 5.244248 
1 1 1   13   15    9 o   50.362   4.8647   19.259   3.6073   35.005   7.3320   14.230   4.1435   67.406   7.4183   42.820   6.7106 24.58604 10.00316 
1 1 1   13   15   10 o   65.730   4.0333   32.569   3.9336   22.837   8.1547   35.520   4.4906   53.143   10.663   68.581   4.4151 -15.43795 11.54049 
1 1 1   13   15   11 o   94.941   3.6094   67.693   5.1093   57.835   8.6692   72.939   6.3245   86.723   6.7580   98.398   4.3109 -11.67521 8.015885 
1 1 1   13   15   12 o   22.833   8.3468   3.4429   3.7036   8.2411   7.3777   1.8263   4.2823   33.083   11.823   21.383   8.6540 11.70078 14.65157 
1 1 1   13   15   13 o   59.450   5.3633   27.317   4.7028   23.448   7.9482   29.401   5.8334   52.511   10.519   61.204   6.4916 -8.693733 12.36055 
1 1 1   13   15   14 o   18.740   7.8714   0.9495   3.7227  -4.8809   8.4129   2.3690   4.1512   22.153   10.340   21.351   8.5627 0.8021030 13.42493 
1 1 1   13   15   15 o   39.277   7.0565   12.843   3.9804   18.396   9.1145   11.534   4.4247   42.240   13.106   36.465   8.3219 5.774921 15.52458 
1 1 1   13   15   16 o   57.821   5.7604   27.139   4.9000   0.0000   0.0000   27.139   4.9000  ?   ?    57.821   5.7604 0.000000 5.760430 
1 1 1   13   16    0 o   29.136   14.741   9.5411   7.9625   9.5411   7.9625   9.5411   7.9625   29.136   14.741   29.136   14.741 0.000000 0.000000 
1 1 1   13   16    1 o   45.936   8.8704   16.620   5.8553   11.636   7.7978   23.062   8.8660   38.692   12.141   53.621   11.439 -14.92870 16.68103 
1 1 1   13   16    2 o  116.211   4.0480  101.192   7.0140  100.627   9.3074  101.935   10.670  115.658   5.3974  116.085   6.1872 -0.4269028 8.210567 
1 1 1   13   16    3 o   29.048   12.456   0.2800   9.6559   0.0000   0.0000   0.2800   9.6559  ?   ?    29.048   12.456 0.000000 12.45597 
1 1 1   13   16    4 o  112.654   2.7185   94.844   4.5660   98.338   8.6669   93.502   5.3720  114.356   5.0832  111.798   3.2228 2.557968 6.018759 
1 1 1   13   16    5 o  197.494   2.4766  291.399   7.2926   0.0000   0.0000  291.399   7.2926  ?   ?   197.494   2.4766 0.000000 2.476624 
1 1 1   13   16    6 o   90.529   2.7073   61.263   3.6542   62.061   8.0984   61.059   4.0947   90.436   6.0407   90.346   3.0398 0.8989716E-01 6.762448 
1 1 1   13   16    7 o   69.546   4.6434   36.519   4.7871   41.545   10.332   35.144   5.4019   72.730   9.7755   68.074   5.3658 4.655869 11.15136 
1 1 1   13   16    8 o  117.365   2.6630  102.993   4.6599   97.892   9.2990  104.704   5.3849  113.878   5.4768  118.281   3.0534 -4.403122 6.270483 
1 1 1   13   16    9 o   34.542   7.5344   9.4694   3.7711   10.066   10.446   9.3799   4.0438   37.927   13.994   34.290   8.0478 3.637379 16.14341 
1 1 1   13   16   10 o   86.471   3.3928   56.107   4.3742   55.612   8.5260   56.284   5.0960   85.018   6.7826   86.507   3.9510 -1.489845 7.849467 
1 1 1   13   16   11 o  142.376   2.6516  151.881   5.6288  141.217   10.355  156.354   6.7061  136.368   5.0927  144.319   3.1166 -7.950729 5.970669 
1 1 1   13   16   12 o   30.815   8.2860   7.8044   3.8894   7.4413   7.1972   7.9542   4.6226   31.522   11.619   31.067   9.2733 0.4546986 14.86551 
1 1 1   13   16   13 o   56.287   5.7550   24.868   4.7618   12.351   7.9127   31.975   5.9624   36.932   12.286   63.543   6.3794 -26.61138 13.84336 
1 1 1   13   16   14 o   23.466   8.0728   4.3993   3.4177   5.3538   6.1323   3.9693   4.1163   26.917   10.530   23.330   8.7495 3.587132 13.69042 
1 1 1   13   16   15 o   55.460   4.7327   24.238   3.8760   16.574   6.6804   28.127   4.7589   41.298   10.746   59.268   5.4464 -17.97021 12.04750 
1 1 1   13   17    0 o   13.677   9.7520 -12.6071   8.8136 -12.6071   8.8136 -12.6071   8.8136   13.677   9.7520   13.677   9.7520 0.000000 0.000000 
1 1 1   13   17    1 o   82.607   5.3393   51.597   6.5409   47.605   8.6949   56.803   9.9277   78.789   7.4919   86.021   7.8262 -7.231880 10.83408 
1 1 1   13   17    2 o   31.149   10.405   7.1824   5.6737   9.5290   7.2930   3.5848   9.0301   35.516   11.794   30.777   12.526 4.739231 17.20490 
1 1 1   13   17    3 o   73.623   3.5559   40.599   3.9033   40.191   7.9115   40.730   4.4874   72.323   7.4432   73.572   4.1073 -1.249092 8.501233 
1 1 1   13   17    4 o  150.220   2.7257  168.709   6.1048  172.871   10.525  166.599   7.4944  151.646   4.6549  149.165   3.3698 2.481094 5.746618 
1 1 1   13   17    5 o  208.156   2.0703  323.567   6.4252  332.099   13.513  321.075   7.3037  210.281   4.3099  207.299   2.3631 2.982681 4.915207 
1 1 1   13   17    6 o   45.529   4.5906   15.743   3.0737   19.639   9.9423   15.331   3.2320   48.721   13.310   44.864   4.9120 3.856655 14.18720 
1 1 1   13   17    7 o  134.293   2.9786  134.979   5.9639  139.439   9.8972  132.436   7.4730  136.042   4.8794  132.864   3.7724 3.178391 6.167648 
1 1 1   13   17    8 o   47.985   4.9495   17.552   3.4902   19.589   7.5826   17.004   3.9314   49.035   10.674   47.047   5.7225 1.987411 12.11161 
1 1 1   13   17    9 o   17.739   7.6508  -0.1804   3.6832   8.8151   10.666  -1.3982   3.9246   36.492   13.992   17.013   7.5948 19.47902 15.92022 
1 1 1   13   17   10 o   52.241   4.9260   20.876   3.7915   15.619   7.6816   22.569   4.3596   42.934   11.687   54.179   5.4718 -11.24524 12.90419 
1 1 1   13   17   11 o   39.277   7.5780   12.469   4.2770   5.8766   7.2159   16.038   5.3102   29.785   11.486   44.359   8.3351 -14.57404 14.19141 
1 1 1   13   17   12 o   25.983   8.3867   5.4544   3.6993  -5.4735   7.4140   9.0770   4.2687   20.486   9.6083   32.785   8.6189 -12.29876 12.90751 
1 1 1   13   17   13 o   41.783   6.9238   14.339   4.1623   19.111   6.6876   11.322   5.3179   46.285   9.9840   35.571   9.7410 10.71415 13.94875 
1 1 1   13   17   14 o   21.842   8.0542   3.6330   3.4591   9.1392   6.7835   1.6981   4.0212   31.069   11.306   19.741   8.2282 11.32762 13.98286 
1 1 1   13   17   15 o   26.554   8.2582   6.4286   3.6166   4.1705   6.8741   7.2928   4.2527   24.771   10.563   27.876   8.9915 -3.105038 13.87153 
1 1 1   13   18    0 o   53.120   13.127   24.951   8.9999   24.951   8.9999   24.951   8.9999   53.120   13.127   53.120   13.127 0.000000 0.000000 
1 1 1   13   18    1 o   75.650   5.9921   43.553   6.7034   40.309   8.8098   48.014   10.331   72.064   8.3542   78.497   8.9891 -6.432968 12.27178 
1 1 1   13   18    2 o   23.069   9.8983   0.0317   6.1046  -8.4302   7.6885   14.466   10.042   20.254   9.5868   42.611   13.824 -22.35711 16.82312 
1 1 1   13   18    3 o  101.166   2.9443   76.580   4.4411   77.469   9.2244   76.311   5.0670  100.949   6.1581  100.932   3.3671 0.1743317E-01 7.018547 
1 1 1   13   18    4 o   83.343   3.6613   52.084   4.5496   57.653   12.158   51.177   4.9061   85.731   9.6812   82.569   3.9851 3.161514 10.46934 
1 1 1   13   18    5 o   83.759   2.5229   52.452   3.1507   58.936   8.7189   51.478   3.3790   87.777   6.7129   82.957   2.7319 4.820129 7.247538 
1 1 1   13   18    6 o  128.567   2.3385  123.554   4.4826  133.645   9.9013  120.952   5.0273  133.087   4.9898  127.158   2.6517 5.928978 5.650656 
1 1 1   13   18    7 o  103.659   2.6958   80.419   4.1664   88.521   9.1697   78.311   4.6771  107.873   5.7217  102.232   3.0684 5.641281 6.492559 
1 1 1   13   18    8 o  100.686   3.1364   76.042   4.7083   62.671   12.159   78.401   5.1068   88.894   9.3119  102.191   3.3517 -13.29653 9.896755 
1 1 1   13   18    9 o   27.697   9.1517   5.9165   4.3933   10.965   7.1682   2.8791   5.5599   36.463   11.665   24.723   9.9116 11.73995 15.30685 
1 1 1   13   18   10 o   79.501   3.5697   47.691   4.2313   61.734   8.5781   43.176   4.8642   89.008   6.5090   75.306   4.3508 13.70214 7.829188 
1 1 1   13   18   11 o   62.885   4.9994   30.580   4.6488   33.268   7.7614   29.076   5.8054   63.650   8.3824   60.552   6.5338 3.097191 10.62802 
1 1 1   13   18   12 o   77.719   3.8339   46.122   4.4426   39.258   9.8379   47.881   4.9792   66.661   10.225   78.870   4.2500 -12.20891 11.07275 
1 1 1   13   18   13 o   46.147   5.9951   17.285   4.0275   15.331   6.7528   18.363   5.0175   39.745   11.014   46.592   7.4756 -6.846497 13.31172 
1 1 1   13   18   14 o   62.969   5.1534   31.808   4.7958   21.042   10.583   34.591   5.3800   40.826   14.196   65.288   5.5805 -24.46225 15.25366 
1 1 1   13   19    0 o   62.378   17.414   36.180   14.013   36.180   14.013   36.180   14.013   62.378   17.414   62.378   17.414 0.000000 0.000000 
1 1 1   13   19    1 o   92.285   7.7465   65.687   10.560   56.894   14.070   77.029   15.980   84.161   11.515   98.348   11.092 -14.18670 15.98811 
1 1 1   13   19    2 o  102.082   7.1033   79.899   10.744   93.116   13.626   58.180   17.467  109.652   8.3987   83.358   14.585 26.29334 16.83071 
1 1 1   13   19    3 o   84.482   5.8024   54.323   7.2645   53.854   9.3758   55.027   11.491   83.504   7.6143   83.687   9.3701 -0.1828232 12.07383 
1 1 1   13   19    4 o   82.914   3.7768   51.623   4.6690   61.040   9.2338   48.389   5.4118   89.122   7.0055   80.017   4.5550 9.104317 8.356164 
1 1 1   13   19    5 o   31.627   5.1571   7.7521   2.3480   15.554   8.0376   7.0242   2.4551   43.279   12.025   29.955   5.7054 13.32387 13.30972 
1 1 1   13   19    6 o   44.359   4.4944   14.994   2.9315   22.010   7.9765   13.899   3.1521   51.767   10.689   42.563   5.0666 9.203835 11.82868 
1 1 1   13   19    7 o   56.649   4.1141   24.327   3.4512   30.234   7.7693   22.875   3.8521   61.580   8.7046   54.767   4.7650 6.812622 9.923441 
1 1 1   13   19    8 o   76.765   3.7595   44.441   4.3029   0.0000   0.0000   44.441   4.3029  ?   ?    76.765   3.7595 0.000000 3.759476 
1 1 1   13   19    9 o   18.862   8.1992  -0.1754   4.2970  -7.8757   7.2223   4.0439   5.3462   19.150   9.1290   25.554   9.8774 -6.404104 13.44997 
1 1 1   13   19   10 o   49.902   5.0371   19.347   3.6964   22.200   7.5324   18.442   4.2424   50.529   10.346   48.297   6.0222 2.231495 11.97147 
1 1 1   13   19   11 o   23.198   9.1120   3.4521   4.6077 -11.9228   8.6290   9.5845   5.4497   19.078   9.3066   32.703   10.132 -13.62413 13.75745 
1 1 1   13   19   12 o   25.974   7.9832   5.8283   3.3911   3.1804   6.4502   6.8397   3.9864   24.421   10.315   27.831   8.6726 -3.409832 13.47622 
1 1 1   13   19   13 o   18.005   7.5399   1.3577   3.3991   13.287   6.8437  -2.5489   3.9163   35.561   11.400   15.063   7.0386 20.49849 13.39752 
1 1 1   13   19   14 o   10.203   5.1203  -8.7756   3.3975 -14.0901   6.8387  -7.0339   3.9149   14.745   7.3799   12.128   5.9860 2.616922 9.502365 
1 1 1   13   20    0 o  115.400   6.9283  101.329   11.822  101.329   11.822  101.329   11.822  115.400   6.9283  115.400   6.9283 0.000000 0.000000 
1 1 1   13   20    1 o   43.907   10.880   15.887   7.0865   15.554   9.9053   16.236   10.143   43.282   13.698   44.101   13.848 -0.8190422 19.47832 
1 1 1   13   20    2 o   42.286   10.905   14.755   6.9201   13.964   8.7574   16.070   11.292   41.153   12.859   44.053   14.677 -2.900562 19.51377 
1 1 1   13   20    3 o   45.558   10.074   16.975   6.6608   12.818   8.2261   24.890   11.351   39.537   12.480   53.716   14.022 -14.17938 18.77133 
1 1 1   13   20    4 o   28.466   8.7237   6.3876   4.0527   12.679   8.1508   4.3213   4.6710   39.229   12.427   25.552   9.3687 13.67778 15.56250 
1 1 1   13   20    5 f   69.432   2.3303   36.075   2.4124   28.360   8.3462   36.778   2.5199   59.083   9.8192   70.096   2.4112 -11.01332 10.11087 
1 1 1   13   20    6 o   72.917   3.0957   39.937   3.3656   41.281   8.0413   39.652   3.7058   72.458   7.5544   72.595   3.4238 -0.1364441 8.294072 
1 1 1   13   20    7 o   59.228   4.0045   26.653   3.5155   37.613   11.371   25.495   3.6966   66.135   11.973   57.832   4.3182 8.302330 12.72772 
1 1 1   13   20    8 o   54.919   4.4353   23.114   3.6008   19.663   7.6677   24.090   4.0784   47.466   11.043   55.892   4.9452 -8.425354 12.09926 
1 1 1   13   20    9 o   48.023   6.1679   18.343   4.3142   13.357   7.0859   21.280   5.4384   38.296   11.493   51.148   7.3419 -12.85216 13.63760 
1 1 1   13   20   10 o   12.503   6.0410  -4.8504   3.4124 -15.8022   8.3429  -2.6500   3.7396   17.312   8.5798   14.923   6.9412 2.388691 11.03601 
1 1 1   13   20   11 o   57.010   4.9695   25.681   4.1818   23.398   6.9265   26.990   5.2458   50.876   9.4800   57.571   6.2096 -6.695129 11.33270 
1 1 1   13   20   12 o   38.031   6.4043   12.168   3.5024   7.5868   6.6183   13.950   4.1278   28.309   10.976   40.246   7.1405 -11.93733 13.09461 
1 1 1   13   20   13 o   28.868   8.7988   8.1057   4.1299   0.0000   0.0000   8.1057   4.1299  ?   ?    28.868   8.7988 0.000000 8.798783 
1 1 1   13   21    0 o   17.678   12.067  -5.3005   9.9085  -5.3005   9.9085  -5.3005   9.9085   17.678   12.067   17.678   12.067 0.000000 0.000000 
1 1 1   13   21    1 o   49.695   9.9268   20.280   7.0978   27.547   9.8448   12.414   10.243   57.092   11.949   39.312   13.943 17.78028 18.36248 
1 1 1   13   21    2 o   33.570   11.335   8.9132   6.7345   4.4849   8.4879   16.438   11.064   30.080   12.180   43.667   14.528 -13.58742 18.95845 
1 1 1   13   21    3 o   50.619   9.0624   20.822   6.5883   20.633   8.3377   21.136   10.750   49.245   11.555   48.764   14.031 0.4810219 18.17633 
1 1 1   13   21    4 o   82.131   3.7970   50.899   4.6497   37.800   8.2976   56.895   5.6139   68.854   8.2468   86.563   4.3637 -17.70929 9.330137 
1 1 1   13   21    5 o   14.602   5.3484   1.3350   1.5218   1.3819   7.4442   1.3330   1.5546   25.674   10.971   14.674   5.4011 10.99986 12.22842 
1 1 1   13   21    6 o   76.278   3.0525   43.807   3.4715   35.663   12.875   44.446   3.6050   61.892   14.247   76.807   3.1480 -14.91515 14.59083 
1 1 1   13   21    7 f   49.858   4.2422   19.080   3.1235   17.209   7.2584   19.506   3.4603   43.961   11.078   50.264   4.6707 -6.303070 12.02263 
1 1 1   13   21    8 o   66.462   3.6741   33.709   3.6266   34.841   7.7684   33.394   4.1010   64.712   8.2382   65.919   4.1944 -1.207008 9.244538 
1 1 1   13   21    9 o   19.281   8.2987   0.7247   4.3155  -5.2635   8.9715   2.5274   4.9225   22.097   10.428   22.236   9.1718 -0.1388512 13.88736 
1 1 1   13   21   10 o   19.897   7.7028   2.6565   3.2553   6.3623   6.4733   1.4022   3.7661   27.470   10.797   18.874   7.9218 8.596016 13.39143 
1 1 1   13   21   11 o   31.588   9.5779   9.6819   4.9029   20.605   6.8693  -1.6612   7.0001   45.793   10.309   20.607   9.5548 25.18551 14.05632 
1 1 1   13   21   12 o   39.054   6.2392   13.044   3.5108   17.016   6.9288   11.671   4.0722   39.062   11.272   35.567   7.8860 3.495270 13.75653 
1 1 1   13   22    0 o   19.260   12.740  -1.3295   9.5419  -1.3295   9.5419  -1.3295   9.5419   19.260   12.740   19.260   12.740 0.000000 0.000000 
1 1 1   13   22    1 o   34.877   11.416   10.195   6.8422   15.776   9.6616   4.5794   9.6910   42.022   13.553   30.855   12.810 11.16729 18.64822 
1 1 1   13   22    2 o   35.102   11.141   10.442   6.5493   16.173   9.0077   4.0143   9.5393   42.477   13.004   30.157   12.630 12.31933 18.12793 
1 1 1   13   22    3 o   29.606   10.786   6.6281   6.1769   5.7843   7.7274   8.1213   10.280   29.898   11.782   34.036   13.533 -4.137383 17.94338 
1 1 1   13   22    4 o   19.017   7.8694   1.1726   3.6406   2.9042   7.5865   0.6546   4.1495   26.814   11.248   19.382   8.2342 7.432674 13.94022 
1 1 1   13   22    5 o   46.334   6.6528   17.204   4.4640   46.848   13.699   13.682   4.7218   70.823   13.465   40.570   8.0898 30.25353 15.70872 
1 1 1   13   22    6 o   15.285   6.5056   0.2950   2.5988   8.3175   7.2407  -0.8913   2.7843   31.455   11.642   14.242   6.3747 17.21300 13.27310 
1 1 1   13   22    7 o   50.425   4.3092   19.706   3.2086   8.5001   7.2557   22.431   3.5775   31.120   11.627   53.725   4.5078 -22.60461 12.47035 
1 1 1   13   22    8 o   41.911   6.6662   14.562   4.0261   30.772   9.4555   10.972   4.4496   56.260   11.655   35.145   8.5689 21.11533 14.46638 
1 1 1   13   22    9 o   27.741   8.4380   6.9510   3.8009   1.2016   6.4543   10.004   4.7030   22.244   9.8456   32.685   9.2397 -10.44091 13.50215 
1 1 1   13   22   10 o   57.553   4.3044   26.151   3.6669   28.018   6.9881   25.442   4.3075   55.130   8.7973   56.046   5.2146 -0.9163742 10.22670 
1 1 1   13   22   11 o   40.959   7.5198   15.210   4.4230   5.6922   6.8533   22.005   5.7903   25.070   10.613   48.526   8.3015 -23.45648 13.47390 
1 1 1   13   23    0 o   29.431   15.715   10.638   9.3973   10.638   9.3973   10.638   9.3973   29.431   15.715   29.431   15.715 0.000000 0.000000 
1 1 1   13   23    1 o   34.520   11.154   10.542   6.5417   3.4574   9.0161   18.416   9.5059   28.407   12.105   43.775   13.351 -15.36779 18.02116 
1 1 1   13   23    2 o   56.234   8.3243   26.251   6.7685   46.676   9.7278   7.0832   9.4237   74.713   8.9083   31.603   12.821 43.11068 15.61213 
1 1 1   13   23    3 o   27.369   11.001   4.8587   6.8684   8.0730   8.1668  -2.9085   12.695   31.596   12.209   27.827   12.890 3.769087 17.75454 
1 1 1   13   23    4 o   24.803   10.800   1.5986   7.4807   6.3304   13.252  -0.6144   9.0627   32.584   14.276   25.075   11.338 7.509077 18.23049 
1 1 1   13   23    5 o   56.643   4.6327   25.010   3.8782   18.232   7.3957   27.581   4.5547   43.798   11.262   59.161   5.2170 -15.36301 12.41197 
1 1 1   13   23    6 o   31.799   4.9008   8.0709   2.2489  -4.0807   8.4105   9.0067   2.3339   21.718   10.201   33.675   4.7828 -11.95781 11.26670 
1 1 1   13   23    7 o   19.025   7.0665   2.6245   2.6724   0.0306   6.2711   3.2001   2.9540   21.182   9.5178   20.433   7.4567 0.7488556 12.09093 
1 1 1   13   23    8 o   40.605   5.4538   13.470   3.2183   16.477   6.9233   12.642   3.6349   39.687   11.208   38.604   6.5492 1.082787 12.98091 
1 1 1   13   23    9 o   57.810   5.2988   27.315   4.5164   21.646   7.0725   31.219   5.8689   45.807   10.570   60.394   6.6265 -14.58706 12.47568 
1 1 1   13   23   10 o   27.196   7.8609   7.0624   3.3674   2.1186   6.6981   8.7346   3.8955   21.733   9.7943   29.836   8.4004 -8.102440 12.90325 
1 1 1   13   24    0 f   71.844   15.897   48.651   14.891   48.651   14.891   48.651   14.891   71.844   15.897   71.844   15.897 0.000000 0.000000 
1 1 1   13   24    1 o   30.860   12.643   7.8875   9.2756   19.745   13.128  -3.9332   13.107   40.826   15.554   26.696   12.600 14.13053 20.01676 
1 1 1   13   24    2 o   35.411   13.288   12.938   9.4972   27.936   14.078   0.4118   12.866   46.928   16.370   28.195   13.031 18.73251 20.92354 
1 1 1   13   24    3 o   28.551   11.205   6.9269   6.9619   20.715   13.572   2.0037   8.1102   40.484   15.713   25.025   11.058 15.45864 19.21404 
1 1 1   13   24    4 o   45.406   11.244   20.426   7.5719   29.675   10.326   9.6690   11.136   52.566   13.195   31.816   13.502 20.74995 18.87903 
1 1 1   13   24    5 o   16.771   7.2648   0.4262   3.3498  -2.5029   6.5836   1.4495   3.8912   19.750   9.1943   18.983   8.0142 0.7678833 12.19685 
1 1 1   13   24    6 o   42.552   3.4665   14.036   2.1802   2.2072   6.7178   15.429   2.3049   22.930   10.102   44.612   3.4931 -21.68184 10.68889 
1 1 1   13   24    7 o   45.549   4.5623   16.610   3.0567   16.928   7.2953   16.542   3.3664   38.792   11.666   45.080   5.0982 -6.287327 12.73104 
1 1 1   13   24    8 o   26.892   8.1181   6.9230   3.5279   8.0434   10.371   6.7764   3.7517   27.393   12.279   26.422   8.4372 0.9709740 14.89823 
1 1 1   13   24    9 o   18.017   7.7054   1.6895   3.6775   7.8719   6.4383  -1.3044   4.4804   26.230   10.613   16.366   7.6075 9.863453 13.05771 
1 1 1   13   25    0 o   34.050   18.999   17.974   14.374   17.974   14.374   17.974   14.374   34.050   18.999   34.050   18.999 0.000000 0.000000 
1 1 1   13   25    1 f   19.465   9.4915  -9.3405   8.9518 -26.6076   12.288   10.189   13.068   18.646   9.4062   31.251   13.912 -12.60525 16.79317 
1 1 1   13   25    2 o   17.029   8.1596  -5.2403   5.9295 -13.5300   8.1054   4.3032   8.6969   16.956   8.4126   26.019   11.477 -9.062956 14.22984 
1 1 1   13   25    3 o   26.120   9.9564   6.3009   5.3813   4.6636   7.2660   8.2900   8.0086   25.238   10.813   28.726   11.756 -3.487202 15.97269 
1 1 1   13   25    4 f   27.208   10.138   7.3047   5.5085   16.031   7.7766  -1.4830   7.8038   37.016   12.173   21.229   9.9251 15.78713 15.70660 
1 1 1   13   25    5 o   25.794   7.7238   6.1599   3.2031   11.616   6.7635   4.5826   3.6367   31.853   11.327   22.701   8.2753 9.151955 14.02749 
1 1 1   13   25    6 o   32.966   3.8501   8.6403   1.8567   5.6126   6.7093   8.8914   1.9322   24.687   10.479   33.389   3.9584 -8.701735 11.20133 
1 1 1   13   25    7 o   41.298   4.3124   13.805   2.6161   15.116   7.1097   13.599   2.8135   34.317   11.646   40.671   4.7280 -6.354210 12.56955 
1 1 1   13   25    8 o   16.598   7.3874   0.6649   3.6836   10.087   6.4055  -3.9907   4.5025   27.862   10.800   14.415   6.9588 13.44668 12.84762 
1 1 1   13   26    0 o   17.371   11.318   1.2780   7.1102   1.2780   7.1102   1.2780   7.1102   17.371   11.318   17.371   11.318 0.000000 0.000000 
1 1 1   13   26    1 o   14.863   7.2404  -6.2064   5.1723  -3.7569   7.1778  -8.8522   7.4599   18.885   9.0297   17.106   8.4083 1.778870 12.33838 
1 1 1   13   26    2 o   17.436   8.1022  -1.4298   5.0762  -2.3578   7.2215  -0.5235   7.1369   19.550   9.2646   20.472   9.5446 -0.9222889 13.30155 
1 1 1   13   26    3 o   28.957   10.084   9.2567   5.3401   10.412   7.4421   8.0309   7.6669   29.019   11.522   26.704   11.260 2.314983 16.11077 
1 1 1   13   26    4 o   16.692   7.8889  -2.3960   5.1701  -6.0030   7.0133   1.8971   7.6514   17.311   8.4326   21.872   10.087 -4.560492 13.14783 
1 1 1   13   26    5 o   33.093   9.8338   12.314   5.2070   15.001   6.9575   8.8923   7.8506   33.747   11.521   26.414   11.276 7.333763 16.12087 
1 1 1   13   26    6 o   40.626   2.8674   12.855   1.7257   7.2065   6.7447   13.251   1.7851   24.484   10.452   41.214   2.9239 -16.72989 10.85342 
1 1 1   13   27    0 o   22.182   13.021   6.9781   7.2643   6.9781   7.2643   6.9781   7.2643   22.182   13.021   22.182   13.021 0.000000 0.000000 
1 1 1   13   27    1 o   22.553   9.3985   5.1619   5.2451   9.9678   7.2372  -0.1550   7.6124   26.967   11.122   19.959   9.4739 7.007511 14.60993 
1 1 1   13   27    2 o   15.507   7.4590  -3.4225   5.0640  -4.6456   7.1849  -2.2152   7.1385   17.472   8.5163   18.477   8.8795 -1.004648 12.30340 
1 1 1   13   27    3 o   18.462   8.4417   1.0645   5.2019  -9.9234   7.3219   12.263   7.3918   15.659   7.8063   28.488   11.426 -12.82892 13.83789 
1 1 1   14    1    0 f  489.895   3.5555  1789.74   25.967  1789.74   25.967  1789.74   25.967  489.895   3.5555  489.895   3.5555 0.000000 0.000000 
1 1 1   14    1    1 o  450.503   2.5777  1513.29   17.314  1547.79   22.954  1467.73   26.373  455.579   3.3792  443.610   3.9873 11.96844 5.226640 
1 1 1   14    1    2 o  175.737   2.0114  230.260   5.2701  231.231   6.5218  228.432   8.9466  176.102   2.4839  175.018   3.4285 1.083649 4.233702 
1 1 1   14    1    3 o  515.071   2.5999  1978.17   19.966  2007.39   28.597  1950.38   27.888  518.806   3.6969  511.389   3.6577 7.417480 5.200540 
1 1 1   14    1    4 o  342.423   2.5324  874.281   12.929  880.993   15.141  856.209   24.844  343.722   2.9544  338.773   4.9186 4.949524 5.737710 
1 1 1   14    1    5 o  439.844   2.3942  1442.53   15.701  1433.90   22.093  1451.33   22.318  438.484   3.3793  441.139   3.3931 -2.655701 4.788845 
1 1 1   14    1    6 f   43.407   4.8353   14.234   3.0762   17.264   4.4641   11.494   4.2449   47.652   6.4490   38.546   7.6559 9.105068 10.01013 
1 1 1   14    1    7 f  364.907   2.4653  992.971   13.413  993.944   21.493  992.351   17.166  364.998   3.9494  364.757   3.1563 0.2411499 5.055735 
1 1 1   14    1    8 o  290.070   2.5623  627.526   11.082  624.065   15.422  631.221   15.934  289.210   3.5765  290.857   3.6744 -1.646637 5.127628 
1 1 1   14    1    9 o  159.594   2.1682  189.953   5.1591  197.393   7.5467  183.426   7.0689  162.654   3.1119  156.798   3.0237 5.856430 4.338974 
1 1 1   14    1   10 o  227.244   1.9585  385.137   6.6358  388.994   10.318  382.417   8.6655  228.311   3.0312  226.405   2.5670 1.905151 3.972173 
1 1 1   14    1   11 o  289.329   2.0419  624.425   8.8084  637.903   13.842  615.252   11.419  292.313   3.1759  287.137   2.6673 5.176453 4.147370 
1 1 1   14    1   12 o   97.723   2.4774   71.267   3.6097   73.020   6.1288   70.336   4.4666   98.824   4.1595   97.055   3.0866 1.769135 5.179636 
1 1 1   14    1   13 o   57.534   3.9835   24.874   3.3961   26.636   5.3160   23.660   4.4144   59.243   6.1059   55.920   5.3603 3.322689 8.124966 
1 1 1   14    1   14 o   56.634   4.0655   24.127   3.4100   18.099   5.4667   27.966   4.3628   48.327   7.8568   60.889   4.8459 -12.56169 9.230990 
1 1 1   14    1   15 o  162.781   2.2978  197.815   5.5768  187.585   9.2836  203.591   6.9757  158.300   3.9334  165.079   2.8342 -6.779343 4.848120 
1 1 1   14    1   16 o   86.940   3.3127   56.558   4.2941   43.924   6.8727   64.649   5.4997   76.040   6.1136   92.874   3.9717 -16.83420 7.290469 
1 1 1   14    1   17 o   76.578   3.5876   43.994   4.0961   42.604   6.9039   44.749   5.0885   74.633   6.2621   76.977   4.4527 -2.343559 7.683797 
1 1 1   14    1   18 o   43.671   5.5002   14.760   3.5019   16.718   5.9404   13.717   4.3352   45.234   9.1228   41.523   7.2672 3.710987 11.66351 
1 1 1   14    1   19 o   51.038   4.8611   20.112   3.6544   25.507   5.5142   15.887   4.8800   56.742   6.6437   44.168   7.6898 12.57476 10.16223 
1 1 1   14    1   20 o   23.485   8.2837   4.2788   3.6106   8.7388   5.1715   0.0372   5.0433   31.475   9.8894   20.046   8.7943 11.42838 13.23404 
1 1 1   14    2    0 o  541.662   3.8116  2188.02   30.779  2188.02   30.779  2188.02   30.779  541.662   3.8116  541.662   3.8116 0.000000 0.000000 
1 1 1   14    2    1 o  209.337   1.9419  326.726   6.0609  330.918   8.1201  321.451   9.1074  210.667   2.5852  207.625   2.9420 3.041565 3.916470 
1 1 1   14    2    2 o  162.392   1.8849  196.617   4.5638  200.650   6.2327  191.954   6.7012  164.042   2.5483  160.445   2.8013 3.597549 3.786939 
1 1 1   14    2    3 o  182.489   1.9888  248.294   5.4113  247.004   7.1454  250.029   8.2862  182.006   2.6331  183.111   3.0351 -1.104782 4.018089 
1 1 1   14    2    4 o  524.204   2.6556  2049.02   20.755  2072.59   29.590  2026.20   29.121  527.145   3.7648  521.214   3.7473 5.931274 5.311887 
1 1 1   14    2    5 o  379.477   2.4400  1073.77   13.805  1074.94   21.848  1072.99   17.812  379.619   3.8601  379.310   3.1495 0.3084412 4.981946 
1 1 1   14    2    6 o  246.845   1.9988  454.325   7.3563  451.503   10.397  457.154   10.409  246.054   2.8342  247.590   2.8198 -1.535583 3.997979 
1 1 1   14    2    7 o  155.800   2.1028  181.002   4.8846  185.773   7.0340  176.558   6.7883  157.819   2.9893  153.856   2.9592 3.963287 4.206299 
1 1 1   14    2    8 o  235.254   2.0718  412.719   7.2671  424.743   10.557  401.888   10.019  238.617   2.9673  232.112   2.8950 6.505096 4.145570 
1 1 1   14    2    9 o  244.947   1.9427  447.450   7.0950  451.204   10.979  444.759   9.2972  245.911   2.9944  244.177   2.5537 1.733948 3.935503 
1 1 1   14    2   10 o  128.578   2.1454  123.316   4.1130  122.247   6.3824  124.076   5.3788  127.967   3.3451  128.947   2.7977 -0.9808121 4.360847 
1 1 1   14    2   11 o  173.396   2.0572  224.283   5.3184  230.873   8.5294  220.090   6.8029  175.840   3.2533  171.731   2.6569 4.109711 4.200392 
1 1 1   14    2   12 o  107.291   2.5161   85.915   4.0249   84.824   6.3821   86.635   5.1863  106.513   4.0187  107.700   3.2298 -1.186615 5.155748 
1 1 1   14    2   13 o   69.160   4.0246   35.902   4.1320   38.410   6.4810   34.185   5.3635   71.227   6.1635   67.293   5.3910 3.933891 8.188497 
1 1 1   14    2   14 o   80.776   3.1471   48.761   3.7902   53.798   6.4734   46.133   4.6753   84.516   5.1619   78.408   4.0127 6.108719 6.538126 
1 1 1   14    2   15 o  103.456   3.0338   79.998   4.6797   70.678   7.2577   86.630   6.1223   96.892   5.0413  107.577   3.8170 -10.68464 6.323323 
1 1 1   14    2   16 o   54.505   4.6594   22.485   3.7501   23.507   6.4380   21.960   4.6136   54.943   8.1023   53.626   5.8659 1.317089 10.00280 
1 1 1   14    2   17 o  158.040   2.6032  186.881   6.1340  196.640   9.7515  180.492   7.8907  161.695   4.0449  155.111   3.4120 6.584305 5.291737 
1 1 1   14    2   18 o   29.817   7.6242   7.2127   3.4027   10.293   5.6645   5.4733   4.2563   35.138   10.207   26.747   9.0115 8.391329 13.61568 
1 1 1   14    2   19 o   13.657   6.3934  -2.8918   3.2567   4.3101   5.0980  -7.8569   4.2330   25.344   9.6836   13.005   6.3805 12.33841 11.59671 
1 1 1   14    2   20 o   80.951   3.3078   49.787   3.9924   50.290   6.2313   49.437   5.1999   80.080   5.2480   79.998   4.3762 0.8277130E-01 6.833179 
1 1 1   14    3    0 o  477.330   4.4896  1699.51   31.946  1699.51   31.946  1699.51   31.946  477.330   4.4896  477.330   4.4896 0.000000 0.000000 
1 1 1   14    3    1 o  454.018   2.7294  1537.04   18.476  1541.04   29.437  1534.44   23.733  454.530   4.3438  453.600   3.5092 0.9302063 5.584122 
1 1 1   14    3    2 o  547.995   2.9557  2239.30   24.149  2269.68   31.842  2198.17   37.052  551.645   3.8714  542.836   4.5780 8.809631 5.995474 
1 1 1   14    3    3 o  622.568   3.0153  2890.37   27.989  2916.59   39.659  2864.35   39.505  625.286   4.2540  619.659   4.2759 5.627563 6.031583 
1 1 1   14    3    4 o  266.032   1.9776  527.685   7.8443  521.765   10.938  533.954   11.256  264.517   2.7733  267.588   2.8214 -3.070648 3.956161 
1 1 1   14    3    5 o  326.116   2.3416  793.027   11.385  767.444   14.122  840.541   19.246  320.790   2.9526  335.676   3.8454 -14.88559 4.848147 
1 1 1   14    3    6 o  104.963   2.4515   82.158   3.8366   82.188   5.4272   82.128   5.4243  104.965   3.4678  104.927   3.4672 0.3814697E-01 4.903836 
1 1 1   14    3    7 o  143.639   2.1942  153.859   4.6992  157.132   6.7600  150.798   6.5369  145.135   3.1240  142.181   3.0836 2.953934 4.389488 
1 1 1   14    3    8 o  180.102   1.9352  241.890   5.1965  236.924   7.9597  245.579   6.8601  178.204   2.9958  181.450   2.5357 -3.245575 3.924872 
1 1 1   14    3    9 o  238.529   1.9574  424.330   6.9613  437.310   10.914  415.430   9.0383  242.079   3.0239  235.978   2.5689 6.100800 3.967775 
1 1 1   14    3   10 o  348.707   2.4942  907.257   12.968  933.076   21.349  892.161   16.324  353.387   4.0519  345.703   3.1671 7.683746 5.142787 
1 1 1   14    3   11 o  251.245   2.0138  470.896   7.5437  465.499   11.752  474.679   9.8384  249.680   3.1568  252.195   2.6165 -2.514252 4.100151 
1 1 1   14    3   12 o  182.417   2.4840  248.369   6.7560  257.240   11.305  243.441   8.4261  185.455   4.0885  180.535   3.1304 4.920807 5.149252 
1 1 1   14    3   13 o   45.145   5.9166   15.572   3.8867   21.909   6.1716   11.406   5.0035   53.252   8.0220   38.019   8.9715 15.23255 12.03490 
1 1 1   14    3   14 o   32.359   7.4541   8.2290   3.5223   0.2128   5.2451   14.813   4.7535   21.781   9.2557   43.649   7.5790 -21.86866 11.96279 
1 1 1   14    3   15 o   32.618   7.7747   8.3946   3.7276   7.1074   6.0048   9.2015   4.7546   31.407   10.703   34.112   9.1564 -2.705128 14.08534 
1 1 1   14    3   16 o   90.872   3.5052   61.870   4.7492   61.756   7.6006   61.943   6.0828   90.251   5.6773   90.779   4.4941 -0.5280304 7.240808 
1 1 1   14    3   17 o   53.050   5.2540   21.529   4.1010   24.011   7.8384   20.594   4.8123   54.390   10.035   51.557   6.3977 2.832550 11.90133 
1 1 1   14    3   18 o   67.395   3.8203   34.432   3.8229   19.067   6.7932   41.554   4.6248   47.715   9.8744   73.928   4.2132 -26.21365 10.73565 
1 1 1   14    3   19 o   18.668   7.4615   1.6864   3.1405   6.5942   5.1559  -1.2085   3.9598   28.500   9.9091   16.891   7.5782 11.60955 12.47470 
1 1 1   14    3   20 o   27.901   7.7491   6.6823   3.3386   7.8077   5.0065   5.7810   4.4802   29.610   9.7688   26.276   9.2312 3.333961 13.44043 
1 1 1   14    4    0 o  310.586   2.9055  719.412   13.452  719.412   13.452  719.412   13.452  310.586   2.9055  310.586   2.9055 0.000000 0.000000 
1 1 1   14    4    1 o  129.370   2.4856  124.798   4.7944  130.315   5.5037  107.435   9.7636  132.195   2.7923  119.983   5.4579 12.21288 6.130690 
1 1 1   14    4    2 o   45.204   5.5810   15.482   3.6816   28.965   6.7384   9.7448   4.3957   61.823   7.4612   35.401   8.4459 26.42170 11.26953 
1 1 1   14    4    3 f  245.598   1.9563  449.734   7.1636  444.071   9.8684  456.042   10.416  244.030   2.7123  247.294   2.8249 -3.264130 3.916163 
1 1 1   14    4    4 o  191.849   1.9456  274.431   5.5653  270.284   7.7575  278.828   7.9886  190.379   2.7330  193.364   2.7709 -2.984604 3.891925 
1 1 1   14    4    5 o  306.509   2.3120  700.560   10.566  711.107   13.416  683.335   17.145  308.783   2.9140  302.647   3.7996 6.135895 4.788356 
1 1 1   14    4    6 o  180.996   2.0226  244.281   5.4583  242.428   7.6623  246.191   7.7773  180.286   2.8505  181.679   2.8711 -1.393204 4.045868 
1 1 1   14    4    7 o  133.195   2.1559  132.305   4.2815  131.946   7.3038  132.493   5.2847  132.969   3.6841  133.277   2.6595 -0.3086700 4.543715 
1 1 1   14    4    8 o  140.537   2.0333  147.298   4.2605  146.697   6.6687  147.713   5.5380  140.208   3.1900  140.715   2.6396 -0.5070190 4.140543 
1 1 1   14    4    9 o   95.908   2.6211   68.631   3.7481   69.032   5.3755   68.251   5.2289   96.145   3.7499   95.603   3.6683 0.5414429 5.245806 
1 1 1   14    4   10 o  229.143   2.1189  391.694   7.2390  387.894   10.400  395.264   10.082  227.945   3.0602  230.113   2.9386 -2.168121 4.242637 
1 1 1   14    4   11 o  152.210   2.1415  172.855   4.8599  170.822   7.6531  174.228   6.2911  151.219   3.3944  152.772   2.7619 -1.553192 4.376097 
1 1 1   14    4   12 o  221.578   2.2372  366.400   7.3911  377.797   13.417  361.434   8.8562  224.735   4.0041  220.018   2.6997 4.716934 4.829184 
1 1 1   14    4   13 o   24.662   8.0113   4.4622   3.3719   6.6695   5.0141   2.6399   4.5559   30.019   9.7701   23.381   9.0955 6.637980 13.34852 
1 1 1   14    4   14 o   94.337   3.5592   66.576   5.0062   54.255   7.9655   74.619   6.4363   84.611   6.3608   99.791   4.3258 -15.18060 7.692348 
1 1 1   14    4   15 o  148.245   2.3756  164.141   5.2508  162.874   8.6179  164.889   6.6219  147.434   3.9204  148.501   2.9907 -1.067017 4.930947 
1 1 1   14    4   16 o  142.454   2.7111  151.792   5.7583  160.594   11.447  148.811   6.6627  145.849   5.2640  140.961   3.1702 4.888107 6.144857 
1 1 1   14    4   17 o   63.808   4.1857   30.846   3.9600   51.187   8.5070   25.219   4.4743   81.182   7.0996   57.381   5.2893 23.80081 8.853309 
1 1 1   14    4   18 o   30.616   7.4698   7.6730   3.3796   3.8901   6.4911   9.0799   3.9584   26.664   10.703   33.157   8.0810 -6.492382 13.41068 
1 1 1   14    4   19 f   46.716   4.9307   17.021   3.3825   13.079   5.3798   19.598   4.3498   38.739   9.4080   49.665   5.9956 -10.92580 11.15607 
1 1 1   14    5    0 o  164.679   2.7876  202.372   6.8400  202.372   6.8400  202.372   6.8400  164.679   2.7876  164.679   2.7876 0.000000 0.000000 
1 1 1   14    5    1 o  152.514   2.3299  173.443   5.2980  177.318   6.0725  161.094   10.841  154.203   2.6412  146.927   4.9488 7.276642 5.609485 
1 1 1   14    5    2 o  178.230   2.0807  236.856   5.5292  241.414   8.2438  233.129   7.4546  179.917   3.0731  176.809   2.8278 3.108734 4.176197 
1 1 1   14    5    3 o  453.103   2.7140  1531.03   18.335  1605.08   30.644  1489.74   22.883  463.800   4.4315  446.906   3.4341 16.89426 5.606381 
1 1 1   14    5    4 o  407.725   2.3035  1239.64   14.003  1249.02   19.814  1230.28   19.792  409.209   3.2476  406.125   3.2685 3.083374 4.607641 
1 1 1   14    5    5 o  280.063   2.0210  584.874   8.4392  568.017   11.726  602.986   12.155  275.964   2.8500  284.331   2.8672 -8.367004 4.042677 
1 1 1   14    5    6 o  487.115   2.5719  1769.77   18.679  1778.16   26.675  1761.69   26.164  488.144   3.6651  485.887   3.6116 2.257690 5.145540 
1 1 1   14    5    7 o  183.988   1.9987  252.453   5.4829  258.580   8.1046  247.283   7.4452  186.169   2.9198  182.065   2.7427 4.103683 4.005965 
1 1 1   14    5    8 o  281.569   2.1264  591.337   8.9267  588.123   16.093  592.766   10.729  280.638   3.8461  281.877   2.5528 -1.239014 4.616161 
1 1 1   14    5    9 o   57.462   4.0526   24.794   3.4498   19.275   5.4523   28.478   4.4549   50.105   7.5313   61.510   4.8982 -11.40481 8.984046 
1 1 1   14    5   10 o  193.028   2.2052  277.992   6.3466  279.039   9.0661  276.986   8.8875  193.311   3.1455  192.603   3.0949 0.7073822 4.412795 
1 1 1   14    5   11 o  132.153   2.2392  130.324   4.4121  120.644   6.7488  137.548   5.8307  127.056   3.5625  135.723   2.8813 -8.667755 4.581902 
1 1 1   14    5   12 o  173.683   2.3539  225.169   6.0957  235.917   11.246  220.697   7.2536  177.524   4.2489  171.901   2.8301 5.623627 5.105151 
1 1 1   14    5   13 o   36.112   6.7985   10.152   3.5261   12.226   5.1326   8.2982   4.8526   39.328   8.9539   32.622   9.4387 6.706245 13.01003 
1 1 1   14    5   14 o   36.404   7.4262   10.392   3.8942   10.344   5.5250   10.439   5.4897   36.153   9.9407   36.303   9.8787 -0.1500778 14.01451 
1 1 1   14    5   15 o   46.401   5.4449   16.441   3.6953   25.514   5.8607   10.454   4.7610   57.590   6.9671   36.222   8.8833 21.36790 11.28957 
1 1 1   14    5   16 o  109.866   2.9782   90.401   4.8785   76.642   9.6032   95.187   5.6638  100.112   6.4683  112.664   3.3718 -12.55190 7.294321 
1 1 1   14    5   17 o   49.314   4.8684   18.639   3.5328   7.1748   5.8365   25.267   4.4382   30.560   10.547   57.370   5.2466 -26.81089 11.78034 
1 1 1   14    5   18 o   46.257   4.9006   16.570   3.3284   16.046   5.5642   16.861   4.1534   43.801   8.8253   46.172   6.1890 -2.371319 10.77913 
1 1 1   14    5   19 o   16.986   7.1663   0.6781   3.1078  -2.7227   4.7921   3.1466   4.0827   17.229   7.9591   22.157   8.6127 -4.927704 11.72720 
1 1 1   14    6    0 o  346.454   3.0318  895.193   15.658  895.193   15.658  895.193   15.658  346.454   3.0318  346.454   3.0318 0.000000 0.000000 
1 1 1   14    6    1 o  128.957   1.9979  123.998   3.8413  116.634   4.9742  134.877   6.0462  125.060   2.6677  134.478   3.0155 -9.418816 4.026139 
1 1 1   14    6    2 o  227.182   2.1925  384.855   7.4264  389.706   8.9520  374.148   13.300  228.597   2.6265  223.936   3.9834 4.661301 4.771388 
1 1 1   14    6    3 o  134.885   2.0627  135.667   4.1483  129.267   5.6486  143.160   6.1118  131.651   2.8777  138.542   2.9588 -6.891922 4.127442 
1 1 1   14    6    4 o  272.061   1.8247  551.908   7.4018  553.473   11.333  550.744   9.7744  272.408   2.7904  271.753   2.4124 0.6554565 3.688615 
1 1 1   14    6    5 o  119.848   2.1282  107.115   3.8028  104.698   5.4323  109.438   5.3254  118.466   3.0755  121.122   2.9489 -2.655502 4.260812 
1 1 1   14    6    6 o  347.677   2.6524  901.710   13.749   0.0000   0.0000  901.710   13.749  ?   ?   347.677   2.6524 0.000000 2.652355 
1 1 1   14    6    7 o  233.252   1.8611  405.747   6.4723  404.778   10.025  406.439   8.4751  232.911   2.8870  233.419   2.4352 -0.5079346 3.776889 
1 1 1   14    6    8 o   23.057   7.3732   3.8998   2.8643   4.0132   5.4798   3.8572   3.3598   26.810   10.087   23.563   8.0062 3.247444 12.87833 
1 1 1   14    6    9 o  174.156   2.3036  226.299   5.9816  217.182   7.8702  238.768   9.2042  170.555   3.0949  178.796   3.4527 -8.241852 4.636777 
1 1 1   14    6   10 o  165.534   2.2755  204.470   5.6160  211.610   8.0536  197.711   7.8354  168.320   3.2091  162.697   3.2301 5.623703 4.553185 
1 1 1   14    6   11 o   67.543   3.5819   34.199   3.5943   31.149   5.0224   37.400   5.1460   64.232   5.2913   70.476   4.9284 -6.243408 7.231001 
1 1 1   14    6   12 o  187.597   2.5044  262.768   7.0048  280.097   16.710  259.074   7.7154  193.023   5.8062  186.240   2.7785 6.783569 6.436817 
1 1 1   14    6   13 o   46.427   5.5133   16.427   3.7418   20.577   5.6099   13.101   5.0222   51.619   7.5092   40.779   8.5342 10.84063 11.36746 
1 1 1   14    6   14 o  205.624   2.4551  315.813   7.5269  325.914   10.904  306.619   10.403  208.677   3.5046  202.419   3.4469 6.258209 4.915652 
1 1 1   14    6   15 o   68.378   3.9028   35.190   3.9624   30.825   6.3830   37.928   5.0541   63.328   6.8703   70.824   4.8148 -7.495922 8.389480 
1 1 1   14    6   16 o   48.123   5.8320   17.857   4.0990   19.770   8.0214   17.181   4.7686   48.803   11.254   46.840   7.0464 1.963436 13.27786 
1 1 1   14    6   17 o   44.510   5.1978   15.325   3.3845   13.714   5.4071   16.363   4.3397   40.650   9.1430   45.538   6.5828 -4.887611 11.26625 
1 1 1   14    6   18 o   80.237   3.4799   48.765   4.1630   59.687   8.5261   45.346   4.7703   86.767   6.6410   77.004   4.1704 9.763420 7.841942 
1 1 1   14    6   19 o   21.846   8.2153   3.3934   3.6338   3.8022   6.0980   3.1684   4.5249   25.044   10.255   22.571   8.9774 2.472921 13.62910 
1 1 1   14    7    0 o  706.267   4.7148  3721.28   49.644  3721.28   49.644  3721.28   49.644  706.267   4.7148  706.267   4.7148 0.000000 0.000000 
1 1 1   14    7    1 o  384.145   2.2293  1100.43   12.768  1135.44   18.367  1067.69   17.762  390.148   3.1574  378.331   3.1489 11.81778 4.459258 
1 1 1   14    7    2 o   79.976   2.2661   47.698   2.7021   47.142   3.6468   48.375   4.0238   79.497   3.0767   80.526   3.3514 -1.028694 4.549539 
1 1 1   14    7    3 o   35.316   4.1055   9.4340   2.1214   11.494   3.1456   7.7155   2.8730   38.827   5.5953   31.569   6.3244 7.258301 8.444215 
1 1 1   14    7    4 o  298.305   1.9812  663.583   8.8118  674.509   12.861  653.916   12.098  300.700   2.8686  296.083   2.7404 4.617340 3.967197 
1 1 1   14    7    5 o  265.589   2.1658  526.072   8.5763  540.392   13.216  515.657   11.272  269.103   3.2940  262.903   2.8756 6.199982 4.372581 
1 1 1   14    7    6 o  277.712   2.0745  575.219   8.5895  576.179   12.018  574.216   12.282  277.883   2.9006  277.403   2.9694 0.4798889 4.151007 
1 1 1   14    7    7 o  179.846   1.8788  241.236   5.0380  246.283   7.9383  237.832   6.5191  181.658   2.9309  178.544   2.4489 3.114075 3.819327 
1 1 1   14    7    8 o  112.662   2.6779   94.727   4.4983   96.258   12.256   94.489   4.8357  112.939   7.3181  112.511   2.8827 0.4279404 7.865353 
1 1 1   14    7    9 o   64.458   3.7017   31.151   3.5426   28.672   4.6444   34.599   5.4782   61.667   5.0971   67.729   5.4716 -6.062347 7.477865 
1 1 1   14    7   10 o  296.224   2.2513  654.835   9.9431  649.041   14.054  660.641   14.069  294.754   3.1980  297.382   3.1731 -2.627258 4.505069 
1 1 1   14    7   11 o   93.809   2.7025   65.718   3.7798   66.516   5.8733   65.153   4.9384   94.263   4.1790   93.346   3.5483 0.9167175 5.482200 
1 1 1   14    7   12 o   59.959   4.9411   27.158   4.3779   0.0000   0.0000   27.158   4.3779  ?   ?    59.959   4.9411 0.000000 4.941148 
1 1 1   14    7   13 o   67.931   4.3798   34.740   4.4124   38.252   7.2918   32.711   5.5422   70.785   7.0009   65.679   5.7166 5.105644 9.038327 
1 1 1   14    7   14 o  141.799   2.9933  150.377   6.3284  142.876   8.2757  160.940   9.8208  138.039   4.0210  146.398   4.4993 -8.359665 6.034204 
1 1 1   14    7   15 o   32.277   8.5951   8.3261   4.2100   12.346   7.0039   6.0518   5.2680   39.007   11.355   28.950   10.019 10.05696 15.14309 
1 1 1   14    7   16 o  122.483   3.2730  112.688   5.9771  113.430   14.720  112.541   6.5406  120.233   8.2616  122.311   3.5866 -2.077141 9.006580 
1 1 1   14    7   17 o   32.627   8.3100   8.8307   4.0536   13.683   10.595   7.9986   4.3874   39.400   14.159   31.007   8.9758 8.393076 16.76420 
1 1 1   14    7   18 o   50.410   5.3074   19.929   3.9291   13.937   6.5983   23.220   4.8908   39.152   10.901   53.997   6.1866 -14.84414 12.53430 
1 1 1   14    7   19 o   20.644   8.0725   2.7548   3.6030   8.0307   6.2671   0.1502   4.4035   29.778   10.862   18.715   8.2138 11.06228 13.61796 
1 1 1   14    8    0 o   67.198   2.5829   33.819   2.5791   33.819   2.5791   33.819   2.5791   67.198   2.5829   67.198   2.5829 0.000000 0.000000 
1 1 1   14    8    1 o  191.289   1.8656  272.856   5.3208  263.790   11.684  275.228   5.9765  187.985   4.1686  192.112   2.0865 -4.127090 4.661624 
1 1 1   14    8    2 o  259.408   1.9483  501.810   7.5356  489.133   10.275  516.565   11.085  256.075   2.6911  263.150   2.8253 -7.074982 3.901852 
1 1 1   14    8    3 o  199.601   1.7801  297.087   5.2976  300.524   7.8100  294.159   7.2099  200.720   2.6097  198.591   2.4350 2.129181 3.569288 
1 1 1   14    8    4 o  149.154   2.0349  165.914   4.5252  170.655   9.4939  164.520   5.1476  151.169   4.2122  148.517   2.3247 2.652679 4.811112 
1 1 1   14    8    5 o   17.443   6.7075   1.5013   2.4557   1.8539   3.6105   1.1977   3.3498   20.581   8.0717   19.033   7.6712 1.547880 11.13558 
1 1 1   14    8    6 o  125.968   2.2477  118.371   4.2216  121.540   5.7399  114.637   6.2307  127.609   3.0168  123.914   3.3725 3.695335 4.524900 
1 1 1   14    8    7 o   95.910   2.4529   68.638   3.5076   63.250   6.0679   71.342   4.2986   91.974   4.4249   97.761   2.9491 -5.786873 5.317580 
1 1 1   14    8    8 o  143.096   2.1942  152.778   4.6813  137.868   8.0301  160.453   5.7617  135.806   3.9658  146.619   2.6356 -10.81357 4.761769 
1 1 1   14    8    9 o   17.103   7.1169   0.4896   3.0014  -1.2803   4.4498   1.9671   4.0656   18.608   8.2086   21.593   8.5344 -2.985109 11.84129 
1 1 1   14    8   10 o  112.225   2.7020   94.047   4.5210  101.315   7.1490   89.203   5.8362  116.351   4.1210  109.227   3.5837 7.124222 5.461304 
1 1 1   14    8   11 o  117.027   2.4093  102.252   4.2038   96.607   6.5305  106.247   5.4932  113.615   3.8551  119.232   3.0900 -5.616837 4.940702 
1 1 1   14    8   12 f   95.447   2.8246   68.073   4.0196   62.186   6.2214   72.292   5.2664   90.936   4.6036   98.289   3.5937 -7.353050 5.840172 
1 1 1   14    8   13 o   53.700   5.2288   21.890   4.1334   27.120   5.6305   15.778   6.0870   59.577   6.4412   44.561   9.4545 15.01605 11.44014 
1 1 1   14    8   14 o   54.780   5.4763   22.864   4.4129   34.443   8.0688   17.922   5.2711   66.562   8.3115   47.909   7.6355 18.65273 11.28635 
1 1 1   14    8   15 o  111.661   3.1287   93.467   5.2088   88.975   9.4226   95.445   6.2508  108.041   5.8714  112.707   3.7198 -4.665359 6.950546 
1 1 1   14    8   16 o  109.581   3.4472   90.418   5.6321   87.508   12.585   91.147   6.2980  105.213   8.0846  109.888   3.8440 -4.674828 8.951947 
1 1 1   14    8   17 o   83.554   3.4507   52.813   4.2987   46.251   7.7248   55.757   5.1739   76.316   6.8623   85.616   4.0532 -9.299416 7.969868 
1 1 1   14    8   18 o   29.709   9.0558   7.6816   4.3745   8.2492   6.5421   7.2226   5.8832   30.759   11.116   29.203   10.544 1.556429 15.32122 
1 1 1   14    9    0 o  151.650   6.4831  172.676   14.598  172.676   14.598  172.676   14.598  151.650   6.4831  151.650   6.4831 0.000000 0.000000 
1 1 1   14    9    1 o   95.395   2.5630   67.884   3.6453   59.973   10.035   69.086   3.9126   89.123   7.6257   96.232   2.7269 -7.109421 8.098569 
1 1 1   14    9    2 o  177.646   2.3821  235.395   6.3093  244.465   14.686  233.342   6.9870  180.818   5.4473  176.857   2.6497 3.960541 6.057537 
1 1 1   14    9    3 o  106.984   2.2546   85.373   3.5963   93.886   10.880   84.329   3.8105  111.772   6.5573  106.324   2.4037 5.448380 6.983930 
1 1 1   14    9    4 o   69.708   2.8053   36.259   2.9156   44.982   8.5187   35.102   3.1030   77.058   7.5100   68.581   3.0347 8.477089 8.099934 
1 1 1   14    9    5 o  158.318   2.4939  187.011   5.8867  187.295   9.5405  186.837   7.4804  158.329   4.0415  158.203   3.1713 0.1264343 5.137220 
1 1 1   14    9    6 o  140.354   1.9773  146.945   4.1378  147.071   6.1538  146.840   5.5901  140.363   2.9405  140.269   2.6729 0.9416199E-01 3.973804 
1 1 1   14    9    7 o   38.763   4.4502   11.387   2.5253   10.396   3.7044   12.247   3.4517   36.580   7.0478   39.975   5.9745 -3.394825 9.239384 
1 1 1   14    9    8 o   98.078   2.4420   71.795   3.5709   74.790   5.2745   69.260   4.8520  100.038   3.5363   96.279   3.3800 3.758865 4.891809 
1 1 1   14    9    9 o   64.071   4.0351   30.836   3.8350   21.550   6.1746   36.667   4.8932   52.793   8.1033   69.799   4.7298 -17.00536 9.382732 
1 1 1   14    9   10 o  129.247   2.5379  124.739   4.8907  123.278   9.0847  125.335   5.8034  128.222   4.7520  129.512   3.0054 -1.289871 5.622635 
1 1 1   14    9   11 o  101.479   3.1269   76.987   4.7311   78.684   11.439   76.636   5.1964  101.622   7.6049  101.218   3.4433 0.4045639 8.348077 
1 1 1   14    9   12 o   96.405   3.3553   69.531   4.8229   82.079   13.245   67.613   5.1784  103.371   8.6738   95.035   3.6546 8.336357 9.412232 
1 1 1   14    9   13 o   48.956   6.1276   18.385   4.3747   20.713   7.4073   17.138   5.4211   50.941   10.109   46.768   8.0658 4.172745 12.93274 
1 1 1   14    9   14 o   59.755   5.0649   27.134   4.4700   32.328   7.7569   24.551   5.4694   64.321   8.2809   56.430   6.6268 7.890350 10.60599 
1 1 1   14    9   15 o   43.536   6.3272   14.789   3.9869   13.138   7.6696   15.401   4.6670   39.663   11.969   44.120   7.3534 -4.456963 14.04713 
1 1 1   14    9   16 o   57.818   5.1035   25.762   4.3543   35.368   9.9272   23.473   4.8453   64.674   10.667   54.818   6.0279 9.856567 12.25227 
1 1 1   14    9   17 o   58.098   4.6791   26.103   4.0188   39.395   7.7957   21.292   4.6901   69.527   7.6466   51.727   6.2051 17.79996 9.847470 
1 1 1   14    9   18 o   38.643   8.0150   12.852   4.4665   12.604   6.6449   13.057   6.0326   36.194   11.184   37.331   10.434 -1.137421 15.29499 
1 1 1   14   10    0 f  114.298   5.7003   98.276   9.6590   98.276   9.6590   98.276   9.6590  114.298   5.7003  114.298   5.7003 0.000000 0.000000 
1 1 1   14   10    1 o  121.585   4.9732  110.535   9.0155  110.795   12.667  110.268   12.834  121.348   7.0314  121.040   7.1433 0.3082886 10.02335 
1 1 1   14   10    2 o   59.736   3.2776   26.718   2.9080   41.872   9.5701   25.177   3.0524   74.071   8.8403   57.959   3.5493 16.11133 9.526193 
1 1 1   14   10    3 o  115.699   2.1330   99.853   3.6794   99.051   11.201   99.950   3.8956  114.748   6.5745  115.750   2.2573 -1.001854 6.951229 
1 1 1   14   10    4 o   68.637   2.6787   35.158   2.7413   37.547   6.3944   34.620   3.0342   70.509   6.1439   68.101   2.9883 2.408249 6.832078 
1 1 1   14   10    5 o  154.039   2.5840  177.082   5.9345  171.727   14.066  178.242   6.5456  151.295   6.2357  154.525   2.8411 -3.230057 6.852368 
1 1 1   14   10    6 o   78.754   2.7295   46.299   3.2050   40.393   6.3381   48.328   3.7150   73.152   5.8604   80.446   3.0973 -7.293449 6.628504 
1 1 1   14   10    7 f   61.637   3.3913   28.473   3.1046   33.287   6.3701   26.973   3.5554   66.224   6.5368   59.922   4.0026 6.301353 7.664869 
1 1 1   14   10    8 o  203.263   2.1207  308.317   6.4271  311.522   11.866  306.987   7.6458  204.070   3.8998  202.780   2.5289 1.289612 4.648014 
1 1 1   14   10    9 o  189.558   2.4938  268.296   7.0482  285.715   11.803  258.643   8.7868  195.360   4.0522  186.026   3.1680 9.334152 5.143630 
1 1 1   14   10   10 o  117.201   2.6650  102.610   4.6570  100.586   8.4861  103.482   5.5707  115.758   4.9168  117.648   3.1758 -1.890518 5.853299 
1 1 1   14   10   11 o  218.674   2.4853  357.174   8.1030  354.733   19.030  357.715   8.9554  216.958   5.8830  218.793   2.7452 -1.834686 6.491949 
1 1 1   14   10   12 o  124.684   2.7539  116.202   5.1196  115.673   9.8046  116.400   6.0029  123.955   5.3051  124.729   3.2279 -0.7735748 6.209985 
1 1 1   14   10   13 o   96.310   3.6575   69.547   5.2520   78.316   9.0440   65.085   6.4512  101.543   6.0003   92.888   4.6731 8.655464 7.605337 
1 1 1   14   10   14 o   64.035   4.4080   31.053   4.1829   37.947   7.4897   27.928   5.0426   69.936   7.2899   60.398   5.6659 9.538094 9.232800 
1 1 1   14   10   15 o   95.816   3.2750   69.052   4.6786   63.586   9.1336   70.996   5.4476   90.390   6.8276   97.017   3.7661 -6.626785 7.797356 
1 1 1   14   10   16 o  107.708   3.3960   87.697   5.4536   89.680   13.696   87.323   5.9452  104.521   8.8723  107.332   3.7151 -2.811127 9.618664 
1 1 1   14   10   17 o   22.903   8.5690   3.7585   3.9435  -5.9772   6.2296   10.269   5.0942   17.881   8.5114   33.979   9.6201 -16.09811 12.84486 
1 1 1   14   10   18 o   28.670   8.7222   7.3884   4.0610   9.1556   6.8304   6.4221   5.0507   30.893   11.329   27.042   9.7682 3.851418 14.95865 
1 1 1   14   11    0 o  204.395   6.0648  312.987   18.445  312.987   18.445  312.987   18.445  204.395   6.0648  204.395   6.0648 0.000000 0.000000 
1 1 1   14   11    1 o   67.201   6.4309   34.180   6.3648   26.555   9.2860   40.937   8.7412   58.223   11.102   73.302   8.1353 -15.07929 13.76387 
1 1 1   14   11    2 o  176.712   2.1964  232.968   5.7870  244.890   11.312  228.742   6.7351  180.997   4.1917  175.076   2.5802 5.920654 4.922128 
1 1 1   14   11    3 o  238.432   2.2656  424.167   8.0541  404.842   13.503  434.840   10.035  232.745   3.8911  241.361   2.7885 -8.615387 4.787065 
1 1 1   14   11    4 o  172.068   2.0824  220.888   5.3423  185.958   13.937  226.905   5.7842  157.448   5.9368  174.386   2.2246 -16.93834 6.339960 
1 1 1   14   11    5 o  268.632   2.3007  538.514   9.2147  538.483   15.274  538.532   11.554  268.386   3.8169  268.559   2.8856 -0.1724243 4.784928 
1 1 1   14   11    6 o  181.704   2.0431  246.347   5.5352  232.305   10.271  252.094   6.5710  176.244   3.9087  183.781   2.3981 -7.536362 4.585673 
1 1 1   14   11    7 o   69.029   3.2536   35.610   3.3487   46.470   6.7608   32.080   3.8547   78.434   5.8229   65.359   3.9745 13.07417 7.049969 
1 1 1   14   11    8 f   34.118   6.4037   9.0481   3.1378   19.044   6.1728   5.5653   3.6437   49.372   8.7036   27.037   8.2695 22.33489 12.00575 
1 1 1   14   11    9 o   56.869   4.1352   24.355   3.4822   15.302   6.5613   27.905   4.1086   43.808   10.231   60.831   4.5633 -17.02261 11.20221 
1 1 1   14   11   10 o   70.604   3.5642   37.406   3.7399   37.935   7.2136   37.211   4.3737   70.470   6.9564   70.333   4.1898 0.1377563 8.120670 
1 1 1   14   11   11 o   37.443   7.2211   10.983   3.8852   14.073   11.014   10.543   4.1521   42.867   14.496   36.551   7.8531 6.316566 16.48684 
1 1 1   14   11   12 f   62.675   4.4411   29.661   4.1232   7.7208   7.9477   37.740   4.8230   33.688   12.241   70.705   4.6001 -37.01693 13.07643 
1 1 1   14   11   13 o  236.221   3.3897  418.445   11.939  412.426   15.210  428.104   19.269  234.068   4.3582  237.838   5.4338 -3.770340 6.965597 
1 1 1   14   11   14 o   30.977   8.7682   7.7580   4.2324   6.8117   6.9399   8.3183   5.3405   31.079   11.416   32.181   10.040 -1.102020 15.20259 
1 1 1   14   11   15 o   47.005   5.6278   17.223   3.8657   18.432   7.4238   16.773   4.5281   46.165   10.951   45.923   6.8204 0.2415237 12.90129 
1 1 1   14   11   16 o   23.155   8.2592   4.0192   3.5989   6.6628   6.4980   2.8495   4.3224   29.215   10.986   22.224   8.7948 6.990591 14.07262 
1 1 1   14   11   17 o   20.494   7.9778   2.6866   3.5069   9.8001   6.5341  -0.1917   4.1563   32.347   11.160   17.989   7.9345 14.35810 13.69333 
1 1 1   14   12    0 o  127.223   5.5910  121.644   10.559  121.644   10.559  121.644   10.559  127.223   5.5910  127.223   5.5910 0.000000 0.000000 
1 1 1   14   12    1 o   86.365   6.7416   56.399   8.6123   51.170   11.759   62.450   12.649   81.564   9.8703   90.301   9.5392 -8.736542 13.72658 
1 1 1   14   12    2 o  293.878   4.1787  645.947   18.310  636.306   25.015  657.073   26.873  291.248   5.7605  295.854   6.0921 -4.606079 8.384294 
1 1 1   14   12    3 o   69.475   3.1096   36.052   3.2211   40.381   7.1178   34.937   3.6122   72.995   6.6119   68.280   3.5605 4.714523 7.509593 
1 1 1   14   12    4 o  208.322   1.9430  323.781   6.0350  330.353   12.222  321.663   6.9401  210.176   3.9002  207.612   2.2420 2.563644 4.498690 
1 1 1   14   12    5 o   87.934   2.4377   57.720   3.1959   57.758   7.1653   57.711   3.5708   87.553   5.5172   87.912   2.7243 -0.3585663 6.153138 
1 1 1   14   12    6 o  204.586   2.0479  312.346   6.2468  312.300   11.825  312.364   7.3571  204.302   3.8821  204.552   2.4123 -0.2500763 4.570532 
1 1 1   14   12    7 o  129.374   2.4422  124.976   4.7108  121.383   8.6619  126.485   5.6136  127.248   4.5655  130.111   2.8937 -2.862633 5.405348 
1 1 1   14   12    8 o  196.506   2.2023  288.280   6.4524  302.183   12.114  282.773   7.6239  200.848   4.0452  194.561   2.6282 6.286377 4.824008 
1 1 1   14   12    9 o   75.099   3.3103   42.193   3.7066   27.057   6.8612   48.431   4.4046   59.141   7.9853   80.427   3.6731 -21.28589 8.789577 
1 1 1   14   12   10 o   84.073   4.2364   53.153   5.2932   55.693   11.114   52.408   6.0198   84.842   8.9198   83.365   4.8643 1.476845 10.15992 
1 1 1   14   12   11 o   34.722   7.3277   9.5065   3.6743   6.3186   6.4102   11.066   4.4841   30.562   11.010   37.336   8.2728 -6.774128 13.77149 
1 1 1   14   12   12 o  131.570   2.7793  129.524   5.4520  140.638   10.328  125.231   6.4193  136.516   5.0741  129.268   3.3307 7.248001 6.069612 
1 1 1   14   12   13 o  115.166   3.3006   99.553   5.6674   94.815   9.2562  102.394   7.1681  111.697   5.5580  116.575   4.1241 -4.878830 6.920987 
1 1 1   14   12   14 o  125.656   2.8513  118.555   5.3419  127.147   10.137  115.251   6.2855  129.023   5.2696  123.704   3.4079 5.318962 6.275505 
1 1 1   14   12   15 o   58.800   5.5289   26.976   4.7902   0.0000   0.0000   26.976   4.7902  ?   ?    58.800   5.5289 0.000000 5.528895 
1 1 1   14   12   16 o   65.794   4.5977   33.579   4.4818   30.757   7.1735   35.387   5.7399   60.529   8.1564   66.780   5.8231 -6.250778 10.02174 
1 1 1   14   12   17 o   51.033   7.4676   22.153   5.5138   17.220   6.8287   31.394   9.3465   42.010   10.832   56.553   11.477 -14.54368 15.78163 
1 1 1   14   13    0 o   41.259   14.482   16.832   8.0762   16.832   8.0762   16.832   8.0762   41.259   14.482   41.259   14.482 0.000000 0.000000 
1 1 1   14   13    1 o  151.295   3.4519  171.084   7.7868  163.142   10.423  181.115   11.714  147.574   4.7372  155.439   5.0544 -7.864960 6.927344 
1 1 1   14   13    2 o  211.386   3.0779  333.814   9.7008  332.108   13.165  335.841   14.350  210.656   4.1914  211.765   4.5449 -1.108154 6.182567 
1 1 1   14   13    3 o   28.650   6.0578   6.4011   2.5068   0.8567   6.4031   7.4047   2.7242   24.610   10.329   30.850   6.1386 -6.240057 12.01577 
1 1 1   14   13    4 o   63.848   2.5860   30.440   2.4617   26.269   6.9487   31.039   2.6325   58.340   8.2162   64.467   2.7388 -6.126862 8.660652 
1 1 1   14   13    5 o   52.197   4.4910   20.567   3.4611   19.925   6.3380   20.839   4.1315   50.520   8.7301   52.408   5.3629 -1.888142 10.24575 
1 1 1   14   13    6 o  163.775   2.9468  200.447   7.1957  189.762   9.8588  212.629   10.526  159.158   4.1546  168.467   4.1907 -9.309769 5.901089 
1 1 1   14   13    7 o  154.515   2.2389  178.259   5.1579  185.703   9.8139  175.418   6.0628  157.407   4.1817  153.231   2.6537 4.175659 4.952640 
1 1 1   14   13    8 o  148.596   2.7042  165.010   5.9913  154.830   9.6605  171.372   7.6375  143.629   4.5112  151.329   3.3850 -7.700653 5.639945 
1 1 1   14   13    9 o   53.620   5.1463   21.829   4.0637   19.921   6.9244   22.831   5.0190   50.103   9.6190   54.615   6.2777 -4.511742 11.48631 
1 1 1   14   13   10 o  101.487   3.4719   77.143   5.2534   96.373   9.3043   68.143   6.3651  113.029   5.5210   95.235   4.4827 17.79443 7.111708 
1 1 1   14   13   11 o   35.467   7.1931   9.9272   3.6736   13.852   6.9440   8.4020   4.3290   41.236   11.064   32.450   8.7483 8.785370 14.10510 
1 1 1   14   13   12 o   97.510   3.4011   71.361   4.9447   64.012   8.7556   74.803   5.9916   91.340   6.4711   99.698   4.0308 -8.357651 7.623750 
1 1 1   14   13   13 o   98.940   3.5491   73.699   5.2355   64.511   8.7423   78.836   6.5373   91.331   6.4618  102.098   4.2945 -10.76678 7.758692 
1 1 1   14   13   14 o   67.488   4.0847   34.706   4.0908   31.512   7.5923   36.013   4.8559   62.181   8.4045   68.478   4.7862 -6.296185 9.671821 
1 1 1   14   13   15 o   65.348   4.5443   32.988   4.4000   22.929   10.055   35.371   4.8935   48.091   13.481   67.490   4.8964 -19.39879 14.34225 
1 1 1   14   13   16 o   27.371   8.1134   6.5124   3.5477   14.701   6.7150   3.3417   4.1785   39.010   11.045   22.232   8.6934 16.77751 14.05605 
1 1 1   14   14    0 o   21.222   13.004   2.9220   7.8876   2.9220   7.8876   2.9220   7.8876   21.222   13.004   21.222   13.004 0.000000 0.000000 
1 1 1   14   14    1 o   68.474   5.7665   35.494   5.8324   40.826   8.0238   29.521   8.4925   73.120   7.4647   61.536   9.5671 11.58361 12.13467 
1 1 1   14   14    2 f   36.373   9.5479   10.463   5.2436   10.972   6.6527   9.6285   8.5203   37.450   11.113   36.738   12.740 0.7115593 16.90565 
1 1 1   14   14    3 f   86.890   2.6998   56.394   3.4976   56.826   7.7092   56.283   3.9248   86.683   6.0019   86.781   3.0333 -0.9818268E-01 6.724875 
1 1 1   14   14    4 o   74.890   3.3054   41.942   3.6908   40.282   7.0553   42.567   4.3306   72.774   6.5734   75.305   3.8701 -2.531059 7.628026 
1 1 1   14   14    5 o  188.011   2.0959  263.869   5.8752  280.746   11.593  258.036   6.8152  193.585   4.0165  185.874   2.4592 7.710205 4.709566 
1 1 1   14   14    6 o  140.564   2.1986  147.527   4.6079  140.198   9.0100  150.122   5.3621  136.701   4.4206  141.758   2.5370 -5.056412 5.096886 
1 1 1   14   14    7 o   68.611   4.1798   35.436   4.2555   37.768   7.2200   34.194   5.2677   70.254   6.9854   67.195   5.3010 3.059464 8.769045 
1 1 1   14   14    8 o   87.012   3.0334   56.634   3.9353   52.060   7.5330   58.350   4.6151   82.772   6.1479   88.271   3.5067 -5.498772 7.077721 
1 1 1   14   14    9 o   45.292   5.6678   15.720   3.7436   18.585   10.644   15.316   3.9991   47.525   14.045   44.582   6.1827 2.943073 15.34556 
1 1 1   14   14   10 o   24.466   8.1293   4.3954   3.4647   0.7479   6.8714   5.6390   4.0121   24.982   10.604   27.253   8.7275 -2.270695 13.73373 
1 1 1   14   14   11 o   51.620   5.0454   20.332   3.8335   13.394   7.6750   22.639   4.4250   40.322   11.929   54.373   5.5355 -14.05127 13.15101 
1 1 1   14   14   12 o   82.225   3.8295   50.943   4.6948   48.962   8.3652   51.854   5.6724   79.284   7.1536   82.633   4.6226 -3.349709 8.517193 
1 1 1   14   14   13 o   44.237   6.6247   15.520   4.2349   20.547   7.3639   13.036   5.1766   49.170   10.371   39.549   8.9835 9.620876 13.72088 
1 1 1   14   14   14 o   57.895   4.8287   25.964   4.1301   30.413   10.409   25.132   4.4994   57.161   12.557   56.696   5.3874 0.4650955 13.66360 
1 1 1   14   14   15 o   21.708   8.0371   3.4392   3.4514  -1.0697   6.1681   5.4944   4.1643   20.744   9.3689   25.721   8.9075 -4.976919 12.92745 
1 1 1   14   14   16 o   19.592   8.1918   1.7528   4.0035  -1.7880   6.3523   4.0861   5.1566   19.971   9.2039   23.780   9.5412 -3.809355 13.25692 
1 1 1   14   15    0 o   66.593   9.0435   35.137   8.5118   35.137   8.5118   35.137   8.5118   66.593   9.0435   66.593   9.0435 0.000000 0.000000 
1 1 1   14   15    1 o  109.900   4.2726   90.538   7.0009   93.960   9.6452   86.727   10.178  111.549   5.8195  107.011   6.4086 4.538330 8.656590 
1 1 1   14   15    2 o   79.891   5.2339   48.185   6.1999   46.923   8.3454   49.739   9.2621   78.390   7.2214   80.571   7.8082 -2.180054 10.63562 
1 1 1   14   15    3 o   71.423   3.0411   38.142   3.2385   26.853   7.5261   40.707   3.5876   58.673   8.8810   73.770   3.2618 -15.09678 9.461069 
1 1 1   14   15    4 o  117.855   2.7731  103.814   4.8728  109.065   8.7809  101.477   5.8574  120.474   4.8885  116.449   3.3737 4.024345 5.939641 
1 1 1   14   15    5 o  187.977   2.0292  263.801   5.6871  255.340   11.601  266.477   6.5250  184.496   4.2172  188.887   2.3169 -4.390289 4.811773 
1 1 1   14   15    6 o   70.705   2.9804   37.391   3.1420   31.073   7.5038   38.734   3.4599   63.310   8.1379   71.944   3.2255 -8.634033 8.753821 
1 1 1   14   15    7 o   71.188   4.1025   38.151   4.3359   34.266   7.2195   40.343   5.4229   66.713   7.3818   73.041   5.0099 -6.328102 8.921367 
1 1 1   14   15    8 o  193.977   2.4445  281.202   7.0698  275.880   17.509  282.239   7.7278  190.871   6.1525  194.288   2.6677 -3.416672 6.705999 
1 1 1   14   15    9 o   37.110   7.1783   10.849   3.8281   14.527   10.290   10.258   4.1242   42.557   14.003   35.906   7.9167 6.650814 16.08621 
1 1 1   14   15   10 f   89.954   3.1752   60.665   4.2586   59.722   8.3879   60.992   4.9430   88.272   6.4171   90.109   3.6792 -1.837387 7.397027 
1 1 1   14   15   11 o   65.294   4.8542   32.483   4.6918   25.843   8.1736   35.746   5.7298   56.174   10.132   68.247   5.6827 -12.07270 11.61656 
1 1 1   14   15   12 o   75.511   3.6895   43.055   4.1538   37.060   8.0186   45.253   4.8561   68.061   8.0584   77.148   4.2380 -9.086533 9.104836 
1 1 1   14   15   13 o   24.716   8.7225   4.6501   4.0038   1.9893   6.6557   6.1589   5.0120   24.616   10.442   27.830   9.7645 -3.213573 14.29609 
1 1 1   14   15   14 o   76.997   3.6723   45.230   4.2158   33.896   7.4500   50.569   5.1133   63.633   8.0313   81.002   4.2487 -17.36874 9.085884 
1 1 1   14   15   15 o   45.600   5.7171   16.833   3.8016   11.959   6.9185   18.941   4.5500   34.504   11.489   47.843   6.5505 -13.33953 13.22489 
1 1 1   14   16    0 o  121.104   6.1709  110.760   11.076  110.760   11.076  110.760   11.076  121.104   6.1709  121.104   6.1709 0.000000 0.000000 
1 1 1   14   16    1 o   85.538   5.4087   55.325   6.8625   61.049   9.1130   47.828   10.430   89.493   6.8825   78.481   9.0811 11.01270 11.39451 
1 1 1   14   16    2 o  122.382   4.0624  112.319   7.4126  138.277   10.192   83.174   10.800  135.573   5.0424  104.494   6.9720 31.07857 8.604341 
1 1 1   14   16    3 o   13.897   6.2891  -1.5211   2.7955   11.722   7.4024  -3.7240   3.0191   38.496   11.789   12.532   5.9536 25.96436 13.20688 
1 1 1   14   16    4 o   43.699   4.9421   14.547   3.1634   23.167   7.3094   12.560   3.5090   54.135   9.3967   40.345   6.0175 13.79055 11.15831 
1 1 1   14   16    5 o   80.524   2.5323   48.462   3.0403   41.091   7.7494   49.803   3.3053   73.161   7.1974   81.615   2.7163 -8.453926 7.692889 
1 1 1   14   16    6 o   13.753   6.1309  -0.9776   2.5478   5.7990   6.8915  -2.0505   2.7421   30.377   11.335   13.160   6.0584 17.21731 12.85259 
1 1 1   14   16    7 o   43.813   4.8804   14.634   3.1339   29.500   7.3273   11.305   3.4670   61.508   8.1938   38.127   6.3202 23.38056 10.34807 
1 1 1   14   16    8 o   41.309   5.9576   13.195   3.5632   22.475   10.417   11.965   3.7919   51.710   13.402   39.105   6.7474 12.60475 15.00439 
1 1 1   14   16    9 f   76.604   3.5494   44.066   4.0539   35.733   7.9645   46.980   4.7097   67.549   8.0677   78.918   4.0159 -11.36857 9.011949 
1 1 1   14   16   10 o   23.640   8.6747   3.6750   4.0057   0.0000   0.0000   3.6750   4.0057  ?   ?    23.640   8.6747 0.000000 8.674685 
1 1 1   14   16   11 o   27.416   8.7717   5.9677   4.0536   6.1795   7.2448   5.8711   4.8907   30.181   11.541   27.790   9.6515 2.390991 15.04487 
1 1 1   14   16   12 o  102.374   3.0469   79.032   4.6507   64.783   8.6643   84.799   5.5120   90.712   6.4482  105.854   3.4925 -15.14220 7.333239 
1 1 1   14   16   13 o   51.682   6.1373   21.387   4.6367   28.336   9.2658   19.065   5.3555   55.191   11.627   47.797   7.7828 7.394623 13.99149 
1 1 1   14   16   14 o   52.544   5.3370   22.005   4.1231   19.408   10.649   22.463   4.4719   41.175   14.245   52.810   5.7734 -11.63515 15.37075 
1 1 1   14   16   15 o   64.376   4.6718   32.877   4.4536   25.686   7.5011   36.792   5.5347   51.579   10.116   67.285   5.5670 -15.70683 11.54624 
1 1 1   14   17    0 o   38.586   16.339   16.205   9.5165   16.205   9.5165   16.205   9.5165   38.586   16.339   38.586   16.339 0.000000 0.000000 
1 1 1   14   17    1 o  172.165   3.8080  222.273   9.7748  225.567   13.523  218.670   14.145  172.981   5.2434  170.193   5.5743 2.787643 7.652838 
1 1 1   14   17    2 o  178.290   3.5371  238.195   9.4026  242.948   12.976  232.940   13.643  179.657   4.8444  175.787   5.2055 3.869583 7.110938 
1 1 1   14   17    3 o   38.612   5.1734   11.432   2.9034   6.1897   7.6151   12.324   3.1406   31.583   11.890   40.068   5.3942 -8.484602 13.05610 
1 1 1   14   17    4 o   55.746   4.2954   23.486   3.5426   17.571   8.0070   24.926   3.9503   46.344   11.612   57.372   4.6583 -11.02792 12.51135 
1 1 1   14   17    5 o   99.500   2.3064   73.982   3.4216   95.467   12.169   72.137   3.5654  111.591   7.3550   98.239   2.4342 13.35237 7.747336 
1 1 1   14   17    6 o   76.520   2.8844   43.825   3.2908   47.540   7.9255   43.051   3.6173   78.706   6.8213   75.806   3.2005 2.899475 7.534760 
1 1 1   14   17    7 o   85.415   2.9657   54.643   3.7768   45.833   8.2225   56.999   4.2519   77.030   7.2444   87.193   3.2707 -10.16290 7.948517 
1 1 1   14   17    8 o   77.481   3.5090   45.093   4.0537   37.445   11.134   46.262   4.3524   67.468   11.480   78.442   3.7215 -10.97348 12.06771 
1 1 1   14   17    9 o   47.940   6.1069   17.863   4.2660   0.0000   0.0000   17.863   4.2660  ?   ?    47.940   6.1069 0.000000 6.106911 
1 1 1   14   17   10 o   44.571   5.4477   15.424   3.5449   16.894   7.1759   14.949   4.0771   44.402   10.916   43.519   6.4812 0.8828049 12.69516 
1 1 1   14   17   11 o   80.481   4.3692   49.552   5.2232   36.573   8.1029   58.779   6.8320   66.892   8.3030   87.173   5.2814 -20.28067 9.840428 
1 1 1   14   17   12 o   26.394   8.3030   5.8377   3.6442   6.4347   8.9602   5.7194   3.9890   30.233   12.411   26.267   8.7225 3.965958 15.16949 
1 1 1   14   17   13 o   33.750   8.1410   9.9672   4.0492   11.434   6.4729   9.0238   5.1902   34.387   11.093   31.295   9.9164 3.091387 14.87930 
1 1 1   14   17   14 o   68.256   4.0271   36.311   4.0801   26.370   7.3429   40.751   4.9075   53.062   9.6362   71.848   4.6054 -18.78527 10.68022 
1 1 1   14   18    0 f   23.063   14.226   3.4507   9.5794   3.4507   9.5794   3.4507   9.5794   23.063   14.226   23.063   14.226 0.000000 0.000000 
1 1 1   14   18    1 o   39.977   11.128   12.986   6.8770   15.965   9.5179   9.7321   9.9474   44.095   13.339   37.283   13.672 6.812340 19.10100 
1 1 1   14   18    2 o   93.024   5.3065   65.563   7.3294   66.582   9.6411   64.168   11.282   93.203   6.9887   90.934   8.4168 2.269455 10.94002 
1 1 1   14   18    3 o   34.759   12.699   8.3900   8.5702   18.121   10.807  -8.1025   14.069   46.646   14.237   29.701   13.692 16.94487 19.75208 
1 1 1   14   18    4 o  148.946   5.2402  167.665   11.637  167.665   11.637   0.0000   0.0000  148.946   5.2402  ?   ?  0.000000 5.240178 
1 1 1   14   18    5 o   28.250   5.1706   6.2165   2.0976  -0.6073   7.6240   6.7753   2.1818   24.943   10.881   29.528   5.1425 -4.585733 12.03469 
1 1 1   14   18    6 o   59.182   3.4569   26.383   3.0371   16.036   7.9756   28.137   3.2845   43.813   11.901   61.095   3.6219 -17.28134 12.43980 
1 1 1   14   18    7 o   21.896   7.7206   3.3274   3.1362  -2.2233   11.330   3.7880   3.2637   28.781   12.872   22.932   7.8889 5.848112 15.09715 
1 1 1   14   18    8 o   91.030   3.2703   62.301   4.4386   55.741   8.5883   64.692   5.1846   84.647   6.8641   92.636   3.7538 -7.988960 7.823521 
1 1 1   14   18    9 o   97.696   2.9963   71.779   4.3645   55.073   8.3176   78.127   5.1270   83.890   6.7059  101.804   3.3778 -17.91396 7.508578 
1 1 1   14   18   10 o   35.019   6.9556   9.9840   3.5037   4.7805   7.2892   11.547   3.9955   28.103   11.320   37.539   7.4018 -9.435349 13.52500 
1 1 1   14   18   11 o   58.441   4.9244   26.627   4.2509   37.862   7.7696   21.827   5.0783   67.645   7.8495   51.906   6.7196 15.73884 10.33284 
1 1 1   14   18   12 o   15.249   6.7990  -0.6417   3.1346  -0.1577   5.6965  -0.8519   3.7540   20.560   9.1662   16.443   7.3779 4.116510 11.76662 
1 1 1   14   18   13 o   32.951   8.1016   9.7599   3.9524   8.4765   6.3093   10.589   5.0705   29.505   10.878   33.222   9.6587 -3.716616 14.54708 
1 1 1   14   18   14 o   32.663   7.8696   9.8327   3.7871   14.130   7.1109   8.1311   4.4745   35.042   11.646   28.682   9.2201 6.360062 14.85411 
1 1 1   14   19    0 o  123.143   7.0470  115.286   12.841  115.286   12.841  115.286   12.841  123.143   7.0470  123.143   7.0470 0.000000 0.000000 
1 1 1   14   19    1 o   79.634   6.3692   48.610   7.4989   39.750   9.7999   61.128   11.648   70.746   9.5334   88.233   8.9796 -17.48666 13.09653 
1 1 1   14   19    2 o   37.312   10.567   11.349   6.1451   3.8929   7.7280   24.170   10.134   29.012   11.666   53.550   12.855 -24.53765 17.35979 
1 1 1   14   19    3 o   40.956   10.496   13.793   6.4387   15.528   7.9767   10.548   10.908   43.149   11.976   38.300   14.267 4.849152 18.62674 
1 1 1   14   19    4 o   58.142   4.5423   25.673   3.9064   25.553   8.2155   25.708   4.4405   56.041   10.209   58.022   5.1877 -1.981285 11.45110 
1 1 1   14   19    5 o   70.107   4.0857   37.178   4.2521   36.245   8.4909   37.490   4.9125   67.580   8.6234   70.234   4.7187 -2.653313 9.829985 
1 1 1   14   19    6 o   72.405   3.0552   39.362   3.2982   42.705   10.803   39.018   3.4635   72.250   10.322   72.059   3.2237 0.1909180 10.81349 
1 1 1   14   19    7 o   67.785   3.3552   34.597   3.3909   33.440   7.6975   34.876   3.7772   64.665   8.1658   67.875   3.7469 -3.210464 8.984441 
1 1 1   14   19    8 o   14.979   6.7396  -1.2684   3.1569  -5.9272   7.1123  -0.1253   3.5230   19.923   9.3654   17.181   7.4461 2.742247 11.96474 
1 1 1   14   19    9 o   47.543   5.1399   17.625   3.5855   15.913   7.2586   18.177   4.1237   41.944   11.337   47.972   5.8890 -6.028416 12.77504 
1 1 1   14   19   10 o   64.658   4.1306   32.182   3.9613   34.794   7.6209   31.215   4.6369   64.501   8.1033   63.239   4.9575 1.261387 9.499462 
1 1 1   14   19   11 o   49.447   5.4524   19.550   3.9529   26.314   6.7054   15.947   4.8936   55.087   8.4323   43.057   7.9145 12.02992 11.56471 
1 1 1   14   19   12 o   15.369   6.8882  -0.6267   3.2624 -10.8743   6.2415   3.2255   3.8268   15.197   7.5118   21.258   8.3176 -6.060723 11.20757 
1 1 1   14   19   13 o   41.816   8.3445   16.211   5.0202   5.2256   8.9819   21.201   6.0542   26.032   11.564   47.344   8.9035 -21.31228 14.59420 
1 1 1   14   20    0 o   25.063   15.013   5.6035   10.022   5.6035   10.022   5.6035   10.022   25.063   15.013   25.063   15.013 0.000000 0.000000 
1 1 1   14   20    1 o   18.788   8.9050  -7.1681   6.6774  -1.8562   8.5380 -15.5343   10.715   25.197   11.229   21.860   10.597 3.336853 15.43915 
1 1 1   14   20    2 o   39.602   11.062   13.120   6.7830   9.5167   8.7929   18.416   10.659   35.505   12.879   45.961   14.159 -10.45647 19.13980 
1 1 1   14   20    3 o   70.560   6.7551   38.702   7.0197   44.372   8.6742   27.941   11.950   75.068   7.8669   56.060   14.262 19.00809 16.28821 
1 1 1   14   20    4 o   21.658   8.0860   2.9430   3.5079   1.3000   7.5318   3.3981   3.9641   25.924   11.055   23.060   8.5984 2.864565 14.00556 
1 1 1   14   20    5 o   33.009   8.9429   9.0042   4.5106   8.3871   11.360   9.1198   4.9146   35.511   14.192   33.164   9.4699 2.346905 17.06145 
1 1 1   14   20    6 o   85.367   2.6172   54.710   3.3311   57.911   8.5679   54.140   3.6156   85.925   6.7420   84.864   2.8575 1.060570 7.322520 
1 1 1   14   20    7 o   96.320   2.7023   69.777   3.8808   59.092   8.4430   72.639   4.3697   86.563   6.5913   98.181   2.9851 -11.61756 7.235759 
1 1 1   14   20    8 o   41.376   5.2795   13.473   3.1827   23.701   7.0093   10.816   3.5722   52.629   9.2713   36.365   6.8395 16.26427 11.52116 
1 1 1   14   20    9 o   17.493   7.2085   1.1944   3.0371   1.3742   6.5898   1.1459   3.4223   23.326   10.147   18.187   7.5864 5.139254 12.66911 
1 1 1   14   20   10 o   28.811   7.2801   7.1538   3.1285   0.5355   6.2308   9.3847   3.6175   21.725   9.6419   32.943   7.5295 -11.21754 12.23352 
1 1 1   14   20   11 f   50.523   4.7508   20.315   3.5366   19.290   6.9261   20.676   4.1133   43.987   10.670   50.395   5.5673 -6.407993 12.03503 
1 1 1   14   20   12 o   12.478   6.0250  -4.1752   3.3797 -14.9337   6.3371   0.1012   3.9954   13.778   6.9250   17.254   7.6857 -3.475850 10.34529 
1 1 1   14   21    0 o   57.583   12.715   29.058   9.5482   29.058   9.5482   29.058   9.5482   57.583   12.715   57.583   12.715 0.000000 0.000000 
1 1 1   14   21    1 f   41.747   10.646   14.861   6.6470   12.196   8.9668   18.112   9.9033   37.967   13.075   44.884   13.613 -6.917179 18.87526 
1 1 1   14   21    2 o   59.438   7.9233   28.308   6.8467   25.879   8.9761   31.686   10.588   54.889   11.343   60.300   12.195 -5.411110 16.65528 
1 1 1   14   21    3 o   30.397   11.131   6.9555   6.5899   11.549   7.6162  -6.7257   13.144   36.681   12.046   27.793   12.956 8.887844 17.69104 
1 1 1   14   21    4 o   21.476   8.1299   2.8966   3.5724   1.4769   11.695   3.0427   3.7517   30.237   13.325   21.970   8.3280 8.266705 15.71307 
1 1 1   14   21    5 f   15.500   7.0427  -1.6936   3.5488   8.0931   7.0828  -4.9742   4.1007   31.661   11.547   14.301   6.8342 17.36073 13.41833 
1 1 1   14   21    6 o   88.241   2.5262   58.577   3.3235   40.777   8.2742   62.002   3.6292   70.458   8.0192   90.731   2.6828 -20.27313 8.456089 
1 1 1   14   21    7 o   58.527   3.6626   26.210   3.1799   27.987   7.3435   25.800   3.5278   57.141   8.9101   57.871   4.1154 -0.7299805 9.814648 
1 1 1   14   21    8 o   21.082   7.5530   3.3980   3.0129   3.5336   9.3191   3.3822   3.1839   27.359   11.980   21.224   7.7420 6.135824 14.26356 
1 1 1   14   21    9 o   26.245   7.6276   6.0311   3.1627   10.694   6.7333   4.7112   3.5825   32.606   11.325   23.648   8.2577 8.957438 14.01557 
1 1 1   14   21   10 o   17.925   7.4071   1.5949   3.2187   1.7289   6.4062   1.5496   3.7227   22.226   9.8245   18.668   7.8579 3.557285 12.58043 
1 1 1   14   21   11 o   33.329   7.6127   10.173   3.7000   15.832   6.8387   7.8306   4.3995   37.438   11.303   28.046   9.1529 9.391678 14.54407 
1 1 1   14   22    0 o   22.074   14.873  -3.3966   14.099  -3.3966   14.099  -3.3966   14.099   22.074   14.873   22.074   14.873 0.000000 0.000000 
1 1 1   14   22    1 o   46.983   13.126   20.835   9.5500   13.757   13.745   27.440   13.278   39.215   15.631   51.614   15.786 -12.39873 22.21565 
1 1 1   14   22    2 o   56.430   12.523   29.395   10.261   36.327   13.721   20.599   15.456   60.025   15.289   44.219   16.869 15.80585 22.76698 
1 1 1   14   22    3 o   55.912   9.1592   26.508   7.3709   33.491   11.835   22.083   9.4209   58.791   13.748   48.112   12.878 10.67957 18.83746 
1 1 1   14   22    4 o   39.449   10.053   13.889   5.9299   12.142   7.8137   16.262   9.1061   36.049   12.210   40.676   13.161 -4.627045 17.95248 
1 1 1   14   22    5 o   53.743   4.8465   22.575   3.8416   22.578   7.9009   22.574   4.3963   49.391   11.010   53.330   5.6133 -3.938492 12.35835 
1 1 1   14   22    6 o   20.271   5.6533   3.3606   1.7731   19.972   6.8287   2.1597   1.8361   46.638   10.112   17.045   5.9140 29.59268 11.71425 
1 1 1   14   22    7 o   34.120   5.6529   9.5050   2.7751   1.5159   8.3390   10.500   2.9428   24.643   11.031   35.875   5.6919 -11.23146 12.41283 
1 1 1   14   22    8 o   47.260   5.8022   18.325   4.0025   12.288   6.6851   21.698   4.9972   34.250   11.288   50.666   6.7855 -16.41572 13.17038 
1 1 1   14   22    9 o   26.070   7.6867   6.1906   3.1914  -0.8168   6.7128   8.2370   3.6276   20.467   9.4427   29.866   7.9901 -9.399439 12.36953 
1 1 1   14   22   10 o   30.252   7.7286   8.5757   3.4987   4.5814   6.8527   9.9840   4.0690   23.936   10.379   32.107   8.4024 -8.171436 13.35408 
1 1 1   14   23    0 o   13.339   9.4988 -10.4328   8.2648 -10.4328   8.2648 -10.4328   8.2648   13.339   9.4988   13.339   9.4988 0.000000 0.000000 
1 1 1   14   23    1 o   19.386   8.8611  -1.9628   5.7244   0.1050   7.9712  -4.1648   8.2258   24.007   10.763   21.754   10.177 2.253292 14.81218 
1 1 1   14   23    2 o   44.349   9.0426   17.333   5.7766   13.619   7.9366   21.518   8.4237   36.962   12.305   46.842   12.006 -9.879898 17.19158 
1 1 1   14   23    3 o   23.035   9.7111   2.5011   5.7002   7.1061   7.8980  -2.5054   8.2351   29.370   11.800   22.442   10.391 6.928297 15.72251 
1 1 1   14   23    4 o   33.282   10.337   10.556   5.6687   5.6997   7.6387   16.509   8.4573   27.575   11.404   39.428   12.676 -11.85307 17.05090 
1 1 1   14   23    5 o   14.804   6.7372  -1.2379   3.2637  -3.1752   8.6663  -0.9177   3.5231   22.083   10.367   15.717   7.0912 6.366239 12.56038 
1 1 1   14   23    6 o   45.368   2.8318   15.731   1.9059   12.124   7.0823   16.013   1.9789   33.663   11.619   45.739   2.9170 -12.07658 11.97930 
1 1 1   14   23    7 o   15.880   6.5837   1.0897   2.5550  -4.6293   6.5834   2.1039   2.7723   18.168   8.6761   17.933   7.0603 0.2350616 11.18583 
1 1 1   14   23    8 o   18.791   8.0027   1.7009   3.9368   4.4711   6.6139   0.1810   4.8992   23.969   10.294   18.604   8.3810 5.364529 13.27455 
1 1 1   14   23    9 o   14.926   6.7244  -0.3385   3.1546   6.2387   6.4584  -2.3994   3.6152   24.822   10.394   14.042   6.6242 10.78029 12.32515 
1 1 1   14   24    0 o   57.354   13.908   31.531   10.307   31.531   10.307   31.531   10.307   57.354   13.908   57.354   13.908 0.000000 0.000000 
1 1 1   14   24    1 o   27.038   11.276   5.8751   7.5578   0.1733   10.128   13.040   11.353   24.942   11.539   33.523   13.887 -8.581001 18.05535 
1 1 1   14   24    2 o   58.835   9.6371   32.377   8.1610   43.401   11.582   21.505   11.501   63.919   12.601   40.389   14.717 23.52952 19.37479 
1 1 1   14   24    3 f   26.398   11.028   5.7270   7.2480   3.3133   10.012   8.3850   10.506   26.178   11.869   29.552   12.833 -3.374790 17.48071 
1 1 1   14   24    4 o   22.508   9.4433   3.3020   5.3481   5.9403   7.3987   0.4151   7.7395   26.357   11.085   22.453   10.278 3.904484 15.11664 
1 1 1   14   24    5 o   58.972   4.0321   27.380   3.5240   26.660   7.1393   27.612   4.0520   52.508   9.4676   58.699   4.6684 -6.191193 10.55599 
1 1 1   14   24    6 o   32.353   9.9460   11.060   5.2631   6.0008   6.6921   19.265   8.5216   25.292   10.584   38.761   12.743 -13.46873 16.56530 
1 1 1   14   24    7 o   37.086   5.4044   11.584   2.9005   8.0540   10.358   11.884   3.0213   26.654   12.080   37.430   5.5848 -10.77603 13.30846 
1 1 1   14   24    8 o   25.906   7.3526   6.4597   2.9720   0.1585   6.5024   8.1236   3.3414   19.560   9.1162   28.878   7.6416 -9.318775 11.89533 
1 1 1   14   25    0 o   22.570   14.460   4.9810   10.981   4.9810   10.981   4.9810   10.981   22.570   14.460   22.570   14.460 0.000000 0.000000 
1 1 1   14   25    1 o   31.184   11.289   11.183   6.7511   15.108   8.4314   4.1682   11.270   34.309   12.586   25.917   12.053 8.392532 17.42641 
1 1 1   14   25    2 o   18.919   8.8243  -1.5087   6.1109   10.428   7.4343 -26.3757   10.730   29.736   11.605   16.547   8.3966 13.18953 14.32372 
1 1 1   14   25    3 o   18.885   8.7942  -1.2104   6.0306  -1.2426   7.2085  -1.1354   11.008   20.167   9.4636   23.104   11.083 -2.937473 14.57362 
1 1 1   14   25    4 o   24.764   10.169   6.1359   6.0180   4.7721   7.2279   9.2178   10.865   23.883   10.501   27.413   12.403 -3.530228 16.25145 
1 1 1   14   25    5 o   30.542   13.517   16.740   12.162   0.0000   0.0000   16.740   12.162  ?   ?    30.542   13.517 0.000000 13.51687 
1 1 1   14   25    6 o   18.598   8.6537  -0.1403   5.8206  -1.5857   6.7929   3.8530   11.290   18.716   8.9029   23.568   11.284 -4.851812 14.37310 
1 1 1   14   26    0 o   24.534   13.579   8.7680   7.2763   8.7680   7.2763   8.7680   7.2763   24.534   13.579   24.534   13.579 0.000000 0.000000 
1 1 1   14   26    1 o   27.252   9.9459   8.6728   5.2556   19.679   7.5778  -1.5284   7.2953   38.384   11.957   19.276   9.1851 19.10810 15.07732 
1 1 1   14   26    2 o   33.732   9.9123   13.055   5.3150   18.803   7.2908   6.5353   7.7647   37.615   11.730   24.230   10.758 13.38454 15.91619 
1 1 1   14   26    3 o   17.757   8.1923   0.0783   5.0522   1.2851   7.0491  -1.1964   7.2447   20.289   9.4681   19.110   9.1191 1.179308 13.14544 
1 1 1   14   26    4 o   14.383   7.0522  -5.7392   5.1460  -5.7192   7.0442  -5.7621   7.5358   16.755   8.2223   17.224   8.4632 -0.4697857 11.79966 
1 1 1   15    1    0 o   16.004   9.5426   2.0137   4.0113   2.0137   4.0113   2.0137   4.0113   16.004   9.5426   16.004   9.5426 0.000000 0.000000 
1 1 1   15    1    1 o  191.987   2.1566  274.816   6.1731  278.053   7.6521  268.785   10.446  193.107   2.6577  189.843   3.6906 3.263702 4.547946 
1 1 1   15    1    2 o  127.524   2.2098  121.252   4.2015  128.162   5.4877  111.463   6.5313  131.102   2.8075  122.253   3.5832 8.848633 4.552046 
1 1 1   15    1    3 o   68.520   3.1269   35.012   3.1945   38.673   4.2959   30.483   4.7779   71.893   4.0239   63.716   5.0714 8.176853 6.473842 
1 1 1   15    1    4 o  196.297   2.7469  287.335   8.0396  287.335   8.0396   0.0000   0.0000  196.297   2.7469  ?   ?  0.000000 2.746938 
1 1 1   15    1    5 o  201.657   1.9851  303.207   5.9686  298.590   8.3484  308.034   8.5365  200.100   2.7983  203.239   2.8171 -3.139267 3.970671 
1 1 1   15    1    6 o  231.311   2.0127  398.951   6.9415  411.940   9.9290  386.533   9.7083  235.022   2.8335  227.658   2.8602 7.364029 4.026075 
1 1 1   15    1    7 o  300.979   2.5635  675.608   11.504  652.962   22.322  683.797   13.424  295.714   5.0629  302.776   2.9736 -7.062683 5.871531 
1 1 1   15    1    8 o  194.528   2.2851  282.221   6.6276  285.214   8.5781  277.788   10.439  195.529   2.9425  192.931   3.6291 2.597839 4.672116 
1 1 1   15    1    9 o  143.579   2.2448  153.764   4.8055  145.671   6.8268  161.711   6.7656  139.708   3.2774  147.208   3.0825 -7.500488 4.499230 
1 1 1   15    1   10 f  245.509   2.1107  449.607   7.7262  457.181   11.323  443.009   10.569  247.487   3.0687  243.636   2.9094 3.850677 4.228679 
1 1 1   15    1   11 o  171.696   2.0643  219.917   5.2844  223.042   8.3479  217.827   6.8263  172.826   3.2397  170.839   2.6800 1.987137 4.204466 
1 1 1   15    1   12 o   99.877   2.6200   74.464   3.9015   76.497   6.1952   73.127   5.0227  101.135   4.1085   98.932   3.4051 2.202988 5.336119 
1 1 1   15    1   13 o  231.270   2.0237  399.101   6.9781  412.631   11.848  391.915   8.6344  234.962   3.3822  229.119   2.5276 5.843140 4.222264 
1 1 1   15    1   14 o  152.173   2.2643  172.857   5.1375  187.376   8.7102  165.112   6.3620  158.263   3.6913  148.665   2.8702 9.597336 4.675857 
1 1 1   15    1   15 o  170.663   2.4364  217.514   6.1996  202.523   9.2711  229.639   8.3379  164.473   3.7806  175.245   3.1911 -10.77179 4.947381 
1 1 1   15    1   16 o   74.441   3.6249   41.527   4.0233   45.534   6.8215   39.389   4.9821   77.390   5.9576   72.233   4.6508 5.157440 7.557961 
1 1 1   15    1   17 o   57.020   5.1778   24.811   4.3539   19.210   7.8694   27.281   5.2267   48.164   11.175   59.598   5.9621 -11.43326 12.66556 
1 1 1   15    1   18 o   68.914   3.7179   35.952   3.8060   30.827   6.3442   38.834   4.7572   62.623   6.9099   71.385   4.4925 -8.762203 8.241910 
1 1 1   15    1   19 o   54.012   4.3808   22.432   3.4975   20.790   5.8634   23.338   4.3576   50.206   8.1092   54.669   5.4173 -4.462914 9.752290 
1 1 1   15    1   20 o   31.545   7.1114   8.3772   3.2648   8.5151   5.2134   8.2882   4.1876   30.781   9.9583   30.706   8.7323 0.7478714E-01 13.24462 
1 1 1   15    2    0 o  164.937   2.8752  203.014   7.0658  203.014   7.0658  203.014   7.0658  164.937   2.8752  164.937   2.8752 0.000000 0.000000 
1 1 1   15    2    1 o  224.684   1.9783  376.397   6.6274  369.662   8.8904  384.820   9.9427  222.653   2.6781  227.166   2.9356 -4.513397 3.973605 
1 1 1   15    2    2 o  321.822   2.0802  772.213   9.9814  793.108   14.255  752.113   13.981  326.122   2.9316  317.581   2.9527 8.541016 4.160825 
1 1 1   15    2    3 o   64.245   3.3522   30.866   3.1998   34.492   4.2517   26.129   4.8594   67.867   4.2227   58.903   5.6006 8.963589 7.014106 
1 1 1   15    2    4 f   77.049   2.8664   44.271   3.2928   44.604   4.5346   43.900   4.7893   77.225   3.9516   76.595   4.2099 0.6297073 5.773916 
1 1 1   15    2    5 o  198.973   2.2093  295.210   6.5542  312.345   10.606  284.622   8.3366  204.631   3.4761  195.357   2.8621 9.274048 4.502823 
1 1 1   15    2    6 o   43.848   4.6324   14.511   2.9827   20.023   4.3783   9.7381   4.0743   51.449   5.8094   35.384   7.9202 16.06487 9.822408 
1 1 1   15    2    7 o  163.656   2.5164  199.759   6.1401  198.187   12.042  200.312   7.1377  162.903   4.9580  163.870   2.9214 -0.9665527 5.754703 
1 1 1   15    2    8 o  111.961   2.4506   93.500   4.0908   97.187   5.8725   90.025   5.7017  114.116   3.4515  109.829   3.4819 4.286087 4.902701 
1 1 1   15    2    9 f   15.547   6.5219   0.2511   2.5503   0.1060   3.9570   0.3542   3.3355   18.995   8.0541   17.801   7.4625 1.194641 10.97982 
1 1 1   15    2   10 o   61.475   3.9009   28.348   3.5570   43.572   6.4573   21.717   4.2618   76.057   5.7366   53.591   5.4077 22.46566 7.883608 
1 1 1   15    2   11 o   95.531   2.6021   68.114   3.7063   70.389   5.8020   66.546   4.8174   97.035   4.0103   94.385   3.4232 2.650223 5.272656 
1 1 1   15    2   12 o  218.384   2.2463  355.901   7.3141  351.230   10.462  360.368   10.229  216.825   3.2362  219.644   3.1236 -2.818527 4.497772 
1 1 1   15    2   13 o   91.648   2.8863   62.741   3.9439   61.597   6.0054   63.608   5.2298   90.685   4.4416   92.212   3.8039 -1.526573 5.847809 
1 1 1   15    2   14 o   68.374   3.5897   35.068   3.6467   31.329   5.9547   37.311   4.6129   64.186   6.3035   70.425   4.4155 -6.238586 7.696162 
1 1 1   15    2   15 o  106.730   2.8238   85.138   4.4935   80.726   7.2245   87.921   5.7387  103.699   4.6726  108.381   3.5513 -4.681442 5.869007 
1 1 1   15    2   16 o   60.653   4.8130   27.871   4.3168   21.598   6.6075   32.542   5.7018   52.310   8.7832   65.316   5.9193 -13.00617 10.59166 
1 1 1   15    2   17 o   91.265   3.5817   62.615   4.8737   57.717   8.7119   64.846   5.8799   86.441   6.8149   92.718   4.2534 -6.277039 8.033292 
1 1 1   15    2   18 o   63.682   3.8779   30.799   3.6645   34.188   6.4555   29.188   4.4512   65.975   6.6535   61.657   4.8819 4.317974 8.252421 
1 1 1   15    2   19 o   27.750   7.6602   6.4259   3.2733   2.6629   5.1530   8.9715   4.2382   23.152   9.4472   32.422   8.6191 -9.270601 12.78822 
1 1 1   15    3    0 o   65.926   5.1638   33.008   5.0041   33.008   5.0041   33.008   5.0041   65.926   5.1638   65.926   5.1638 0.000000 0.000000 
1 1 1   15    3    1 o  513.750   2.9318  1968.28   22.457  1967.09   28.474  1970.24   36.528  513.544   3.7188  513.867   4.7677 -0.3229980 6.046477 
1 1 1   15    3    2 o  510.538   2.6214  1943.63   19.954  1926.28   27.791  1962.09   28.667  508.188   3.6679  512.884   3.7488 -4.696106 5.244690 
1 1 1   15    3    3 o  144.586   2.1042  155.875   4.5361  153.430   6.0830  158.938   6.8081  143.437   2.8444  145.983   3.1279 -2.546356 4.227806 
1 1 1   15    3    4 o  285.910   2.2326  609.542   9.5172  605.645   14.868  612.248   12.388  284.946   3.4996  286.521   2.8998 -1.575226 4.544888 
1 1 1   15    3    5 o  320.446   2.1221  765.701   10.139  735.710   13.801  800.871   14.945  314.070   2.9472  327.678   3.0590 -13.60718 4.247740 
1 1 1   15    3    6 o   60.232   3.5125   27.160   3.1407   24.884   4.4823   29.354   4.4019   57.479   5.2896   62.522   4.7578 -5.042690 7.114540 
1 1 1   15    3    7 o  177.890   2.2793  236.013   6.0454  237.942   7.8594  233.218   9.4605  178.589   2.9516  176.776   3.5894 1.813019 4.647115 
1 1 1   15    3    8 o  210.483   1.9037  330.402   5.9744  339.069   9.3486  324.418   7.7676  213.169   2.9414  208.540   2.4982 4.629684 3.859110 
1 1 1   15    3    9 o  211.816   1.9400  334.636   6.1266  351.154   9.6627  323.530   7.9228  216.907   2.9878  208.234   2.5519 8.673096 3.929260 
1 1 1   15    3   10 o  144.599   2.1083  155.983   4.5454  159.996   7.1154  153.217   5.9080  146.376   3.2603  143.275   2.7657 3.100922 4.275328 
1 1 1   15    3   11 o   51.916   4.0416   20.275   3.1038   17.471   4.8774   22.184   4.0236   47.685   7.0748   54.192   5.0374 -6.507175 8.684977 
1 1 1   15    3   12 o  123.035   2.5605  113.012   4.6971  111.709   6.8488  114.170   6.4540  122.221   3.7584  123.585   3.5026 -1.364243 5.137477 
1 1 1   15    3   13 o   88.435   3.1619   58.450   4.1691   55.651   6.0083   61.049   5.7898   86.033   4.7018   90.282   4.3012 -4.249283 6.372354 
1 1 1   15    3   14 o  135.493   2.7420  137.150   5.5392  140.643   9.6794  135.449   6.7546  136.918   4.7415  134.577   3.3664 2.340668 5.815003 
1 1 1   15    3   15 o  176.450   2.2547  232.518   5.9317  250.219   10.113  223.234   7.3239  182.766   3.7112  172.801   2.8427 9.965073 4.674767 
1 1 1   15    3   16 o  166.978   2.5250  208.499   6.2863  214.459   9.7742  204.295   8.2094  168.992   3.8792  165.096   3.3351 3.896408 5.115775 
1 1 1   15    3   17 o   71.866   3.6872   38.988   3.9376   42.163   6.5898   37.225   4.9106   73.993   6.0256   69.934   4.7375 4.059204 7.664968 
1 1 1   15    3   18 o   99.526   3.1108   74.641   4.6161   74.301   9.1002   74.758   5.3563   97.527   6.2918   99.419   3.6135 -1.891701 7.255651 
1 1 1   15    3   19 o   40.680   5.5569   13.130   3.2822   14.561   5.1846   12.172   4.2401   41.231   8.7069   38.128   7.7233 3.102757 11.63872 
1 1 1   15    4    0 o  262.430   3.9817  513.927   15.571  513.927   15.571  513.927   15.571  262.430   3.9817  262.430   3.9817 0.000000 0.000000 
1 1 1   15    4    1 o  232.989   2.8090  404.820   9.7579  413.989   13.569  394.999   14.043  235.577   3.8630  230.101   4.0933 5.475830 5.628367 
1 1 1   15    4    2 o  143.818   3.1658  154.264   6.7883  154.145   9.2913  154.402   9.9419  143.733   4.3356  143.844   4.6356 -0.1109161 6.347158 
1 1 1   15    4    3 o  270.374   2.1952  545.100   8.8495  548.219   13.614  542.818   11.645  271.102   3.3681  269.783   2.8951 1.318665 4.441386 
1 1 1   15    4    4 o  277.638   2.0078  574.776   8.3114  577.921   11.644  571.510   11.867  278.366   2.8056  276.815   2.8753 1.551270 4.017321 
1 1 1   15    4    5 o  295.733   2.3365  652.226   10.303  675.856   13.202  615.420   16.476  301.011   2.9416  287.179   3.8480 13.83194 4.843525 
1 1 1   15    4    6 o   66.333   3.4114   32.920   3.3625   34.397   5.1502   31.822   4.4392   67.661   5.1438   65.118   4.6019 2.543007 6.901929 
1 1 1   15    4    7 o  166.819   1.9250  207.533   4.7880  210.257   7.4015  205.573   6.2787  167.868   2.9572  166.007   2.5367 1.861343 3.896168 
1 1 1   15    4    8 o   76.270   2.7527   43.406   3.1302   43.856   4.8582   43.086   4.0931   76.496   4.2767   75.963   3.6140 0.5327759 5.599182 
1 1 1   15    4    9 o   54.625   3.7561   22.395   3.0405   25.013   4.4607   20.124   4.1554   57.571   5.2546   51.553   5.4907 6.018303 7.599901 
1 1 1   15    4   10 o  121.689   2.2476  110.491   4.0780  111.636   6.4911  109.744   5.2416  122.238   3.5616  121.242   2.8996 0.9956131 4.592666 
1 1 1   15    4   11 o  148.311   2.1740  164.137   4.8073  149.519   7.2134  175.816   6.4480  141.453   3.4203  153.447   2.8184 -11.99416 4.431854 
1 1 1   15    4   12 o  114.904   2.8861   98.622   4.9444  110.373   11.606   96.017   5.4651  120.909   6.4615  113.347   3.2338 7.561600 7.225561 
1 1 1   15    4   13 o   51.226   4.8519   19.859   3.6615   16.865   5.2006   22.802   5.1561   46.594   7.7588   54.633   6.4546 -8.038639 10.09261 
1 1 1   15    4   14 o  111.461   3.3181   92.927   5.5142   94.811   8.8375   91.725   7.0564  112.299   5.2782  110.616   4.2785 1.683052 6.794481 
1 1 1   15    4   15 o  140.233   2.5849  146.983   5.4046  147.041   8.5540  146.945   6.9727  139.986   4.0984  140.094   3.3382 -0.1076508 5.285879 
1 1 1   15    4   16 o   23.262   8.6095   3.3928   3.9598  -4.2072   6.9561   7.0362   4.8163   21.196   9.7177   30.082   9.5548 -8.886349 13.62816 
1 1 1   15    4   17 o   34.278   6.6916   9.3714   3.2972   2.5454   5.0938   14.294   4.3257   23.536   9.4689   42.396   7.0939 -18.86068 11.83141 
1 1 1   15    4   18 o   84.214   3.1229   53.509   3.9211   51.175   6.5224   54.830   4.9069   81.229   5.4165   84.975   3.8729 -3.746010 6.658701 
1 1 1   15    4   19 o   40.969   5.4750   13.348   3.2606   12.974   5.4837   13.553   4.0554   38.099   9.6446   40.548   6.9586 -2.449196 11.89284 
1 1 1   15    5    0 o  353.952   3.7193  934.572   19.623  934.572   19.623  934.572   19.623  353.952   3.7193  353.952   3.7193 0.000000 0.000000 
1 1 1   15    5    1 o  421.780   2.8545  1326.78   17.951  1318.42   25.115  1335.51   25.667  420.362   4.0072  423.072   4.0691 -2.710175 5.710956 
1 1 1   15    5    2 o   69.132   3.3802   35.651   3.4841   37.934   3.8468   25.232   8.2190   71.214   3.6351   57.199   10.002 14.01578 10.64178 
1 1 1   15    5    3 o  277.024   2.0066  572.245   8.2881  565.040   11.391  580.349   12.081  275.244   2.7758  278.941   2.9049 -3.697357 4.017880 
1 1 1   15    5    4 o  147.025   2.1759  161.200   4.7698  173.915   7.0841  150.655   6.4513  152.688   3.1118  142.113   3.0447 10.57478 4.353557 
1 1 1   15    5    5 o  285.933   2.1926  609.729   9.3474  612.899   14.211  607.311   12.409  286.604   3.3257  285.324   2.9170 1.280579 4.423737 
1 1 1   15    5    6 o  138.235   1.9576  142.507   4.0348  146.396   6.1856  139.627   5.3231  140.076   2.9617  136.812   2.6096 3.263992 3.947389 
1 1 1   15    5    7 o  350.326   2.0528  915.369   10.722  934.449   16.748  902.118   13.957  353.838   3.1747  347.720   2.6922 6.118256 4.162502 
1 1 1   15    5    8 o  110.965   2.2539   91.859   3.7289   88.585   5.8064   94.157   4.8646  108.911   3.5757  112.318   2.9049 -3.407074 4.606985 
1 1 1   15    5    9 o  164.927   2.1687  202.936   5.3329  200.683   7.8813  204.838   7.2427  163.932   3.2245  165.645   2.9326 -1.712906 4.358613 
1 1 1   15    5   10 o  197.133   2.2035  289.976   6.4767  291.993   9.1535  287.955   9.1653  197.727   3.1049  196.352   3.1307 1.374939 4.409288 
1 1 1   15    5   11 o  184.843   2.2548  254.999   6.2141  257.069   8.8528  252.989   8.7247  185.485   3.2011  184.010   3.1801 1.474991 4.512248 
1 1 1   15    5   12 o   57.281   4.6986   24.762   3.9775   43.137   9.7841   21.124   4.3535   74.803   8.9505   52.725   5.6247 22.07775 10.57111 
1 1 1   15    5   13 f   69.132   3.8740   35.892   3.9770   41.171   6.0283   31.823   5.2921   73.793   5.5190   64.824   5.5284 8.969673 7.811678 
1 1 1   15    5   14 o   50.661   5.8614   19.601   4.3456   21.218   5.7204   17.396   6.6823   52.348   7.5473   46.723   9.9000 5.625187 12.44878 
1 1 1   15    5   15 o  128.821   2.6896  124.107   5.1658  137.642   8.3840  115.823   6.5587  135.366   4.1540  124.303   3.5389 11.06294 5.457081 
1 1 1   15    5   16 o   49.085   5.5964   18.540   4.0224   26.541   7.5973   15.423   4.7416   57.557   9.1599   44.165   7.4669 13.39229 11.81776 
1 1 1   15    5   17 f   64.217   3.7820   31.271   3.6051   37.043   6.0449   28.085   4.4912   69.098   5.9248   60.450   5.0287 8.648140 7.771137 
1 1 1   15    5   18 o   41.338   5.7483   13.535   3.4470   8.7554   5.0792   17.615   4.6932   31.863   9.7666   46.670   6.9572 -14.80763 11.99119 
1 1 1   15    5   19 o   52.315   4.7010   21.410   3.6277   20.063   5.4230   22.502   4.8804   48.787   7.7116   52.666   6.3427 -3.878761 9.984949 
1 1 1   15    6    0 o  701.438   4.6958  3670.68   49.104  3670.68   49.104  3670.68   49.104  701.438   4.6958  701.438   4.6958 0.000000 0.000000 
1 1 1   15    6    1 o  451.986   2.4390  1523.55   16.436  1525.04   23.091  1522.01   23.402  452.123   3.4254  451.669   3.4750 0.4543457 4.879431 
1 1 1   15    6    2 o  132.869   2.2521  131.656   4.4616  130.119   5.3705  135.078   8.0155  132.081   2.7271  134.536   3.9960 -2.454575 4.837856 
1 1 1   15    6    3 o   58.613   4.2288   25.778   3.6708   23.150   6.7460   26.884   4.3752   54.942   8.5102   59.793   4.9522 -4.850826 9.846248 
1 1 1   15    6    4 o  526.552   2.7093  2068.19   21.270  2098.44   30.336  2038.94   29.830  530.226   3.8373  522.656   3.8280 7.569885 5.420184 
1 1 1   15    6    5 o  194.413   2.0352  281.880   5.8992  276.872   8.9970  285.657   7.8132  192.625   3.1327  195.682   2.6780 -3.057053 4.121296 
1 1 1   15    6    6 o  136.279   1.9539  138.511   3.9700  137.408   6.0570  139.342   5.2566  135.695   2.9938  136.665   2.5798 -0.9698029 3.951958 
1 1 1   15    6    7 o   34.061   5.2150   8.8794   2.5641   9.5188   4.0369   8.4470   3.3198   34.900   7.9373   32.938   6.9770 1.961700 10.56789 
1 1 1   15    6    8 o  141.952   2.4394  150.359   5.1629  152.224   12.983  150.009   5.6269  142.475   6.1118  141.773   2.6620 0.7012634 6.666369 
1 1 1   15    6    9 o  112.773   2.4805   94.915   4.1708   91.657   5.9211   98.124   5.8759  110.752   3.5858  114.604   3.4388 -3.851608 4.968218 
1 1 1   15    6   10 o  115.586   2.5323   99.733   4.3640  103.607   6.2483   96.045   6.0977  117.731   3.5596  113.349   3.6081 4.382065 5.068434 
1 1 1   15    6   11 o   93.188   2.7201   64.856   3.7794   71.137   5.9860   60.693   4.8736   97.482   4.1185   90.084   3.6285 7.397942 5.488910 
1 1 1   15    6   12 o   84.023   3.3089   52.790   4.1452   60.976   7.8999   49.680   4.8694   89.812   5.9329   81.452   4.0096 8.359749 7.160785 
1 1 1   15    6   13 o   14.255   6.7504  -4.4818   3.8205   0.7078   6.2795  -7.5316   4.8139   24.154   10.188   14.868   7.1816 9.285747 12.46498 
1 1 1   15    6   14 o   46.846   6.3913   16.900   4.3476   12.346   5.4898   24.560   7.1200   39.286   9.4809   55.972   8.8241 -16.68603 12.95195 
1 1 1   15    6   15 o  143.232   2.7365  153.520   5.8440  161.467   8.7264  147.057   7.8693  146.581   3.9929  139.948   3.7714 6.632965 5.492385 
1 1 1   15    6   16 o   18.108   7.8322  -0.1891   3.8822   4.0776   8.4241  -1.3396   4.3744   29.632   12.084   18.037   8.0375 11.59533 14.51285 
1 1 1   15    6   17 o   50.154   4.6472   19.355   3.4356   19.917   5.9835   19.078   4.1963   49.224   8.4575   49.366   5.8126 -0.1417198 10.26236 
1 1 1   15    6   18 o   24.395   8.0702   4.8107   3.4159   1.5687   5.2225   7.2349   4.5159   21.921   9.2713   29.096   9.2531 -7.174461 13.09876 
1 1 1   15    6   19 o   19.287   7.7076   2.1307   3.3503   3.8306   6.6853   1.5605   3.8715   25.204   10.565   19.337   8.0678 5.867508 13.29354 
1 1 1   15    7    0 o  101.027   2.8653   76.293   4.3081   76.293   4.3081   76.293   4.3081  101.027   2.8653  101.027   2.8653 0.000000 0.000000 
1 1 1   15    7    1 o  277.572   1.9807  574.550   8.1971  574.807   11.378  574.272   11.819  277.594   2.7491  277.458   2.8571 0.1359253 3.964936 
1 1 1   15    7    2 o  333.638   2.3726  830.227   11.802  854.410   14.943  790.128   19.242  338.418   2.9616  325.343   3.9668 13.07483 4.950382 
1 1 1   15    7    3 o  212.369   1.7693  336.316   5.6021  348.672   8.7501  327.733   7.2928  216.193   2.7146  209.620   2.3334 6.573929 3.579610 
1 1 1   15    7    4 o  238.713   1.8895  424.963   6.7250  436.060   11.241  418.779   8.3925  241.734   3.1189  236.945   2.3756 4.789001 3.920627 
1 1 1   15    7    5 o  165.684   1.8301  204.726   4.5209  208.698   7.0712  201.979   5.8795  167.238   2.8359  164.546   2.3965 2.692001 3.712891 
1 1 1   15    7    6 o  152.029   1.8923  172.386   4.2893  176.615   6.6381  169.354   5.6202  153.832   2.8942  150.658   2.5020 3.173508 3.825743 
1 1 1   15    7    7 o  276.205   1.9189  569.056   7.9024  571.276   12.207  567.454   10.368  276.633   2.9596  275.758   2.5218 0.8750000 3.888255 
1 1 1   15    7    8 o  289.586   2.3308  625.776   10.063  653.997   17.287  611.309   12.377  295.781   3.9198  286.143   2.9011 9.638275 4.876620 
1 1 1   15    7    9 o  104.118   2.5904   80.927   4.0213   76.471   5.6502   85.500   5.7245  101.136   3.7470  106.952   3.5899 -5.816437 5.189159 
1 1 1   15    7   10 o  166.007   2.5136  205.751   6.2214  201.316   7.9889  212.585   9.9172  164.124   3.2647  168.558   3.9461 -4.433334 5.121514 
1 1 1   15    7   11 o  161.162   2.3015  193.904   5.5303  192.606   9.4946  194.570   6.8036  160.397   3.9702  161.381   2.8276 -0.9836121 4.874180 
1 1 1   15    7   12 o   29.563   7.3330   6.8773   3.2165   6.5963   4.9337   7.0851   4.2420   29.769   9.6916   30.193   8.8506 -0.4238110 13.12483 
1 1 1   15    7   13 o   83.191   3.5834   51.817   4.4448   57.612   6.5815   46.958   6.0267   87.388   5.0732   78.849   5.1548 8.538612 7.232477 
1 1 1   15    7   14 o  123.674   2.9730  114.453   5.4821  120.023   8.0016  109.527   7.5259  126.400   4.2458  120.761   4.1799 5.639275 5.958001 
1 1 1   15    7   15 o   88.681   3.5166   59.057   4.6497   63.465   8.2728   57.021   5.6216   91.069   6.1284   86.975   4.3351 4.093231 7.506683 
1 1 1   15    7   16 o   67.447   4.6510   34.715   4.6486   36.896   10.910   34.231   5.1384   65.947   11.514   66.782   5.2016 -0.8344879 12.63479 
1 1 1   15    7   17 o   23.291   8.7268   3.6953   4.0930  -1.6667   10.658   4.6230   4.4330   26.921   12.222   25.078   9.1372 1.843781 15.25973 
1 1 1   15    7   18 f   47.593   5.4302   17.948   3.7843   16.011   6.4615   18.959   4.6687   41.822   10.405   48.238   6.6698 -6.415833 12.35901 
1 1 1   15    8    0 o  122.397   2.4867  111.850   4.5337  111.850   4.5337  111.850   4.5337  122.397   2.4867  122.397   2.4867 0.000000 0.000000 
1 1 1   15    8    1 o  131.874   1.6464  129.682   3.2371  128.246   4.9807  130.732   4.2593  131.117   2.5478  132.394   2.1577 -1.276810 3.338718 
1 1 1   15    8    2 o  144.961   2.0344  156.723   4.3970  158.341   5.8562  154.632   6.6571  145.684   2.6961  143.950   3.1017 1.733948 4.109694 
1 1 1   15    8    3 o  126.006   1.8511  118.411   3.4777  126.212   5.6610  113.682   4.4075  130.053   2.9195  123.448   2.3946 6.604889 3.775917 
1 1 1   15    8    4 f  351.144   2.2035  919.762   11.536  921.783   21.156  918.906   13.762  351.278   4.0394  350.936   2.6303 0.3423157 4.820256 
1 1 1   15    8    5 o   64.090   2.7669   30.654   2.6440   29.889   4.1200   31.189   3.4475   63.080   4.4084   64.523   3.5979 -1.442913 5.690228 
1 1 1   15    8    6 o   62.595   3.2714   29.339   3.0425   30.552   4.1044   27.859   4.5330   63.775   4.3423   60.801   5.0459 2.974113 6.657092 
1 1 1   15    8    7 o   77.165   2.8006   44.453   3.2222   40.588   5.5451   46.423   3.9592   73.441   5.0955   78.832   3.3685 -5.390839 6.108298 
1 1 1   15    8    8 o   67.486   3.0778   34.017   3.0969   27.376   5.1569   37.763   3.8730   60.116   5.8265   70.981   3.6722 -10.86503 6.887184 
1 1 1   15    8    9 o  162.605   2.3860  197.367   5.7845  198.742   8.8399  196.338   7.6497  163.028   3.6367  162.099   3.1651 0.9291687 4.821206 
1 1 1   15    8   10 o   86.000   2.9083   55.258   3.7291   55.546   6.1438   55.091   4.6922   85.925   4.8151   85.813   3.6674 0.1118774 6.052638 
1 1 1   15    8   11 o  226.662   2.2234  383.553   7.5139  393.056   13.058  378.850   9.1872  229.128   3.8224  225.184   2.7364 3.944580 4.700890 
1 1 1   15    8   12 o   86.134   3.2497   55.495   4.1734   49.965   6.1896   60.104   5.6512   81.368   5.1282   89.534   4.2333 -8.165802 6.649743 
1 1 1   15    8   13 o  101.891   3.4121   77.737   5.1835   77.764   6.9479   77.703   7.7844  101.729   4.5808  101.453   5.1633 0.2756500 6.902399 
1 1 1   15    8   14 o   32.929   7.5000   8.6251   3.5999   11.326   5.6154   6.7403   4.6905   37.402   9.9107   29.582   9.4327 7.819616 13.68201 
1 1 1   15    8   15 o  116.725   2.9720  102.203   5.1723   98.513   9.6241  103.702   6.1333  113.668   5.6787  117.436   3.5029 -3.767380 6.672167 
1 1 1   15    8   16 o  113.284   3.0654   96.614   5.1776   80.290   9.2005  104.179   6.2635  101.652   6.0987  117.428   3.5774 -15.77625 7.070513 
1 1 1   15    8   17 o   29.352   8.1127   7.2791   3.6688   9.8632   6.5077   6.0751   4.4420   33.340   11.143   27.206   9.2058 6.134264 14.45415 
1 1 1   15    8   18 o   15.449   7.0859  -1.8168   3.7040 -13.6378   5.6258   7.2281   4.9210   13.405   6.7071   28.559   9.6894 -15.15386 11.78433 
1 1 1   15    9    0 o  266.042   5.5662  529.201   22.057  529.201   22.057  529.201   22.057  266.042   5.5662  266.042   5.5662 0.000000 0.000000 
1 1 1   15    9    1 o  115.439   2.4911   99.422   4.2876  107.316   11.452   98.135   4.6238  119.499   6.4517  114.681   2.7042 4.817497 6.995481 
1 1 1   15    9    2 o  158.628   2.3219  187.717   5.4916  173.844   10.392  193.092   6.4684  152.500   4.5706  160.863   2.6969 -8.363266 5.306998 
1 1 1   15    9    3 o  113.363   2.0971   95.863   3.5445   96.102   8.0448   95.805   3.9484  113.360   4.7598  113.321   2.3369 0.3947449E-01 5.302493 
1 1 1   15    9    4 o   91.183   2.1034   62.023   2.8596   66.284   4.5054   59.149   3.7005   94.220   3.2072   89.022   2.7880 5.197937 4.249545 
1 1 1   15    9    5 o  177.620   2.0571  235.359   5.4476  235.662   7.2517  234.966   8.2534  177.686   2.7373  177.390   3.1206 0.2959747 4.150968 
1 1 1   15    9    6 o  124.994   2.7689  116.636   5.1601   0.0000   0.0000  116.636   5.1601  ?   ?   124.994   2.7689 0.000000 2.768861 
1 1 1   15    9    7 o  191.034   1.9676  272.274   5.6043  277.469   8.2780  267.878   7.6149  192.760   2.8803  189.419   2.6963 3.340530 3.945388 
1 1 1   15    9    8 o  117.669   2.1629  103.332   3.7946  102.295   5.8814  104.072   4.9666  116.987   3.3719  118.045   2.8219 -1.058060 4.396897 
1 1 1   15    9    9 o   16.419   7.0740  -0.2684   3.1422  -0.5078   4.1947   0.0377   4.7431   18.767   8.1293   20.570   8.7727 -1.802900 11.96014 
1 1 1   15    9   10 o   28.997   6.8606   6.6051   2.9198   8.6788   4.4235   5.0042   3.8867   33.163   8.8005   26.154   8.6063 7.008322 12.30925 
1 1 1   15    9   11 o  206.920   2.3241  319.734   7.1700  326.118   13.311  317.124   8.5101  208.548   4.2809  205.999   2.7707 2.549026 5.099358 
1 1 1   15    9   12 o  128.107   2.7369  122.672   5.2276  133.573   10.104  118.687   6.1088  133.243   5.0859  125.939   3.2533 7.303238 6.037405 
1 1 1   15    9   13 o   76.575   4.5626   44.267   5.1855   39.236   7.8050   48.242   6.9382   71.322   7.4496   79.631   5.8855 -8.308678 9.494001 
1 1 1   15    9   14 o   78.023   4.1677   45.977   4.8307   35.840   7.6639   52.659   6.2224   67.754   7.7246   83.274   5.0353 -15.52005 9.220828 
1 1 1   15    9   15 o   16.802   7.3582  -0.5301   3.5172   3.3772   7.0317  -1.8338   4.0618   27.100   11.045   16.791   7.5914 10.30918 13.40195 
1 1 1   15    9   16 o   75.486   4.2010   43.539   4.7095   33.607   11.156   45.693   5.1951   60.582   12.754   77.183   4.5343 -16.60094 13.53645 
1 1 1   15    9   17 o   66.772   4.4462   34.487   4.4011   32.879   7.1110   35.486   5.6033   62.964   7.7376   66.995   5.6627 -4.031380 9.588331 
1 1 1   15    9   18 o   13.442   6.4716  -4.7695   3.8336  -0.6830   6.2057  -7.2913   4.8750   20.657   9.3573   14.322   6.9884 6.334729 11.67895 
1 1 1   15   10    0 f   78.973   7.2776   47.821   8.4019   47.821   8.4019   47.821   8.4019   78.973   7.2776   78.973   7.2776 0.000000 0.000000 
1 1 1   15   10    1 o  122.836   3.6704  112.718   6.7222  107.636   9.4081  118.019   9.6083  119.904   5.2625  125.568   5.1321 -5.663528 7.350726 
1 1 1   15   10    2 f   90.331   2.6289   60.896   3.5406   54.956   7.6487   62.516   3.9943   85.400   6.0461   91.512   2.9274 -6.111839 6.717546 
1 1 1   15   10    3 o  175.089   2.3114  228.743   6.0341  238.221   10.780  224.418   7.2816  178.513   4.0503  173.388   2.8167 5.125351 4.933449 
1 1 1   15   10    4 o   52.453   3.3454   20.635   2.6026   18.314   6.1978   21.132   2.8678   48.486   8.9014   53.053   3.6476 -4.567642 9.619798 
1 1 1   15   10    5 o   91.563   3.0251   62.612   4.1299   54.997   10.439   64.025   4.4968   84.924   8.3524   92.578   3.2578 -7.654137 8.965293 
1 1 1   15   10    6 o  107.997   2.3729   87.053   3.8209   77.477   7.3876   90.550   4.4644  101.688   4.8726  110.124   2.7190 -8.435623 5.579901 
1 1 1   15   10    7 o  121.941   2.3238  110.993   4.2250  100.798   7.7787  115.259   5.0319  116.004   4.4974  124.234   2.7166 -8.229774 5.254212 
1 1 1   15   10    8 o  172.061   2.3716  221.028   6.0840  227.457   10.578  217.850   7.4375  174.296   4.0703  170.755   2.9213 3.540878 5.010184 
1 1 1   15   10    9 o  130.368   2.8028  126.993   5.4480  126.071   8.7645  127.574   6.9549  129.655   4.5338  130.573   3.5725 -0.9179840 5.772202 
1 1 1   15   10   10 o   41.901   6.0212   13.501   3.6536   14.980   9.0272   13.211   3.9955   43.308   12.966   41.291   6.7212 2.016827 14.60460 
1 1 1   15   10   11 o  120.274   3.0322  108.186   5.4376  127.240   14.685  105.159   5.8537  129.118   7.6623  118.543   3.3119 10.57568 8.347465 
1 1 1   15   10   12 o  102.667   3.1581   78.899   4.8342   77.854   9.1050   79.309   5.7046  101.263   6.0584  102.853   3.7200 -1.589760 7.109334 
1 1 1   15   10   13 o  125.339   3.1773  117.737   5.9377  113.081   9.6499  120.574   7.5324  122.264   5.2936  126.648   3.9890 -4.383621 6.628335 
1 1 1   15   10   14 o  133.812   3.0877  134.404   6.1603  116.937   9.6259  146.520   8.0171  124.036   5.2050  139.447   3.8560 -15.41102 6.477729 
1 1 1   15   10   15 o   30.494   8.3175   7.6866   3.8862   21.801   9.4690   4.8277   4.2617   49.097   12.803   25.472   8.9980 23.62529 15.64859 
1 1 1   15   10   16 o   23.609   8.1177   4.3519   3.4556   2.8830   6.2608   4.9954   4.1440   24.753   10.288   25.243   8.8776 -0.4903297 13.58858 
1 1 1   15   10   17 o   76.100   3.9726   44.626   4.4918   38.396   7.2173   48.564   5.7387   68.089   7.2195   78.727   4.9135 -10.63885 8.732942 
1 1 1   15   11    0 o  138.947   5.0042  144.761   10.336  144.761   10.336  144.761   10.336  138.947   5.0042  138.947   5.0042 0.000000 0.000000 
1 1 1   15   11    1 f  178.479   3.0781  237.891   8.1912  230.050   11.209  246.877   12.000  175.369   4.2869  181.648   4.4306 -6.279465 6.165048 
1 1 1   15   11    2 o   11.885   5.2482  -0.5754   1.8234  -5.1044   6.6027  -0.2015   1.8972   20.295   9.3640   12.741   5.4932 7.553751 10.85634 
1 1 1   15   11    3 o  179.936   2.5295  241.675   6.7863  244.149   16.001  241.132   7.4936  180.337   5.9510  179.709   2.7967 0.6278076 6.575456 
1 1 1   15   11    4 o  182.432   1.9572  248.310   5.3236  257.656   11.069  245.497   6.0720  185.596   3.9999  181.373   2.2454 4.223480 4.587076 
1 1 1   15   11    5 o  177.800   2.8305  236.097   7.5034   0.0000   0.0000  236.097   7.5034  ?   ?   177.800   2.8305 0.000000 2.830461 
1 1 1   15   11    6 o   93.947   2.6519   65.910   3.7146   65.915   7.3464   65.908   4.3055   93.564   5.2878   93.917   3.0747 -0.3534393 6.116768 
1 1 1   15   11    7 o   56.204   3.8217   23.750   3.1835   23.090   6.0025   24.009   3.7552   54.741   7.5558   56.418   4.5016 -1.677376 8.795145 
1 1 1   15   11    8 f  248.867   2.1950  462.379   8.1448  453.759   14.578  466.290   9.8204  246.134   3.9725  249.838   2.6363 -3.703400 4.767703 
1 1 1   15   11    9 o  138.313   2.7918  142.976   5.7574  151.619   9.6975  138.272   7.1548  142.129   4.5762  135.915   3.5307 6.213684 5.779895 
1 1 1   15   11   10 o   65.621   5.0427   32.572   4.8960   26.924   10.295   34.223   5.5657   57.591   12.360   67.160   5.6096 -9.568714 13.57322 
1 1 1   15   11   11 o   91.826   3.2754   63.126   4.4844   56.927   8.2475   65.727   5.3432   86.452   6.4448   93.627   3.8276 -7.175026 7.495762 
1 1 1   15   11   12 f  130.375   2.7830  127.190   5.4097  119.459   9.7488  130.630   6.5028  125.767   5.1989  132.025   3.3035 -6.258362 6.159707 
1 1 1   15   11   13 o   87.337   4.1441   57.490   5.3963   49.870   8.0416   63.732   7.2785   80.358   6.7751   91.475   5.3600 -11.11740 8.638970 
1 1 1   15   11   14 o   87.310   3.4271   57.429   4.4613   38.885   7.8886   66.149   5.4095   70.037   7.6805   93.568   3.8775 -23.53087 8.603808 
1 1 1   15   11   15 o   55.061   5.1988   23.568   4.2174   38.351   11.284   21.168   4.5469   65.369   12.021   51.808   5.9973 13.56111 13.43393 
1 1 1   15   11   16 o   92.046   3.6619   64.627   5.0255   60.301   8.2084   67.221   6.3559   86.736   6.3924   93.287   4.5697 -6.550491 7.857747 
1 1 1   15   11   17 o   22.599   9.1503   3.3008   4.7899   2.2725   5.9318   5.2277   8.1200   22.761   9.7614   27.235   11.542 -4.474142 15.11626 
1 1 1   15   12    0 o   73.391   12.225   43.801   12.261   43.801   12.261   43.801   12.261   73.391   12.225   73.391   12.225 0.000000 0.000000 
1 1 1   15   12    1 o   78.485   5.8541   46.515   6.8011   45.639   8.0831   48.640   12.585   77.510   7.0723   79.050   10.974 -1.540085 13.05526 
1 1 1   15   12    2 o  101.733   2.2817   77.244   3.4608   72.501   8.2660   78.253   3.8109   98.104   5.6754  102.383   2.4965 -4.279137 6.200261 
1 1 1   15   12    3 o   76.915   2.9445   44.191   3.3767   49.481   7.4749   42.835   3.7849   80.869   6.2479   75.702   3.3533 5.166176 7.090933 
1 1 1   15   12    4 o  149.835   1.9741  167.525   4.4101  166.297   9.6381  167.850   4.9597  149.012   4.3381  149.961   2.2182 -0.9495087 4.872372 
1 1 1   15   12    5 o   70.308   3.8467   37.104   4.0171   27.934   6.7428   42.150   5.0017   60.286   7.6758   74.861   4.5021 -14.57478 8.898664 
1 1 1   15   12    6 o   20.616   7.9420   2.1571   3.4474   2.6181   5.6106   1.8775   4.3695   25.074   9.9891   21.982   8.7959 3.092012 13.30978 
1 1 1   15   12    7 o  212.666   2.1708  337.652   6.8831  351.891   12.915  332.002   8.1346  216.726   3.9967  210.814   2.5880 5.911987 4.761486 
1 1 1   15   12    8 o   69.010   3.9859   35.809   4.0838   32.577   6.8717   37.573   5.0777   65.169   7.1920   70.552   4.8567 -5.382942 8.678254 
1 1 1   15   12    9 o   94.217   3.4528   66.459   4.8504   66.255   8.4243   66.559   5.9324   93.468   6.0781   94.189   4.2243 -0.7216263 7.401894 
1 1 1   15   12   10 o  134.361   3.3124  135.162   6.6357  137.360   14.410  134.570   7.4755  134.187   7.2289  133.987   3.7420 0.1999817 8.140054 
1 1 1   15   12   11 o   83.941   3.5415   52.833   4.4323   54.184   8.4905   52.327   5.1966   84.089   6.8312   83.338   4.1957 0.7509995 8.016788 
1 1 1   15   12   12 o   72.072   4.1805   39.250   4.4729   59.221   8.2634   30.974   5.3196   87.876   6.3497   63.620   5.6675 24.25608 8.511132 
1 1 1   15   12   13 o  105.760   3.3299   84.121   5.2507   85.402   8.8444   83.423   6.5251  105.564   5.6397  105.061   4.1656 0.5028000 7.011291 
1 1 1   15   12   14 o   80.489   3.5726   48.993   4.2874   38.432   7.6985   53.741   5.1620   69.255   7.5793   84.103   4.1166 -14.84723 8.625085 
1 1 1   15   12   15 o   50.693   4.9723   20.059   3.7098   24.439   7.0582   18.388   4.3607   53.370   9.2023   47.901   6.2552 5.469635 11.12703 
1 1 1   15   12   16 o   20.391   7.8434   2.7924   3.3584   2.0454   6.2112   3.1011   3.9923   23.170   9.9642   21.657   8.4894 1.513294 13.09027 
1 1 1   15   13    0 o   27.289   14.448   8.2052   7.8856   8.2052   7.8856   8.2052   7.8856   27.289   14.448   27.289   14.448 0.000000 0.000000 
1 1 1   15   13    1 o   42.091   9.0220   13.977   5.4918   14.489   7.4802   13.379   8.0886   42.639   11.502   41.226   12.258 1.412533 16.80904 
1 1 1   15   13    2 o   48.823   7.7035   18.465   5.4217   19.431   7.1531   17.160   8.3114   49.565   10.024   46.257   11.962 3.307861 15.60665 
1 1 1   15   13    3 o  117.706   2.4601  103.456   4.3175   93.753   8.5962  106.730   4.9929  111.738   5.1598  119.525   2.8017 -7.787338 5.871413 
1 1 1   15   13    4 f  115.837   2.0981  100.158   3.6236  103.461   8.5294   99.431   4.0028  117.406   4.8725  115.399   2.3264 2.007042 5.399438 
1 1 1   15   13    5 o  175.721   2.1111  230.503   5.5309  246.930   10.970  224.904   6.4046  181.542   4.0527  173.529   2.4754 8.013458 4.748888 
1 1 1   15   13    6 o   82.938   2.7281   51.405   3.3736   44.474   7.0519   53.462   3.8417   76.509   6.2361   84.556   3.0472 -8.046631 6.940823 
1 1 1   15   13    7 o   62.004   4.5901   29.026   4.2133   28.195   6.6917   29.571   5.4232   60.449   7.5921   62.335   5.9056 -1.885155 9.618566 
1 1 1   15   13    8 o  134.288   2.4295  134.730   4.8644  134.065   9.3825  134.975   5.6887  133.555   4.7118  134.356   2.8398 -0.8017883 5.501419 
1 1 1   15   13    9 o  140.635   2.9519  147.960   6.1896   0.0000   0.0000  147.960   6.1896  ?   ?   140.635   2.9519 0.000000 2.951890 
1 1 1   15   13   10 o   36.562   6.8807   10.496   3.6132   11.342   7.5659   10.245   4.1125   37.810   11.972   35.896   7.8984 1.913975 14.34264 
1 1 1   15   13   11 o   43.242   5.9839   14.473   3.7546   14.174   7.5094   14.573   4.3354   41.387   11.667   43.119   6.9823 -1.731480 13.59680 
1 1 1   15   13   12 o   22.824   8.1703   3.5768   3.5249   6.9686   6.7054   2.2816   4.1436   31.020   11.247   21.750   8.6098 9.269262 14.16453 
1 1 1   15   13   13 o   88.308   3.7271   58.957   4.9073   66.202   8.2912   55.051   6.0882   92.353   6.0548   84.803   4.8352 7.550377 7.748559 
1 1 1   15   13   14 o   61.037   4.2042   28.589   3.8026   24.059   7.1058   30.407   4.5014   53.139   9.3080   62.663   4.8560 -9.523945 10.49852 
1 1 1   15   13   15 o   28.193   7.9564   6.8394   3.4903   5.3075   6.2288   7.5406   4.2140   26.772   10.569   29.310   8.8779 -2.537367 13.80317 
1 1 1   15   13   16 o   32.633   8.0674   9.5033   3.9030   3.9154   6.0822   13.415   5.0889   24.361   10.134   38.157   9.0770 -13.79615 13.60451 
1 1 1   15   14    0 o  163.530   4.8787  200.462   11.871  200.462   11.871  200.462   11.871  163.530   4.8787  163.530   4.8787 0.000000 0.000000 
1 1 1   15   14    1 o  117.729   4.0319  103.835   7.0773  108.419   9.8908   99.026   10.131  120.042   5.5262  114.490   5.9555 5.552048 8.124496 
1 1 1   15   14    2 o   67.142   5.8070   34.202   5.7560   32.988   7.5135   35.927   8.9554   65.457   7.8556   68.013   9.0563 -2.555511 11.98861 
1 1 1   15   14    3 o   30.711   5.3936   7.3001   2.3796   13.591   6.7745   6.4146   2.5416   41.186   10.872   28.628   6.1388 12.55812 12.48576 
1 1 1   15   14    4 o   54.856   3.9562   22.666   3.2141   21.106   7.2480   23.048   3.5859   51.607   9.7776   55.254   4.3889 -3.646893 10.71743 
1 1 1   15   14    5 o  226.835   2.0545  384.154   6.9483  383.391   13.817  384.412   8.0387  226.112   4.0984  226.855   2.3767 -0.7427673 4.737698 
1 1 1   15   14    6 o   45.651   4.1149   15.758   2.7707   16.075   6.6657   15.692   3.0463   44.742   10.217   45.483   4.5533 -0.7411079 11.18534 
1 1 1   15   14    7 f   73.042   4.1456   40.165   4.4961   37.202   7.5102   41.820   5.6131   69.551   7.3538   74.355   5.0939 -4.803581 8.945744 
1 1 1   15   14    8 o   14.257   6.6464  -3.1547   3.4594   0.0000   0.0000  -3.1547   3.4594  ?   ?    14.257   6.6464 0.000000 6.646404 
1 1 1   15   14    9 o   40.920   5.9723   12.943   3.5364   19.059   7.1333   10.950   4.0720   48.580   10.174   37.189   7.6005 11.39106 12.69978 
1 1 1   15   14   10 o   68.202   3.9177   35.088   3.9671   35.715   7.9759   34.882   4.5729   67.562   8.0781   67.864   4.5457 -0.3023758 9.269242 
1 1 1   15   14   11 o   81.325   3.7389   49.795   4.5336   37.960   7.8453   55.729   5.5549   69.540   7.6957   85.778   4.3578 -16.23782 8.843874 
1 1 1   15   14   12 o   66.809   3.9007   33.863   3.8686   24.887   7.0195   37.779   4.6362   55.245   8.8186   70.402   4.4395 -15.15653 9.873049 
1 1 1   15   14   13 o   53.702   5.2396   22.454   4.1418   17.536   7.0927   24.999   5.1021   44.472   10.804   56.235   6.1876 -11.76246 12.45004 
1 1 1   15   14   14 o   49.623   5.4606   19.499   3.9733   16.814   9.6143   20.052   4.3633   40.470   13.544   50.055   5.9640 -9.584534 14.79929 
1 1 1   15   14   15 o   13.812   6.4921  -2.8340   3.4158  -7.7240   6.4111  -0.8957   4.0365   16.942   8.2087   16.898   7.6104 0.4372025E-01 11.19378 
1 1 1   15   15    0 o  113.210   6.4744   97.032   10.847   97.032   10.847   97.032   10.847  113.210   6.4744  113.210   6.4744 0.000000 0.000000 
1 1 1   15   15    1 o   76.392   5.7539   44.254   6.5055   55.646   9.1908   32.816   9.2095   85.302   7.2966   64.578   9.8790 20.72372 12.28156 
1 1 1   15   15    2 f   95.312   4.9063   68.485   6.9486   61.648   9.2813   77.206   10.482   89.896   6.9793  100.645   7.0291 -10.74803 9.905506 
1 1 1   15   15    3 o   17.466   6.6674   1.6121   2.4153  -1.9538   6.9868   2.0961   2.5740   23.055   10.222   18.750   6.9410 4.305733 12.35604 
1 1 1   15   15    4 o   50.781   4.2635   19.491   3.1981   10.217   7.3449   21.661   3.5526   36.412   11.824   53.513   4.4943 -17.10081 12.64898 
1 1 1   15   15    5 o   83.994   2.4534   52.720   3.0725   50.833   7.6314   53.084   3.3566   81.700   6.3139   84.265   2.6716 -2.565659 6.855840 
1 1 1   15   15    6 o   81.313   2.7428   49.444   3.3253   43.483   7.4118   50.946   3.7208   75.407   6.6608   82.512   3.0245 -7.104675 7.315346 
1 1 1   15   15    7 o  110.457   2.7591   91.260   4.5439  101.297   12.689   89.784   4.8666  114.948   7.4436  109.529   2.9801 5.419083 8.018005 
1 1 1   15   15    8 o   86.923   3.3324   56.633   4.3188   48.482   11.520   57.966   4.6586   78.151   10.125   87.907   3.5543 -9.756279 10.73065 
1 1 1   15   15    9 o   61.660   4.0169   28.724   3.6727   23.502   7.2775   30.509   4.2542   54.139   9.3539   63.443   4.5271 -9.304031 10.39182 
1 1 1   15   15   10 o   36.135   7.0891   10.397   3.6829   8.1491   7.1606   11.205   4.2945   32.888   11.659   37.293   7.9655 -4.404419 14.11998 
1 1 1   15   15   11 o   68.025   4.8397   35.402   4.8766   27.789   7.7766   40.335   6.2604   58.259   9.2630   72.212   5.8653 -13.95350 10.96377 
1 1 1   15   15   12 o   73.443   3.7055   40.991   4.0445   32.464   7.8097   44.117   4.7279   62.787   8.5659   75.999   4.1886 -13.21212 9.535147 
1 1 1   15   15   13 o   16.298   7.5183  -2.4553   4.2528 -14.9905   8.5562   1.6577   4.9011   17.948   8.8570   21.442   9.0203 -3.494106 12.64172 
1 1 1   15   15   14 o   87.001   3.3461   57.763   4.3404   53.629   8.0842   59.437   5.1448   80.787   6.7741   87.871   3.9269 -7.083504 7.830052 
1 1 1   15   15   15 o   23.359   8.5454   4.6186   3.8829   8.9728   6.9352   2.6305   4.6863   29.780   11.315   21.318   8.8837 8.462114 14.38540 
1 1 1   15   16    0 o   27.163   15.101   7.8987   9.0432   7.8987   9.0432   7.8987   9.0432   27.163   15.101   27.163   15.101 0.000000 0.000000 
1 1 1   15   16    1 o  164.329   3.7039  202.433   9.0751  190.408   12.012  218.426   13.852  158.991   5.0672  170.146   5.4605 -11.15495 7.449335 
1 1 1   15   16    2 o  144.008   3.9460  155.590   8.4725  161.872   11.387  147.799   12.681  146.540   5.2119  139.746   6.0860 6.794769 8.012687 
1 1 1   15   16    3 o   66.845   6.7026   34.255   6.5901   25.887   8.2141   49.370   11.040   57.000   10.032   79.387   9.5168 -22.38663 13.82763 
1 1 1   15   16    4 o   42.089   5.0827   13.539   3.1250   5.2381   7.6699   15.192   3.4219   30.585   11.828   44.583   5.2484 -13.99822 12.94034 
1 1 1   15   16    5 f   55.801   3.0862   23.382   2.5576   30.293   7.7125   22.528   2.7111   62.220   8.5388   54.735   3.3380 7.485119 9.168043 
1 1 1   15   16    6 o  198.413   2.2622  294.198   6.6924  285.052   18.070  295.652   7.2047  193.743   6.2556  198.865   2.4299 -5.122803 6.710969 
1 1 1   15   16    7 o   67.656   3.5862   34.449   3.6046   30.382   10.728   34.967   3.8271   60.568   12.299   68.127   3.7826 -7.559669 12.86780 
1 1 1   15   16    8 o  113.386   2.6944   96.266   4.5550   97.520   9.1618   95.854   5.2498  113.364   5.4204  113.060   3.1143 0.3044662 6.251418 
1 1 1   15   16    9 o   68.273   3.7742   35.215   3.8270   25.740   7.4325   38.634   4.4643   56.470   9.1400   71.406   4.2118 -14.93649 10.06376 
1 1 1   15   16   10 o  117.916   2.7772  104.392   4.8826   99.562   9.1023  106.343   5.7854  114.070   5.3520  118.853   3.2647 -4.783844 6.269127 
1 1 1   15   16   11 o   78.940   4.0739   47.509   4.7785   44.034   8.1478   49.330   5.8997   74.084   7.4789   80.016   4.9698 -5.931938 8.979545 
1 1 1   15   16   12 o   38.487   6.2767   11.978   3.4776   24.648   7.0773   7.9451   3.9929   53.521   9.2005   30.414   8.4842 23.10705 12.51520 
1 1 1   15   16   13 o  101.358   3.3745   78.369   5.0997   81.541   8.3489   76.480   6.4408  101.325   5.5475   99.388   4.3465 1.936874 7.047439 
1 1 1   15   16   14 o   14.357   6.6625  -2.0382   3.4140   1.4870   6.7511  -3.2494   3.9573   22.663   10.048   14.642   6.9144 8.021296 12.19745 
1 1 1   15   17    0 o   23.632   14.128   4.7460   8.8397   4.7460   8.8397   4.7460   8.8397   23.632   14.128   23.632   14.128 0.000000 0.000000 
1 1 1   15   17    1 o   84.069   5.9666   53.801   7.4303   52.600   9.8013   55.423   11.393   82.418   8.0800   84.155   9.2320 -1.736206 12.26854 
1 1 1   15   17    2 o   19.874   9.1676  -4.5142   6.3234   0.7574   8.3471 -11.6143   9.6871   27.251   11.630   22.120   10.552 5.130795 15.70391 
1 1 1   15   17    3 f  163.298   3.8461  200.194   9.3643  211.554   12.461  185.456   14.194  167.467   4.9906  156.350   6.0887 11.11670 7.872643 
1 1 1   15   17    4 o   16.925   7.2155   0.0734   3.2065 -11.6909   10.719   1.2296   3.3604   23.621   11.221   18.888   7.6585 4.732344 13.58516 
1 1 1   15   17    5 o  124.259   4.2759  116.221   7.9218  124.971   10.018  101.617   12.942  128.547   5.2268  114.776   7.6061 13.77089 9.228829 
1 1 1   15   17    6 o   27.917   6.3949   6.1764   2.6046   2.4067   10.499   6.4237   2.6887   31.043   13.138   28.463   6.4807 2.579086 14.64954 
1 1 1   15   17    7 o   78.254   3.0569   45.935   3.5666   38.613   7.7127   47.926   4.0226   70.325   7.4701   79.878   3.3776 -9.552841 8.198244 
1 1 1   15   17    8 o   27.110   7.6333   5.8956   3.2164   7.8424   7.0212   5.3785   3.6184   32.253   11.533   26.209   8.2772 6.043930 14.19561 
1 1 1   15   17    9 o   22.401   7.9013   3.5958   3.2849   9.0314   6.8803   1.9910   3.7385   33.329   11.455   20.461   8.1532 12.86812 14.06013 
1 1 1   15   17   10 o   23.012   8.2213   3.8647   3.5673   5.1084   7.2990   3.4744   4.0889   28.485   11.379   22.990   8.6990 5.495186 14.32301 
1 1 1   15   17   11 o   34.554   7.8830   10.105   3.9714   13.013   7.1953   8.8311   4.7626   37.268   11.658   31.752   9.3979 5.516014 14.97415 
1 1 1   15   17   12 o   25.647   8.0380   5.6365   3.4189   8.4679   6.2001   4.3995   4.0982   30.410   10.841   23.738   8.7641 6.671755 13.94068 
1 1 1   15   17   13 o   18.462   8.0482   0.5919   4.1652  -2.6365   8.5872   1.5851   4.7630   22.127   10.366   20.424   8.7527 1.703415 13.56700 
1 1 1   15   17   14 o   29.519   8.4395   8.2768   3.9008  -0.6220   6.8986   12.459   4.7294   20.682   9.5527   36.024   8.8655 -15.34165 13.03268 
1 1 1   15   18    0 o   32.711   18.475   11.765   13.808   11.765   13.808   11.765   13.808   32.711   18.475   32.711   18.475 0.000000 0.000000 
1 1 1   15   18    1 o  126.978   6.7059  123.424   12.651  127.135   17.694  119.545   18.094  127.307   9.3880  123.059   9.9468 4.248291 13.67754 
1 1 1   15   18    2 o  102.433   6.8170   80.547   10.352   84.240   13.389   75.058   16.322  103.823   8.7306   96.300   11.601 7.523689 14.51942 
1 1 1   15   18    3 o   35.027   10.864   9.8371   6.2642   8.0102   7.8319   13.081   10.437   33.513   12.155   40.634   14.100 -7.120892 18.61580 
1 1 1   15   18    4 o  102.478   3.0628   78.736   4.6797   62.390   9.3006   84.277   5.4152   89.905   6.9934  105.946   3.4281 -16.04131 7.788408 
1 1 1   15   18    5 o   28.220   8.3395   6.3320   3.7527   3.9996   11.030   6.6373   3.9908   32.562   13.604   28.881   8.6154 3.681513 16.10286 
1 1 1   15   18    6 o   99.339   2.4700   73.904   3.6584   54.303   8.5620   78.281   4.0464   83.599   6.9316  102.203   2.6554 -18.60368 7.422863 
1 1 1   15   18    7 o   75.678   3.2096   43.078   3.6215   43.980   8.1737   42.857   4.0397   74.716   7.4360   75.399   3.5935 -0.6825256 8.258778 
1 1 1   15   18    8 o   25.822   7.5384   5.3896   3.0830  -5.4660   6.7300   8.2728   3.4683   19.538   9.1608   31.816   7.4437 -12.27725 11.80378 
1 1 1   15   18    9 o   52.064   4.5870   20.908   3.5243   19.522   7.1675   21.350   4.0474   47.213   10.458   52.347   5.2569 -5.133038 11.70445 
1 1 1   15   18   10 o   15.462   6.8216  -0.4551   3.0739  -2.4552   6.4517   0.1323   3.4962   20.393   9.3528   17.140   7.4231 3.252556 11.94060 
1 1 1   15   18   11 o   43.970   5.5605   15.521   3.5638   19.861   9.1393   14.743   3.8702   43.335   13.063   42.417   6.3120 0.9184837 14.50773 
1 1 1   15   18   12 o   30.378   7.5345   8.1321   3.3960   16.221   6.7849   5.4284   3.9227   40.031   11.020   24.897   8.6439 15.13412 14.00528 
1 1 1   15   18   13 o   44.628   6.8070   17.222   4.3860   14.149   6.5764   19.684   5.8862   35.952   11.129   45.567   8.9833 -9.614834 14.30200 
1 1 1   15   19    0 o   33.792   16.859   13.403   10.337   13.403   10.337   13.403   10.337   33.792   16.859   33.792   16.859 0.000000 0.000000 
1 1 1   15   19    1 o   52.681   9.2364   22.407   6.9903   22.686   8.8891   21.953   11.316   51.913   11.757   50.023   14.396 1.889999 18.58735 
1 1 1   15   19    2 o   33.067   11.220   8.5263   6.5987   11.256   8.0886   3.0948   11.410   37.254   12.423   32.205   13.667 5.048939 18.46930 
1 1 1   15   19    3 o   21.117   9.7280  -4.3943   7.0866  -2.6809   8.1220  -9.8587   14.505   23.946   10.789   28.746   13.469 -4.799919 17.25706 
1 1 1   15   19    4 o   86.879   3.5982   56.847   4.6609   46.606   12.794   58.414   5.0048   74.355   11.945   88.014   3.8139 -13.65890 12.53877 
1 1 1   15   19    5 o   72.029   4.0059   39.337   4.2851   23.477   7.5139   46.981   5.2166   53.254   9.8252   78.580   4.4710 -25.32532 10.79463 
1 1 1   15   19    6 o   81.649   2.5913   50.032   3.1546   39.624   7.5263   52.251   3.4745   70.766   7.2349   83.394   2.7944 -12.62804 7.755843 
1 1 1   15   19    7 o   14.784   6.4158  -0.1809   2.6223   1.1315   6.1545  -0.4721   2.8986   23.281   9.9625   15.160   6.6585 8.120498 11.98283 
1 1 1   15   19    8 o   64.328   3.6573   31.535   3.4933   20.986   7.0894   34.918   4.0145   49.013   10.039   67.557   4.0034 -18.54428 10.80779 
1 1 1   15   19    9 o   42.048   5.7932   14.169   3.5354   11.214   6.8436   15.245   4.1291   34.555   11.422   43.200   6.6218 -8.644550 13.20305 
1 1 1   15   19   10 o   37.635   6.4604   11.742   3.4945   1.6245   8.9289   13.572   3.7975   25.486   11.411   40.487   6.5116 -15.00042 13.13815 
1 1 1   15   19   11 o   62.375   3.9317   30.276   3.6378   24.096   6.6998   32.859   4.3319   51.257   9.1002   64.555   4.5294 -13.29836 10.16505 
1 1 1   15   19   12 o   13.875   6.5332  -2.5914   3.4865   6.7299   9.6179  -4.0016   3.7410   27.292   12.052   13.448   6.4534 13.84424 13.67121 
1 1 1   15   20    0 o   41.811   19.836   21.242   14.062   21.242   14.062   21.242   14.062   41.811   19.836   41.811   19.836 0.000000 0.000000 
1 1 1   15   20    1 o   35.574   12.819   10.090   8.6912   18.733   11.997   0.5450   12.608   45.360   15.130   31.199   13.787 14.16140 20.46941 
1 1 1   15   20    2 o   64.791   11.054   35.466   10.296   53.510   13.929   13.736   15.286   78.882   12.240   41.510   16.503 37.37186 20.54692 
1 1 1   15   20    3 o   59.518   9.6157   29.322   8.2420   39.405   12.466   21.490   10.986   66.668   13.008   48.167   14.277 18.50140 19.31444 
1 1 1   15   20    4 o   75.322   3.4450   42.831   3.8688   30.428   8.5065   46.065   4.3441   60.333   9.7921   78.029   3.7340 -17.69617 10.47985 
1 1 1   15   20    5 o   71.672   4.0157   39.147   4.2739   31.281   7.9819   42.309   5.0605   61.428   8.9803   74.273   4.5922 -12.84439 10.08632 
1 1 1   15   20    6 o   17.800   6.6422   2.0240   2.3664   1.8220   6.6890   2.0529   2.5301   24.403   10.413   18.150   6.8488 6.253632 12.46343 
1 1 1   15   20    7 o   48.860   3.9612   18.363   2.8608   11.730   6.9288   19.726   3.1411   35.519   11.479   50.555   4.2054 -15.03595 12.22525 
1 1 1   15   20    8 o   57.935   6.7789   27.522   5.7448   37.836   7.5126   13.000   8.9150   67.245   7.6280   35.785   12.970 31.46016 15.04678 
1 1 1   15   20    9 o   26.405   7.7431   6.1010   3.2462   6.0932   8.4341   6.1024   3.5172   28.116   11.831   26.324   8.1369 1.791731 14.35878 
1 1 1   15   20   10 o   37.835   6.1485   11.983   3.3494   13.371   6.7167   11.523   3.8641   35.518   11.284   36.231   7.4032 -0.7126923 13.49553 
1 1 1   15   20   11 o   22.774   7.9134   4.6427   3.2880   10.097   6.4160   2.7000   3.8291   30.251   10.997   20.010   8.1520 10.24138 13.68902 
1 1 1   15   21    0 o   45.929   15.431   21.554   9.4370   21.554   9.4370   21.554   9.4370   45.929   15.431   45.929   15.431 0.000000 0.000000 
1 1 1   15   21    1 f   19.775   9.0904  -3.1620   6.1433  -6.6179   8.3604   0.8942   9.0574   21.402   10.089   26.819   11.775 -5.416946 15.50621 
1 1 1   15   21    2 o   32.967   10.783   9.3561   6.1046   12.366   8.1428   5.4931   9.2243   37.048   12.465   30.419   12.552 6.629137 17.68955 
1 1 1   15   21    3 o   38.450   9.9823   12.958   5.7730   13.936   7.4251   11.464   9.1799   39.015   11.777   35.854   13.136 3.160553 17.64228 
1 1 1   15   21    4 o   24.756   9.8483   3.7770   5.4465  -2.8728   6.8464   15.240   8.9889   20.899   9.6033   39.727   13.089 -18.82850 16.23402 
1 1 1   15   21    5 o   45.399   5.4035   16.309   3.5858   3.1659   7.3192   20.459   4.1132   25.891   10.964   50.852   5.5133 -24.96155 12.27248 
1 1 1   15   21    6 o   18.786   6.6150   2.6326   2.3015  -3.9147   6.4165   3.5994   2.4656   19.170   8.9744   21.119   6.8500 -1.948753 11.28993 
1 1 1   15   21    7 o   32.417   5.3172   8.4985   2.4809   5.8848   6.1533   9.0058   2.7110   26.857   10.536   33.219   5.6775 -6.362076 11.96839 
1 1 1   15   21    8 o   29.250   10.979   8.2807   6.4839   8.2807   6.4839   0.0000   0.0000   29.250   10.979  ?   ?  0.000000 10.97893 
1 1 1   15   21    9 o   49.961   4.5221   19.872   3.3320   16.546   6.8981   20.884   3.8054   39.302   11.218   50.804   5.0924 -11.50125 12.31984 
1 1 1   15   21   10 o   20.367   7.7017   3.4033   3.2038  -9.4300   6.2224   8.0328   3.7373   15.246   7.5290   28.924   8.2576 -13.67890 11.17470 
1 1 1   15   22    0 o   30.846   15.124   11.817   8.2601   11.817   8.2601   11.817   8.2601   30.846   15.124   30.846   15.124 0.000000 0.000000 
1 1 1   15   22    1 o   29.764   10.658   7.6718   5.9981   9.6827   8.4514   5.6309   8.5142   32.773   12.481   28.936   12.009 3.836096 17.32054 
1 1 1   15   22    2 o   37.932   10.380   13.286   6.0412   10.887   8.6154   15.608   8.4735   33.901   12.669   39.414   12.690 -5.513107 17.93151 
1 1 1   15   22    3 o   26.687   10.151   5.6829   5.5856  -1.3040   7.8255   12.939   7.9750   22.770   10.389   36.026   12.334 -13.25579 16.12677 
1 1 1   15   22    4 o   23.232   9.5897   3.1081   5.3866   13.895   7.1920 -10.6741   8.1293   37.293   11.653   18.455   9.0093 18.83762 14.72992 
1 1 1   15   22    5 f   53.547   4.7142   22.621   3.7253   22.316   7.5582   22.719   4.2815   48.013   10.818   53.161   5.4803 -5.148537 12.12667 
1 1 1   15   22    6 o   54.090   9.8427   27.569   7.6455   27.103   9.7982   28.294   12.225   49.316   13.103   46.430   15.262 2.886257 20.11535 
1 1 1   15   22    7 o   36.921   4.9650   11.039   2.6639  -0.5241   6.5315   13.346   2.9175   20.607   9.4361   40.677   4.9099 -20.06976 10.63708 
1 1 1   15   22    8 o   16.997   6.8957   1.6635   2.7260   3.0416   6.4277   1.3613   3.0101   22.762   9.9583   17.013   7.1074 5.748556 12.23449 
1 1 1   15   22    9 o   42.367   5.1958   14.917   3.2133   8.8522   6.6570   16.760   3.6691   27.724   10.932   44.529   5.6539 -16.80509 12.30783 
1 1 1   15   23    0 o   31.932   15.204   13.055   8.2695   13.055   8.2695   13.055   8.2695   31.932   15.204   31.932   15.204 0.000000 0.000000 
1 1 1   15   23    1 o   22.781   9.7198   2.5711   5.8271   8.3974   8.3259  -3.0229   8.1582   29.854   12.072   21.546   10.097 8.307465 15.73817 
1 1 1   15   23    2 o   38.929   10.087   14.669   5.9023   10.151   7.9973   20.073   8.7474   31.398   12.096   42.541   12.770 -11.14315 17.58929 
1 1 1   15   23    3 o   50.065   8.8480   22.848   6.3632   20.999   9.8757   24.160   8.3206   41.666   13.719   48.176   11.700 -6.509434 18.03077 
1 1 1   15   23    4 o   27.092   11.033   6.6604   7.0111  -0.7875   9.6377   15.033   10.218   23.609   11.035   34.612   13.578 -11.00299 17.49652 
1 1 1   15   23    5 o   31.574   6.7366   8.6925   3.0746   3.5236   6.9643   9.9438   3.4267   23.864   10.405   33.594   7.0652 -9.730131 12.57707 
1 1 1   15   23    6 o   17.289   7.3171   1.2841   3.2564   9.8956   6.4640  -1.6446   3.7697   29.822   11.007   15.178   7.0284 14.64418 13.05999 
1 1 1   15   23    7 o   14.167   6.0156   0.6253   2.2125  -1.8358   6.0893   0.9996   2.3748   18.478   8.6795   15.118   6.3141 3.359756 10.73320 
1 1 1   15   23    8 o   14.350   6.4497  -0.2447   2.8820   9.7681   6.5747  -2.6263   3.2065   28.012   10.918   12.882   6.1245 15.13005 12.51868 
1 1 1   15   24    0 o   14.117   9.8279  -4.9156   7.3996  -4.9156   7.3996  -4.9156   7.3996   14.117   9.8279   14.117   9.8279 0.000000 0.000000 
1 1 1   15   24    1 o   18.861   8.7315  -1.2920   5.8125   1.5793   8.5254  -3.7861   7.9455   23.374   10.732   20.031   9.5562 3.342432 14.36970 
1 1 1   15   24    2 o   25.223   9.9331   6.0177   5.4888   13.578   7.6252  -2.1121   7.9072   33.499   12.014   20.718   9.7807 12.78086 15.49211 
1 1 1   15   24    3 o   20.909   9.0351   2.4282   5.1562   5.6550   7.0416  -1.3023   7.5711   25.099   10.696   20.652   9.6937 4.446905 14.43531 
1 1 1   15   24    4 o   34.732   9.7201   12.675   5.2320   14.732   7.3495   10.562   7.4497   34.373   11.837   29.434   11.578 4.939283 16.55845 
1 1 1   15   24    5 o   22.622   9.3163   4.5646   5.0691  -4.1360   6.6354   16.759   7.8555   17.735   8.5325   35.390   12.235 -17.65532 14.91663 
1 1 1   15   24    6 f   29.525   7.9417   8.6246   3.5723   24.225   10.099   6.3936   3.8192   38.240   13.813   24.920   8.5357 13.31991 16.23756 
1 1 1   15   24    7 o   11.245   5.0307  -0.2874   1.7317   4.2074   6.8960  -0.5899   1.7890   22.004   9.9251   10.996   4.9978 11.00824 11.11242 
1 1 1   15   25    0 o   55.667   10.117   27.993   7.5750   27.993   7.5750   27.993   7.5750   55.667   10.117   55.667   10.117 0.000000 0.000000 
1 1 1   15   25    1 o   18.339   8.3509   0.4142   5.0244   6.0986   7.0474  -5.4617   7.1651   24.293   10.530   17.548   8.5425 6.744669 13.55931 
1 1 1   15   25    2 o   37.807   12.343   19.812   8.0007   0.0000   0.0000   19.812   8.0007  ?   ?    37.807   12.343 0.000000 12.34333 
1 1 1   15   25    3 o   21.689   9.3583   4.0700   5.5152   4.9062   7.2732   2.9386   8.4602   23.004   10.299   22.222   10.371 0.7813148 14.61596 
1 1 1   15   25    4 o   23.442   9.7020   6.0885   5.5348   10.047   7.7030   1.8636   7.9579   26.586   11.253   21.072   9.9060 5.513519 14.99191 
1 1 1   16    1    0 o  333.139   3.0549  827.692   15.171  827.692   15.171  827.692   15.171  333.139   3.0549  333.139   3.0549 0.000000 0.000000 
1 1 1   16    1    1 o  261.812   2.0606  511.078   8.0437  509.846   10.915  512.541   11.900  261.479   2.7998  262.162   3.0443 -0.6832886 4.136015 
1 1 1   16    1    2 o  144.926   2.1558  156.606   4.6583  168.278   6.3559  143.059   6.8472  150.220   2.8378  138.499   3.3159 11.72116 4.364421 
1 1 1   16    1    3 o  249.361   2.0120  463.629   7.4803  465.656   10.414  461.469   10.752  249.887   2.7951  248.758   2.8988 1.129105 4.026908 
1 1 1   16    1    4 o  215.761   1.9881  347.108   6.3955  336.854   8.7855  358.668   9.3280  212.532   2.7725  219.303   2.8528 -6.771378 3.978091 
1 1 1   16    1    5 o  117.048   2.5875  102.169   4.5156  108.373   7.3097   98.341   5.7423  120.517   4.0680  114.820   3.3543 5.696899 5.272564 
1 1 1   16    1    6 o   78.573   2.8891   46.049   3.3847   45.980   4.9033   46.113   4.6779   78.377   4.2114   78.506   4.0099 -0.1283646 5.815060 
1 1 1   16    1    7 o  220.433   2.0233  362.356   6.6497  375.192   9.6586  350.790   9.1687  224.264   2.8886  216.852   2.8358 7.412674 4.047924 
1 1 1   16    1    8 o  244.197   2.0790  444.747   7.5695  445.850   10.770  443.670   10.641  244.445   2.9551  243.848   2.9267 0.5962830 4.159106 
1 1 1   16    1    9 o  179.148   2.3651  239.428   6.3173  239.311   8.1940  239.600   9.9193  179.060   3.0692  179.119   3.7142 -0.5821228E-01 4.818265 
1 1 1   16    1   10 o   52.638   4.0950   20.833   3.1885   24.549   4.6810   17.617   4.3552   56.979   5.5816   48.075   6.2219 8.903896 8.358642 
1 1 1   16    1   11 o   32.440   6.2882   8.1677   2.9317   5.9886   4.5618   9.7008   3.8264   28.603   9.3196   35.236   7.5129 -6.632259 11.97072 
1 1 1   16    1   12 o   55.566   4.0075   23.216   3.2979   11.066   5.0728   32.111   4.3402   37.458   9.1595   65.337   4.4825 -27.87924 10.19751 
1 1 1   16    1   13 o   98.114   2.8643   71.911   4.1901   78.683   6.7183   67.599   5.3604  102.489   4.3966   95.055   3.7823 7.433319 5.799596 
1 1 1   16    1   14 o  166.512   2.2171  206.979   5.5044  206.372   9.1466  207.324   6.8921  166.066   3.6941  166.587   2.7749 -0.5201416 4.620207 
1 1 1   16    1   16 f  142.760   2.4782  152.373   5.2749  159.560   8.7632  148.290   6.6057  145.742   4.0328  140.709   3.1486 5.032303 5.116414 
1 1 1   16    1   17 o   95.274   3.1860   68.159   4.5258   66.909   7.1550   68.992   5.8432   93.727   5.1397   95.631   4.0981 -1.903893 6.573506 
1 1 1   16    1   18 o   78.314   3.3629   46.281   3.9267   46.354   6.6350   46.241   4.8714   77.265   5.8019   77.907   4.2094 -0.6422424 7.168072 
1 1 1   16    1   19 o   19.551   7.7303   2.0835   3.3367   2.6309   5.5991   1.7820   4.1552   23.608   9.7635   20.508   8.4389 3.100519 12.90512 
1 1 1   16    2    0 o   88.509   4.1463   58.802   5.4443   58.802   5.4443   58.802   5.4443   88.509   4.1463   88.509   4.1463 0.000000 0.000000 
1 1 1   16    2    1 o  194.006   2.3308  280.652   6.7419  292.458   8.2735  257.318   11.632  198.035   2.8021  185.719   4.2006 12.31538 5.049416 
1 1 1   16    2    2 o  384.591   2.2598  1102.90   12.958  1078.78   17.839  1129.83   18.853  380.325   3.1459  389.213   3.2489 -8.887787 4.522399 
1 1 1   16    2    3 o  504.687   2.6176  1899.43   19.697  1917.17   27.888  1881.77   27.823  506.958   3.6895  502.254   3.7155 4.703583 5.236182 
1 1 1   16    2    4 o  380.670   2.4884  1080.64   14.123  1093.02   18.054  1061.10   22.674  382.807   3.1631  377.113   4.0326 5.693848 5.125133 
1 1 1   16    2    5 o  359.656   2.2103  964.598   11.852  992.073   17.096  939.170   16.447  364.685   3.1442  354.831   3.1087 9.854279 4.421561 
1 1 1   16    2    6 o   93.585   2.7817   65.329   3.8814   72.244   6.0435   60.474   5.0637   98.380   4.1201   90.018   3.7728 8.361366 5.586579 
1 1 1   16    2    7 o   78.038   3.7891   45.460   4.4087   42.970   6.3974   47.711   6.0841   75.593   5.7184   79.738   5.1450 -4.144608 7.692285 
1 1 1   16    2    8 o  170.512   2.1288  216.860   5.4119  217.685   7.6902  216.051   7.6176  170.791   3.0199  170.150   3.0027 0.6414032 4.258703 
1 1 1   16    2    9 o   73.768   3.3836   40.633   3.7215   37.549   5.0248   44.381   5.5386   70.695   4.7956   76.878   4.8570 -6.182915 6.825511 
1 1 1   16    2   10 o  161.070   2.2307  193.566   5.3570  193.996   9.5975  193.371   6.4563  161.101   3.9957  160.958   2.6903 0.1424866 4.816940 
1 1 1   16    2   11 f  103.505   2.5219   79.966   3.8919   78.644   6.1482   80.851   5.0275  102.547   4.0212  104.034   3.2412 -1.486671 5.164826 
1 1 1   16    2   12 o  103.104   3.0687   79.422   4.7174   93.401   7.7701   71.261   5.9367  111.652   4.6676   97.582   4.0804 14.06920 6.199680 
1 1 1   16    2   13 o   59.556   3.9340   26.664   3.4736   21.891   5.1491   30.651   4.7057   53.494   6.5956   63.721   4.9930 -10.22677 8.272332 
1 1 1   16    2   14 o   59.330   4.1784   26.506   3.6726   27.827   5.8417   25.642   4.7226   60.364   6.5981   58.134   5.5146 2.230743 8.599141 
1 1 1   16    2   15 o  136.970   2.4880  140.182   5.0810  139.346   8.4041  140.663   6.3789  136.286   4.1359  137.115   3.1203 -0.8288879 5.180911 
1 1 1   16    2   16 o   82.666   3.6608   51.303   4.5121   46.128   6.6497   55.718   6.1426   77.781   5.7752   85.800   4.8212 -8.019104 7.523152 
1 1 1   16    2   17 o   76.545   3.5056   44.109   4.0009   41.148   6.6064   45.824   5.0277   72.970   6.1290   77.697   4.3576 -4.726402 7.520232 
1 1 1   16    2   18 o   43.792   5.5881   15.035   3.5654   17.914   7.3059   14.136   4.0849   45.121   10.967   41.980   6.7554 3.140911 12.88064 
1 1 1   16    2   19 f   32.669   6.8708   8.8395   3.2405   7.7646   5.3056   9.4791   4.0926   29.905   10.061   33.220   8.2896 -3.314478 13.03641 
1 1 1   16    3    0 f  282.422   2.9576  594.924   12.451  594.924   12.451  594.924   12.451  282.422   2.9576  282.422   2.9576 0.000000 0.000000 
1 1 1   16    3    1 o  242.374   2.0286  438.022   7.3306  440.290   10.177  435.577   10.568  242.978   2.8091  241.670   2.9330 1.308273 4.061282 
1 1 1   16    3    2 o  379.577   2.4962  1074.43   14.127  1055.98   17.472  1109.25   24.009  376.272   3.1143  385.570   4.1763 -9.298248 5.209638 
1 1 1   16    3    3 o  161.751   2.0772  195.090   5.0096  189.399   6.7011  202.300   7.5426  159.358   2.8203  164.689   3.0717 -5.331177 4.170125 
1 1 1   16    3    4 o  223.991   1.9822  374.119   6.6198  363.128   9.0359  386.852   9.7256  220.652   2.7466  227.741   2.8642 -7.088959 3.968312 
1 1 1   16    3    5 o  340.069   2.3358  862.477   11.843  884.705   18.497  847.031   15.419  344.329   3.6030  336.961   3.0690 7.367371 4.732850 
1 1 1   16    3    6 o  245.223   2.0276  448.457   7.4134  447.122   10.521  449.772   10.448  244.813   2.8823  245.539   2.8538 -0.7261810 4.056134 
1 1 1   16    3    7 o   93.049   2.9563   64.606   4.1014   65.550   6.7652   64.057   5.1572   93.526   4.8683   92.627   3.7343 0.8991165 6.135560 
1 1 1   16    3    8 o  130.271   2.2813  126.600   4.4310  120.697   6.2170  132.695   6.3171  127.152   3.2793  133.328   3.1778 -6.175453 4.566452 
1 1 1   16    3    9 o   97.060   2.6027   70.304   3.7664   79.363   5.7580   63.529   4.9795  103.066   3.7470   92.219   3.6215 10.84644 5.211108 
1 1 1   16    3   10 o   86.037   2.6987   55.258   3.4619   59.169   5.4087   52.543   4.5058   88.955   4.0780   83.854   3.6039 5.100769 5.442281 
1 1 1   16    3   11 o  141.801   2.2252  150.058   4.7046  148.882   7.3299  150.883   6.1350  141.137   3.4833  142.138   2.8949 -1.001816 4.529216 
1 1 1   16    3   12 o  148.252   2.2816  164.059   5.0432  164.299   8.0547  163.904   6.4679  148.212   3.6450  148.120   2.9288 0.9239197E-01 4.675845 
1 1 1   16    3   13 o  117.791   2.5896  103.627   4.5479   97.251   6.9622  108.372   6.0065  113.951   4.0979  120.382   3.3465 -6.431801 5.290679 
1 1 1   16    3   14 o  111.224   3.3160   92.545   5.4990   88.165   8.6040   95.569   7.1498  108.261   5.3303  112.900   4.2475 -4.638863 6.815681 
1 1 1   16    3   15 o   51.763   4.7448   20.325   3.6212   26.417   6.1833   17.144   4.4674   58.480   7.2467   47.117   6.5353 11.36364 9.758290 
1 1 1   16    3   16 o   58.196   4.3276   25.663   3.7281   30.517   6.6145   23.404   4.5133   62.651   7.2128   55.266   5.5524 7.384399 9.102364 
1 1 1   16    3   17 o   88.019   3.1238   58.266   4.0995   58.433   6.6893   58.165   5.1880   87.345   5.1594   87.708   3.9672 -0.3621521 6.508372 
1 1 1   16    3   18 f  100.761   2.9627   76.557   4.4510   79.299   6.8564   74.559   5.8516  101.787   4.5179   98.994   3.9645 2.792542 6.010744 
1 1 1   16    3   19 o   15.432   6.8399  -0.5424   3.1260   4.4158   5.0020  -3.7197   4.0042   24.743   9.5569   14.708   6.9485 10.03567 11.81587 
1 1 1   16    4    0 o   29.507   14.493   9.5941   7.5908   9.5941   7.5908   9.5941   7.5908   29.507   14.493   29.507   14.493 0.000000 0.000000 
1 1 1   16    4    1 o  157.689   2.4791  185.437   5.8287  174.925   9.8513  191.100   7.2300  153.099   4.3157  160.064   3.0295 -6.965317 5.272855 
1 1 1   16    4    2 o  164.521   2.3788  201.852   5.8352  201.105   7.8446  202.779   8.7308  164.193   3.2044  164.864   3.5519 -0.6704102 4.783708 
1 1 1   16    4    3 o  143.635   2.0914  153.845   4.4788  157.045   6.0435  149.947   6.6707  145.104   2.7934  141.777   3.1557 3.327011 4.214465 
1 1 1   16    4    4 o  235.314   2.1254  412.936   7.4568  405.091   10.878  419.889   10.242  233.022   3.1310  237.253   2.8953 -4.230408 4.264484 
1 1 1   16    4    5 o  301.144   2.5730  676.454   11.553  683.846   15.394  666.922   17.480  302.720   3.4106  298.902   3.9223 3.817657 5.197811 
1 1 1   16    4    6 o  199.277   2.2058  296.192   6.5538  301.265   8.4890  288.707   10.312  200.944   2.8334  196.667   3.5166 4.276627 4.516052 
1 1 1   16    4    7 o  334.770   2.1990  835.975   10.976  841.952   15.655  830.196   15.393  335.862   3.1263  333.513   3.0955 2.349152 4.399515 
1 1 1   16    4    8 o  174.659   1.9462  227.543   5.0682  226.229   7.7971  228.505   6.6694  174.086   3.0040  174.992   2.5562 -0.9059143 3.944392 
1 1 1   16    4    9 o   46.013   4.5047   15.989   3.0508   18.627   5.5112   14.823   3.6633   49.148   7.7800   44.108   5.7040 5.040009 9.646968 
1 1 1   16    4   10 o   79.822   2.8303   47.575   3.3685   44.117   5.2132   50.054   4.4135   76.632   4.5837   81.834   3.6173 -5.201645 5.839129 
1 1 1   16    4   11 o  173.911   2.1302  225.710   5.5236  217.159   8.5606  231.810   7.2299  170.450   3.3685  176.183   2.7523 -5.733139 4.349947 
1 1 1   16    4   12 o   56.791   4.3577   24.305   3.6617   21.884   6.9268   25.244   4.3137   52.898   9.1115   57.779   5.0583 -4.881340 10.42139 
1 1 1   16    4   13 f   39.292   6.0850   11.899   3.4495   9.2221   5.4176   13.723   4.4736   34.306   9.9866   41.974   7.4198 -7.667301 12.44131 
1 1 1   16    4   14 o   55.476   4.6860   23.280   3.8397   26.263   6.0335   21.249   4.9779   58.444   7.0675   52.626   6.4811 5.818359 9.589318 
1 1 1   16    4   15 o   44.061   6.0232   14.975   3.8532   15.265   6.0591   14.778   4.9929   43.540   9.5924   43.237   8.0411 0.3035469 12.51695 
1 1 1   16    4   16 o   12.953   6.2238  -4.9617   3.5043   1.8354   6.5365  -7.7032   4.1513   25.166   10.490   13.050   6.3848 12.11672 12.28038 
1 1 1   16    4   17 f   50.493   4.7108   19.597   3.5055   9.1778   5.5051   26.703   4.5465   33.071   10.173   58.811   5.2398 -25.73968 11.44306 
1 1 1   16    4   18 o   58.753   4.1574   26.499   3.6183   19.454   5.5289   31.777   4.7854   48.464   7.9256   63.935   5.0614 -15.47062 9.403875 
1 1 1   16    4   19 o   25.950   7.9483   5.7778   3.3648   8.4397   5.0234   3.6116   4.5316   30.485   9.7660   23.013   9.0374 7.471668 13.30599 
1 1 1   16    5    0 o  393.584   3.2397  1155.42   19.009  1155.42   19.009  1155.42   19.009  393.584   3.2397  393.584   3.2397 0.000000 0.000000 
1 1 1   16    5    1 o  139.494   2.3921  145.119   4.9752  147.509   5.6949  137.415   10.225  140.630   2.7160  135.648   5.0556 4.982193 5.739006 
1 1 1   16    5    2 o  173.788   2.8464  225.288   7.3755  220.865   10.286  229.968   10.581  172.023   4.0105  175.531   4.0429 -3.507370 5.694708 
1 1 1   16    5    3 o   99.381   2.4232   73.664   3.5905   77.161   4.7901   69.179   5.4245  101.696   3.1591   96.276   3.7789 5.419968 4.925478 
1 1 1   16    5    4 o  164.974   2.1298  202.977   5.2388  203.661   7.5829  202.352   7.2460  165.215   3.0783  164.689   2.9510 0.5261536 4.264327 
1 1 1   16    5    5 o  190.741   2.5471  271.407   7.2437  272.457   7.9384  266.182   17.706  191.097   2.7862  188.573   6.2974 2.524353 6.886254 
1 1 1   16    5    6 o  202.754   1.8638  306.592   5.6342  308.502   8.7183  305.223   7.3830  203.325   2.8759  202.269   2.4481 1.055603 3.776786 
1 1 1   16    5    7 o  234.845   1.8944  411.363   6.6333  414.348   10.329  409.269   8.6534  235.610   2.9404  234.203   2.4781 1.406509 3.845368 
1 1 1   16    5    8 o  246.713   2.0500  454.076   7.5407  455.823   11.025  452.540   10.337  247.090   2.9925  246.219   2.8158 0.8705444 4.109003 
1 1 1   16    5    9 o  116.604   2.2513  101.457   3.9139  104.360   6.1226   99.451   5.0897  118.181   3.4747  115.405   2.9580 2.776352 4.563221 
1 1 1   16    5   10 o   90.533   2.9219   61.216   3.9441   70.531   5.6248   52.207   5.5319   97.107   3.8849   83.383   4.4659 13.72341 5.919174 
1 1 1   16    5   11 f  106.401   2.9081   84.580   4.6134   81.550   7.1650   86.725   6.0297  104.309   4.6070  107.665   3.7562 -3.356056 5.944217 
1 1 1   16    5   12 o  252.365   2.3174  475.511   8.7197  477.117   15.688  474.793   10.489  252.360   4.1695  252.088   2.7907 0.2727203 5.017294 
1 1 1   16    5   13 f   63.422   4.0052   30.257   3.7679   31.130   5.7838   29.613   4.9664   63.956   6.1409   62.515   5.3807 1.440849 8.164770 
1 1 1   16    5   14 o  138.788   2.8111  144.040   5.8169  152.329   8.3305  136.153   8.1261  142.518   3.9204  134.713   4.0458 7.805237 5.633626 
1 1 1   16    5   15 o   46.145   6.2135   16.473   4.1662   18.754   6.0623   14.431   5.7351   48.531   8.6977   42.261   9.3497 6.270321 12.76971 
1 1 1   16    5   16 o   14.330   6.8280  -4.9158   4.0307  -7.2359   8.9389  -4.3237   4.5158   22.525   10.560   15.912   7.4744 6.613306 12.93763 
1 1 1   16    5   17 o   71.502   3.5327   38.672   3.7661   41.355   6.3856   37.241   4.6636   72.779   5.9364   69.716   4.5108 3.063187 7.455746 
1 1 1   16    5   18 o   86.426   3.0123   56.502   3.8816   60.332   6.1711   53.994   4.9930   88.280   4.7054   84.031   3.9852 4.249397 6.166278 
1 1 1   16    6    0 o  374.850   3.1765  1048.12   17.751  1048.12   17.751  1048.12   17.751  374.850   3.1765  374.850   3.1765 0.000000 0.000000 
1 1 1   16    6    1 o  162.250   2.0263  196.319   4.9019  198.821   6.4565  192.915   7.5317  163.260   2.6525  160.798   3.1415 2.462540 4.111551 
1 1 1   16    6    2 o   48.883   4.2321   17.976   3.0540   19.067   3.4049   13.481   6.9078   50.319   4.5889   41.561   10.982 8.757378 11.90252 
1 1 1   16    6    3 o   98.222   3.1138   71.989   4.5601   80.877   9.3874   69.244   5.2170  103.792   6.0928   96.314   3.6329 7.477829 7.093713 
1 1 1   16    6    4 o   90.417   2.6318   60.991   3.5479   58.353   4.5702   64.992   5.6287   88.415   3.4668   93.288   4.0468 -4.872047 5.328742 
1 1 1   16    6    5 o  246.435   1.8331  452.926   6.7354  454.242   10.324  451.950   8.8875  246.724   2.8064  246.131   2.4218 0.5926971 3.706920 
1 1 1   16    6    6 o  306.012   1.9556  698.479   8.9227  699.441   13.656  697.762   11.787  306.110   2.9921  305.792   2.5852 0.3180542 3.954201 
1 1 1   16    6    7 o  155.000   1.9596  179.215   4.5287  181.808   7.0152  177.363   5.9299  156.050   3.0151  154.161   2.5799 1.888840 3.968236 
1 1 1   16    6    8 o  113.806   2.7003   96.685   4.5818  125.975   12.967   92.506   4.8978  129.275   6.7508  111.305   2.9513 17.96982 7.367698 
1 1 1   16    6    9 o  105.246   2.3797   82.675   3.7342   82.162   5.7474   83.050   4.9122  104.831   3.6772  105.438   3.1247 -0.6067734 4.825468 
1 1 1   16    6   10 o   29.078   7.4410   6.6304   3.2394   9.9163   4.4444   2.9065   4.7314   35.464   8.5132   24.042   9.2923 11.42168 12.60246 
1 1 1   16    6   11 o  217.612   2.2175  353.505   7.1947  359.669   12.719  350.604   8.7247  219.193   3.8918  216.646   2.7010 2.546066 4.737257 
1 1 1   16    6   12 o  140.788   2.5672  148.061   5.3889  151.626   9.9978  146.600   6.3979  142.135   4.7177  140.032   3.0643 2.102982 5.625570 
1 1 1   16    6   13 o  142.557   2.9546  151.963   6.2800  161.905   10.659  146.677   7.7723  146.764   4.8709  139.930   3.7254 6.833984 6.132212 
1 1 1   16    6   14 o   67.389   4.3024   34.270   4.3003   38.741   6.1821   30.078   5.9857   71.312   5.8664   62.612   6.5070 8.700191 8.761083 
1 1 1   16    6   15 o   65.640   3.9668   32.550   3.8640   22.509   5.8175   40.477   5.1688   53.558   7.4901   73.019   4.7740 -19.46097 8.882140 
1 1 1   16    6   16 o   46.102   5.7788   16.565   3.8849   17.342   7.4725   16.277   4.5478   44.867   11.204   45.265   6.9616 -0.3976746 13.19082 
1 1 1   16    6   17 o   67.758   4.0153   35.078   4.0384   33.270   7.3451   35.862   4.8346   63.844   7.8837   68.168   4.7871 -4.323917 9.223302 
1 1 1   16    6   18 o   40.089   5.4548   12.820   3.1758   13.005   5.0868   12.701   4.0654   38.372   9.0398   38.971   7.2639 -0.5985451 11.59666 
1 1 1   16    7    0 o   37.525   5.5174   11.170   2.8913   11.170   2.8913   11.170   2.8913   37.525   5.5174   37.525   5.5174 0.000000 0.000000 
1 1 1   16    7    1 o  111.877   2.1668   93.355   3.6143  100.554   4.8418   84.296   5.4317  116.091   2.7973  106.271   3.4281 9.820702 4.424561 
1 1 1   16    7    2 o  283.665   2.7349  600.361   11.567  596.539   13.239  612.692   23.778  282.724   3.1407  286.190   5.5726 -3.466766 6.396696 
1 1 1   16    7    3 o  157.603   1.8398  185.244   4.3232  185.027   6.2825  185.439   5.9584  157.475   2.6758  157.657   2.5348 -0.1822968 3.685780 
1 1 1   16    7    4 o  205.109   1.7748  313.755   5.4275  315.796   8.2972  312.230   7.1755  205.719   2.7051  204.578   2.3525 1.140793 3.584963 
1 1 1   16    7    5 o   22.795   6.3380   4.0099   2.2321   6.1616   3.3567   2.3043   2.9885   28.188   7.7472   20.061   7.4686 8.127600 10.76100 
1 1 1   16    7    6 o  106.322   2.1154   84.335   3.3534   79.751   5.1054   87.813   4.4472  103.336   3.3137  108.464   2.7500 -5.127975 4.306143 
1 1 1   16    7    7 o  108.198   2.4692   87.372   3.9833   82.723   6.5561   90.093   5.0152  105.169   4.1811  109.836   3.0624 -4.667465 5.182648 
1 1 1   16    7    8 o   68.229   3.5052   34.884   3.5538   34.258   6.6233   35.138   4.2113   67.149   6.7052   68.406   4.1486 -1.257210 7.884861 
1 1 1   16    7    9 f  190.267   2.1903  270.185   6.2136  265.190   8.7451  275.279   8.8303  188.390   3.1134  191.944   3.0855 -3.554123 4.383359 
1 1 1   16    7   10 o  154.178   2.5704  177.526   5.9087  169.254   7.4478  191.575   9.7060  150.454   3.3201  159.948   4.0700 -9.494171 5.252437 
1 1 1   16    7   11 o  141.545   2.3055  149.596   4.8656  156.837   7.6620  144.704   6.2986  144.772   3.5497  139.130   3.0364 5.642273 4.671154 
1 1 1   16    7   12 f   59.868   4.1112   26.993   3.6475   28.559   5.8387   25.991   4.6712   61.140   6.5050   58.522   5.4149 2.617916 8.463831 
1 1 1   16    7   13 o   79.050   4.0108   46.998   4.7117   48.685   6.4466   45.063   6.9034   80.171   5.4251   76.964   6.0651 3.207390 8.137412 
1 1 1   16    7   14 f   75.732   4.0596   43.244   4.5672   37.611   6.3875   49.135   6.5329   70.081   6.1762   80.380   5.4839 -10.29848 8.259445 
1 1 1   16    7   15 o   43.626   5.9774   14.811   3.7858   9.7057   6.5999   17.314   4.6217   34.603   11.206   46.960   6.7988 -12.35732 13.10676 
1 1 1   16    7   16 o  107.873   3.0890   87.658   4.9682   83.228   9.1840   89.490   5.9071  103.498   5.9770  108.775   3.6423 -5.276993 6.999378 
1 1 1   16    7   17 o   17.010   7.4491  -0.2413   3.6041  -3.1028   6.4063   1.0838   4.3594   20.004   9.2276   20.011   8.4675 -0.6875992E-02 12.52385 
1 1 1   16    7   18 o   49.546   5.0819   19.445   3.7009   23.384   6.7059   17.720   4.4380   51.366   9.0887   46.366   6.6065 4.999298 11.23614 
1 1 1   16    8    0 o   28.789   5.5506   6.8329   2.1271   6.8329   2.1271   6.8329   2.1271   28.789   5.5506   28.789   5.5506 0.000000 0.000000 
1 1 1   16    8    1 o   94.881   1.7252   67.137   2.4406   66.805   3.6658   67.402   3.2709   94.622   2.5984   95.053   2.3080 -0.4311371 3.475407 
1 1 1   16    8    2 o   96.478   2.0819   69.431   2.9948   71.215   3.9682   67.071   4.5648   97.689   2.7244   94.785   3.2301 2.904442 4.225613 
1 1 1   16    8    3 f  105.650   1.9283   83.256   3.0374   85.075   4.5583   81.803   4.0736  106.763   2.8636  104.701   2.6095 2.062424 3.874222 
1 1 1   16    8    4 o   23.417   6.1244   4.2628   2.1626   2.4822   3.1761   5.8019   2.9529   20.728   7.7030   27.294   7.1651 -6.566006 10.52019 
1 1 1   16    8    5 o   69.333   2.6324   35.879   2.7212   33.843   4.1324   37.438   3.6158   67.150   4.1478   70.794   3.4256 -3.643295 5.379499 
1 1 1   16    8    6 o  151.110   2.3679  170.409   5.3350  178.801   7.8047  163.049   7.3092  154.701   3.3837  147.735   3.3183 6.965546 4.739296 
1 1 1   16    8    7 o  209.557   1.8991  327.624   5.9336  313.719   8.9231  338.646   7.9445  204.955   2.9200  212.993   2.5017 -8.037781 3.845126 
1 1 1   16    8    8 o   56.052   4.2088   23.651   3.4917   19.007   8.3234   24.643   3.8465   48.781   11.612   57.177   4.5498 -8.396088 12.47116 
1 1 1   16    8    9 o   96.749   3.2109   69.973   4.6318   64.514   6.2079   76.828   6.9565   92.778   4.4878  101.230   4.6090 -8.452766 6.432999 
1 1 1   16    8   10 o   43.632   5.0998   14.492   3.2550   15.055   5.4615   14.182   4.0536   43.724   8.6839   42.871   6.5495 0.8526802 10.87687 
1 1 1   16    8   11 o   80.437   3.1531   48.389   3.7815   41.991   5.7132   53.377   5.0447   74.554   5.1716   84.397   4.0090 -9.842995 6.543531 
1 1 1   16    8   12 o  134.659   2.7851  135.563   5.5917  133.630   9.3747  136.631   6.9667  133.343   4.7154  135.084   3.4590 -1.740906 5.848032 
1 1 1   16    8   13 o  105.410   3.3777   83.264   5.3086   81.785   6.9886   85.282   8.1621  104.261   4.4957  106.315   5.1492 -2.053940 6.835603 
1 1 1   16    8   14 o  116.351   2.9963  101.482   5.1979  103.110   7.5186   99.992   7.1940  116.935   4.3124  115.190   4.1887 1.744568 6.011867 
1 1 1   16    8   15 o   18.674   8.2666  -0.9750   4.5515   27.156   9.9311  -8.4548   5.1210   55.879   12.257   14.843   7.2249 41.03632 14.22800 
1 1 1   16    8   16 o   29.842   8.0284   7.4408   3.6504   3.6992   6.2946   9.3367   4.4807   25.885   10.487   33.139   8.8862 -7.253559 13.74529 
1 1 1   16    8   17 o   39.631   7.7522   13.262   4.4166   10.970   6.2828   15.501   6.2100   34.408   10.911   41.320   10.153 -6.911503 14.90414 
1 1 1   16    8   18 o   42.669   6.8044   15.305   4.1834   17.366   6.8686   14.089   5.2746   41.952   10.887   39.126   9.1970 2.826580 14.25157 
1 1 1   16    9    0 o   86.841   9.1523   58.370   11.549   58.370   11.549   58.370   11.549   86.841   9.1523   86.841   9.1523 0.000000 0.000000 
1 1 1   16    9    1 o   30.535   3.6231   7.0626   1.6173   3.4662   8.6888   7.1917   1.6461   30.714   12.363   30.812   3.6543 -0.9781075E-01 12.89206 
1 1 1   16    9    2 o  111.180   2.6816   92.258   4.4451   97.846   8.6775   90.270   5.1758  114.321   5.0909  109.950   3.1573 4.370789 5.990493 
1 1 1   16    9    3 o   47.557   3.2608   16.971   2.2981   17.841   2.9622   15.655   3.6423   48.676   4.1203   45.381   5.4952 3.294865 6.868314 
1 1 1   16    9    4 o   77.211   3.1027   44.522   3.5718   0.0000   0.0000   44.522   3.5718  ?   ?    77.211   3.1027 0.000000 3.102702 
1 1 1   16    9    5 o   74.957   2.9555   41.958   3.3030   43.927   4.7736   40.150   4.5751   76.513   4.2005   73.137   4.2134 3.375587 5.949555 
1 1 1   16    9    6 o  255.456   2.2259  487.014   8.4780  488.630   10.969  484.615   13.360  255.787   2.8763  254.620   3.5193 1.167114 4.545187 
1 1 1   16    9    7 o  117.687   2.1063  103.362   3.6958   92.455   5.5414  112.100   4.9601  111.215   3.3419  122.517   2.7153 -11.30273 4.305929 
1 1 1   16    9    8 o  105.564   2.3304   83.197   3.6680   91.216   5.7558   77.713   4.7596  110.434   3.4957  101.966   3.1307 8.467880 4.692687 
1 1 1   16    9    9 o   96.284   2.8381   69.277   4.0743   63.830   5.5109   75.844   6.0508   92.312   4.0040  100.622   4.0332 -8.309639 5.683185 
1 1 1   16    9   10 o   37.375   5.9764   10.788   3.2181   10.270   5.1973   11.110   4.0982   35.950   9.5388   37.611   7.5702 -1.661278 12.17767 
1 1 1   16    9   11 o  165.206   2.2659  203.836   5.5813  193.513   8.5940  211.366   7.3399  160.748   3.5857  168.127   2.9281 -7.378860 4.629391 
1 1 1   16    9   12 o   39.066   6.6470   11.893   3.7330   26.217   7.1127   6.4468   4.3856   57.875   8.4956   28.985   9.1070 28.89045 12.45440 
1 1 1   16    9   13 o  112.178   3.3212   94.373   5.5548   95.010   9.0758   93.991   7.0241  111.998   5.4351  111.747   4.2158 0.2506485 6.878432 
1 1 1   16    9   14 o   94.600   3.6735   67.390   5.1813   63.069   8.1993   70.262   6.6852   90.532   6.1101   96.303   4.6559 -5.770470 7.681882 
1 1 1   16    9   15 f   77.179   4.0886   45.333   4.6881   37.118   10.366   47.446   5.2563   65.845   10.943   78.795   4.4928 -12.94998 11.82937 
1 1 1   16    9   16 o   60.820   4.8238   28.705   4.3384   22.697   10.178   30.039   4.7959   47.799   13.621   62.011   5.2361 -14.21235 14.59235 
1 1 1   16    9   17 o   16.093   7.3080  -1.3680   3.8139   4.7633   6.5583  -4.5012   4.6882   26.190   10.669   15.594   7.4114 10.59626 12.99067 
1 1 1   16   10    0 o   31.687   15.062   11.151   8.1117   11.151   8.1117   11.151   8.1117   31.687   15.062   31.687   15.062 0.000000 0.000000 
1 1 1   16   10    1 o  242.210   2.9950  438.090   10.816  424.385   14.637  454.578   16.054  238.211   4.1211  246.490   4.3682 -8.279251 6.005377 
1 1 1   16   10    2 o  139.925   2.3663  146.117   4.9366  126.727   9.1004  154.202   5.8763  130.103   4.6914  143.717   2.7424 -13.61421 5.434172 
1 1 1   16   10    3 o   77.132   2.9561   44.430   3.3995   54.668   7.2154   41.509   3.8541   85.164   5.7156   74.528   3.4684 10.63596 6.685637 
1 1 1   16   10    4 o  107.964   2.4106   87.005   3.8805   89.068   12.136   86.770   4.0955  108.388   7.5567  107.811   2.5479 0.5776062 7.974662 
1 1 1   16   10    5 f   65.942   3.7167   32.622   3.6393   25.666   6.3838   35.971   4.4295   57.818   7.5886   69.182   4.3158 -11.36394 8.730025 
1 1 1   16   10    6 o   43.439   4.4985   14.288   2.8713   16.781   6.2495   13.620   3.2326   46.140   9.4034   42.282   5.2401 3.858124 10.76490 
1 1 1   16   10    7 o   60.718   3.4904   27.666   3.1466   32.372   6.3537   26.137   3.6219   65.178   6.6304   58.928   4.1488 6.249966 7.821450 
1 1 1   16   10    8 o   38.270   5.7107   11.261   3.1588   14.468   6.3836   10.221   3.6350   42.568   10.193   36.169   6.9936 6.399315 12.36140 
1 1 1   16   10    9 o   97.446   3.2917   71.042   4.7825   76.979   8.1617   67.938   5.9019  100.984   5.4408   95.192   4.1583 5.791328 6.847938 
1 1 1   16   10   10 o   77.348   4.1503   45.000   4.7688   48.020   7.9509   43.302   5.9598   79.338   6.7867   75.655   5.3173 3.683060 8.621679 
1 1 1   16   10   11 o  103.205   3.3915   79.772   5.2187   73.508   13.217   80.929   5.6802   97.257   9.2252  103.910   3.6663 -6.653755 9.927067 
1 1 1   16   10   12 o   24.053   8.6638   3.8441   3.9694   1.9572   6.7865   4.8252   4.8937   25.929   10.738   26.723   9.6205 -0.7938919 14.41751 
1 1 1   16   10   13 o  109.970   5.6562   92.282   9.2428   92.282   9.2428   0.0000   0.0000  109.970   5.6562  ?   ?  0.000000 5.656245 
1 1 1   16   10   14 o   20.637   8.1069   2.2034   3.6476   16.256   7.0171  -2.9997   4.2698   43.591   10.842   16.253   7.5101 27.33780 13.18883 
1 1 1   16   10   15 o   81.658   3.5674   50.544   4.3433   45.206   8.1165   52.686   5.1414   74.958   7.3573   83.128   4.1482 -8.170898 8.446131 
1 1 1   16   10   16 o   29.242   8.6502   7.4259   4.0358   17.014   6.9771   2.6051   4.9475   42.715   10.915   22.468   9.2226 20.24745 14.28952 
1 1 1   16   10   17 o   55.136   5.4726   24.447   4.4394   22.543   7.0229   25.715   5.7292   49.115   9.9318   55.225   7.1241 -6.110744 12.22264 
1 1 1   16   11    0 o   27.071   16.483   5.2425   12.493   5.2425   12.493   5.2425   12.493   27.071   16.483   27.071   16.483 0.000000 0.000000 
1 1 1   16   11    1 f   45.289   11.639   16.337   7.9022   11.406   10.536   22.676   11.947   40.288   14.156   53.048   14.631 -12.76022 20.35819 
1 1 1   16   11    2 o  129.937   2.6625  126.069   5.1582  118.385   14.628  127.160   5.5124  124.895   7.8960  130.485   2.8334 -5.589417 8.388937 
1 1 1   16   11    3 o  189.167   3.0905  267.370   8.7166   0.0000   0.0000  267.370   8.7166  ?   ?   189.167   3.0905 0.000000 3.090528 
1 1 1   16   11    4 o   45.089   3.9321   15.329   2.6170   19.580   6.0788   14.362   2.8994   50.160   8.4270   43.548   4.5319 6.611515 9.568286 
1 1 1   16   11    5 o  121.549   3.5385  110.508   6.4127  108.179   8.4372  113.694   9.8676  120.107   4.7115  123.020   5.3798 -2.913605 7.151268 
1 1 1   16   11    6 o   90.135   3.3081   60.757   4.4457   58.607   7.3230   62.012   5.5947   88.093   5.6045   90.981   4.1244 -2.888397 6.958533 
1 1 1   16   11    7 o   33.268   6.6393   8.6515   3.1778   10.750   6.0631   7.8566   3.7314   36.856   10.516   31.548   7.9391 5.307817 13.17664 
1 1 1   16   11    8 o  192.936   2.5444  278.111   7.3193  300.411   12.536  266.578   9.0153  200.146   4.2011  188.773   3.2031 11.37260 5.282872 
1 1 1   16   11    9 o  103.768   3.5321   80.635   5.4647   80.476   11.329   80.683   6.2384  102.618   7.4555  103.728   4.0337 -1.109787 8.476765 
1 1 1   16   11   10 o  113.237   3.6524   96.100   6.1664  106.789   14.194   93.613   6.8462  117.887   8.1252  111.684   4.1114 6.203209 9.106196 
1 1 1   16   11   11 o   46.801   5.7016   16.812   3.8964   13.291   7.5123   18.108   4.5573   40.411   11.759   48.405   6.4770 -7.993912 13.42455 
1 1 1   16   11   12 o   53.902   5.1075   22.187   4.0557   27.582   7.8110   20.196   4.7456   58.741   9.2224   51.062   6.3721 7.679081 11.20966 
1 1 1   16   11   13 o  172.694   2.8099  223.761   7.2350  223.105   11.932  224.142   9.0985  171.479   4.6668  172.519   3.5372 -1.039810 5.855864 
1 1 1   16   11   14 o   28.510   8.0336   6.7106   3.5612  -6.9733   6.5153   12.541   4.2527   18.229   8.6846   39.187   7.5525 -20.95830 11.50923 
1 1 1   16   11   15 f   55.903   5.1783   24.465   4.2671   6.1575   10.905   27.775   4.6368   31.335   13.331   59.537   5.2783 -28.20175 14.33831 
1 1 1   16   11   16 o   43.722   5.8942   15.490   3.7444   10.564   6.7371   17.691   4.5041   33.039   11.336   46.236   6.7312 -13.19727 13.18398 
1 1 1   16   12    0 o  124.952   5.3137  117.368   9.8588  117.368   9.8588  117.368   9.8588  124.952   5.3137  124.952   5.3137 0.000000 0.000000 
1 1 1   16   12    1 o  108.744   4.1030   88.542   6.6523   94.467   9.2273   82.130   9.5993  112.126   5.5195  104.262   6.2031 7.863953 8.303232 
1 1 1   16   12    2 o  183.391   3.2058  251.408   8.7655  256.297   11.827  245.450   13.057  184.966   4.2885  180.889   4.8413 4.077164 6.467551 
1 1 1   16   12    3 f   82.478   2.8497   50.826   3.5044   46.637   7.5967   51.958   3.9497   78.365   6.5623   83.369   3.1775 -5.004288 7.291090 
1 1 1   16   12    4 o  209.234   1.9940  326.745   6.2206  316.775   12.782  329.838   7.1207  205.618   4.1695  210.186   2.2722 -4.568756 4.748423 
1 1 1   16   12    5 o   93.859   2.4253   65.793   3.3941   64.642   7.5912   66.081   3.7945   92.522   5.5282   94.043   2.7061 -1.521065 6.155035 
1 1 1   16   12    6 f   14.647   6.3617  -0.3899   2.5825   9.9036   6.0882  -2.6485   2.8518   35.536   10.650   12.945   6.0345 22.59114 12.24104 
1 1 1   16   12    7 o   67.912   3.4519   34.614   3.4837   41.229   7.2393   32.620   3.9742   73.504   6.6786   65.834   4.0687 7.669670 7.820364 
1 1 1   16   12    8 o   49.681   4.8575   18.735   3.5521   8.7466   9.0396   20.558   3.8628   35.830   13.049   52.030   5.0426 -16.20003 13.98939 
1 1 1   16   12    9 o   63.750   4.6395   30.718   4.3796   26.062   7.2294   33.418   5.5047   57.675   8.6757   66.302   5.6214 -8.626736 10.33771 
1 1 1   16   12   10 o   62.455   4.1098   29.431   3.8056   28.478   7.5056   29.761   4.4153   60.235   8.6015   62.679   4.7602 -2.443398 9.830876 
1 1 1   16   12   11 o   51.811   5.0394   20.486   3.8436   26.216   7.6592   18.558   4.4437   57.274   9.2872   48.985   6.2248 8.289429 11.18036 
1 1 1   16   12   12 f   85.086   3.6517   54.511   4.6326   61.739   8.1929   51.114   5.6167   89.537   6.1749   82.028   4.6112 7.508636 7.706662 
1 1 1   16   12   13 o  144.711   2.9282  157.498   6.3179  165.735   10.673  153.055   7.8390  147.316   4.8590  142.285   3.6952 5.030899 6.104441 
1 1 1   16   12   14 o   19.536   7.8578   1.8432   3.5070   5.4449   8.9300   1.1864   3.8134   29.781   12.325   19.203   8.0090 10.57847 14.69826 
1 1 1   16   12   15 o   89.714   3.2950   61.231   4.4075   56.345   7.7921   63.529   5.3446   83.683   6.2912   90.991   3.9396 -7.307228 7.422940 
1 1 1   16   12   16 o   14.207   6.6920  -2.9972   3.6643  -3.8746   5.9756  -2.4684   4.6389   18.064   8.5200   16.655   7.7414 1.408943 11.51170 
1 1 1   16   13    0 o   25.510   14.683   6.3650   8.9531   6.3650   8.9531   6.3650   8.9531   25.510   14.683   25.510   14.683 0.000000 0.000000 
1 1 1   16   13    1 o  128.067   3.9010  122.837   7.4488  108.253   10.050  140.615   11.096  119.927   5.6206  136.723   5.4431 -16.79627 7.824203 
1 1 1   16   13    2 o   73.252   5.8095   40.667   6.2929   33.639   8.1828   50.841   9.8449   65.922   8.5250   81.339   8.2311 -15.41672 11.85016 
1 1 1   16   13    3 o   68.856   3.0169   35.449   3.0973   25.447   7.2364   37.692   3.4270   57.109   8.7797   70.986   3.2380 -13.87665 9.357789 
1 1 1   16   13    4 o  143.045   3.3193  153.107   7.0793   0.0000   0.0000  153.107   7.0793  ?   ?   143.045   3.3193 0.000000 3.319311 
1 1 1   16   13    5 o   48.657   5.0698   17.997   3.6240   19.340   6.8337   17.472   4.2745   49.351   9.6330   47.715   6.1517 1.636154 11.42971 
1 1 1   16   13    6 f   57.441   3.5469   24.805   3.0228   25.162   6.7035   24.714   3.3867   56.870   8.1379   57.272   3.9911 -0.4023666 9.063914 
1 1 1   16   13    7 o   55.492   5.1469   23.386   4.2099   24.154   7.3949   23.018   5.1208   55.316   9.2960   54.777   6.3900 0.5385284 11.28042 
1 1 1   16   13    8 o   67.128   3.8974   33.919   3.8839   34.809   10.564   33.780   4.1765   65.864   11.156   66.937   4.2062 -1.072830 11.92213 
1 1 1   16   13    9 o   54.998   4.4862   22.911   3.6467   28.769   7.2542   20.930   4.2185   60.657   8.2340   52.341   5.4872 8.315708 9.894871 
1 1 1   16   13   10 o   41.312   5.9456   13.227   3.5568   18.996   7.2616   11.406   4.0796   48.198   10.409   37.906   7.4841 10.29262 12.82056 
1 1 1   16   13   11 o   34.059   7.6992   9.3458   3.8179   9.7470   7.1703   9.1871   4.5104   34.923   11.697   33.562   8.8771 1.360584 14.68392 
1 1 1   16   13   12 o   22.023   8.0640   3.2587   3.4589   10.655   6.9363   0.8108   3.9905   35.539   11.485   19.383   8.1459 16.15552 14.08086 
1 1 1   16   13   13 o   34.073   7.9109   9.6912   3.9417   2.9632   6.2601   14.111   5.0738   25.037   10.337   40.949   8.5847 -15.91168 13.43664 
1 1 1   16   13   14 o   87.355   3.6063   58.183   4.6970   56.757   11.518   58.467   5.1442   80.449   9.8056   87.375   3.9488 -6.925323 10.57081 
1 1 1   16   13   15 o   56.290   4.4366   24.804   3.6934   17.700   6.4551   28.261   4.5033   43.291   10.173   59.651   5.1128 -16.36003 11.38557 
1 1 1   16   14    0 o  158.988   5.2666  189.786   12.453  189.786   12.453  189.786   12.453  158.988   5.2666  158.988   5.2666 0.000000 0.000000 
1 1 1   16   14    1 o  131.430   3.9096  129.473   7.6613  124.865   10.590  134.533   11.098  128.725   5.5175  133.602   5.5712 -4.876892 7.840971 
1 1 1   16   14    2 o   89.799   5.0695   60.859   6.7597   56.458   8.6101   67.930   10.914   86.065   6.7643   94.113   7.8494 -8.048607 10.36190 
1 1 1   16   14    3 o   85.898   2.7216   55.156   3.4856   39.971   8.0214   58.690   3.8700   72.091   7.5761   88.588   2.9300 -16.49653 8.122930 
1 1 1   16   14    4 o  119.713   2.6812  107.132   4.7856   98.505   8.8772  110.666   5.6820  114.358   5.2064  121.611   3.1337 -7.252594 6.076734 
1 1 1   16   14    5 o   73.678   2.8013   40.595   3.0773   42.381   7.8165   40.267   3.3477   74.327   7.1413   73.358   3.0607 0.9686966 7.769559 
1 1 1   16   14    6 o  119.462   2.4551  106.655   4.3729   99.474   8.8818  108.952   5.0240  114.876   5.1856  120.698   2.7918 -5.821541 5.889349 
1 1 1   16   14    7 o   76.290   3.3842   43.608   3.8494   54.944   11.126   42.067   4.1028   83.917   9.0345   74.896   3.6741 9.021294 9.753041 
1 1 1   16   14    8 o  129.341   2.5250  125.106   4.8693  103.522   9.0520  133.895   5.7762  117.067   5.1861  133.741   2.8968 -16.67422 5.940259 
1 1 1   16   14    9 o   22.500   7.9113   3.5061   3.2909   2.0962   6.9018   3.9210   3.7440   26.111   10.823   23.825   8.4319 2.285854 13.71960 
1 1 1   16   14   10 o   67.589   3.8411   34.522   3.8549   31.888   7.5873   35.438   4.4755   63.445   8.2136   68.337   4.4162 -4.891251 9.325601 
1 1 1   16   14   11 o   51.712   5.7152   20.760   4.3329   19.741   7.0955   21.365   5.4714   48.485   10.141   51.856   7.2771 -3.371391 12.48217 
1 1 1   16   14   12 o   14.517   6.6618  -1.9972   3.2797  -2.4653   6.6211  -1.8451   3.7755   21.064   9.5897   15.914   7.2436 5.150054 12.01798 
1 1 1   16   14   13 o   32.713   8.1199   9.1565   3.9418   3.4612   6.4556   12.542   4.9775   25.305   10.476   37.943   8.9445 -12.63845 13.77496 
1 1 1   16   14   14 o   45.646   5.4543   16.697   3.6385   10.359   6.6768   19.374   4.3394   32.708   11.282   48.804   6.0966 -16.09613 12.82360 
1 1 1   16   14   15 o   27.557   8.2545   6.9374   3.6579  -0.3598   6.6373   10.121   4.3837   21.022   9.5827   32.915   8.7733 -11.89230 12.99223 
1 1 1   16   15    0 f   21.410   13.529   1.7326   9.2298   1.7326   9.2298   1.7326   9.2298   21.410   13.529   21.410   13.529 0.000000 0.000000 
1 1 1   16   15    1 o   50.318   8.6282   19.941   6.2402   4.3784   8.4061   39.043   9.3134   30.638   12.220   70.691   9.0437 -40.05228 15.20279 
1 1 1   16   15    2 o  131.134   4.1023  129.081   8.0208  133.190   10.461  123.222   12.494  132.906   5.2792  127.268   6.6069 5.638382 8.457024 
1 1 1   16   15    3 o   21.305   9.4685  -1.8314   6.0289  -4.7689   7.3464   4.2274   10.551   21.696   9.9615   32.977   13.494 -11.28127 16.77280 
1 1 1   16   15    4 o  113.566   2.7441   96.458   4.6465   85.825   9.1418  100.162   5.3954  106.383   5.7853  115.670   3.1285 -9.286598 6.577000 
1 1 1   16   15    5 o   50.391   3.4452   19.118   2.5729   10.991   7.0794   20.354   2.7618   37.203   11.551   51.982   3.5853 -14.77953 12.09504 
1 1 1   16   15    6 o   75.190   3.0237   42.330   3.3898   36.559   10.750   42.967   3.5720   67.349   11.091   75.738   3.1632 -8.388626 11.53372 
1 1 1   16   15    7 o  141.609   2.3621  149.933   4.9872  145.135   10.237  151.426   5.7106  138.636   4.9527  142.250   2.6925 -3.614349 5.637272 
1 1 1   16   15    8 o   27.009   7.5939   5.7905   3.1857  -0.2040   6.7658   7.4981   3.6111   23.773   10.311   30.573   7.8741 -6.799913 12.97374 
1 1 1   16   15    9 o   48.601   5.0096   18.111   3.5780   3.9362   7.0644   23.001   4.1496   27.919   11.180   54.792   5.1395 -26.87269 12.30451 
1 1 1   16   15   10 o   92.196   3.3223   64.012   4.5669   74.907   8.6594   59.814   5.3752   98.499   5.9239   88.903   4.0552 9.596817 7.178940 
1 1 1   16   15   11 o   40.938   8.7797   14.075   5.1981   20.645   7.0006   6.0019   7.7605   49.138   9.8976   29.841   11.792 19.29729 15.39536 
1 1 1   16   15   12 o   37.897   6.4322   11.664   3.5045   9.9465   6.8667   12.269   4.0752   33.207   11.442   38.422   7.3820 -5.215401 13.61641 
1 1 1   16   15   13 o   18.814   8.1379   0.5931   4.1913 -14.3264   8.9644   4.7670   4.7415   18.405   9.0795   24.756   9.3675 -6.351255 13.04559 
1 1 1   16   15   14 o   17.203   7.4128   0.6415   3.4511   5.9285   6.5160  -1.4198   4.0686   26.538   10.698   16.318   7.4631 10.22015 13.04397 
1 1 1   16   16    0 o   26.947   14.952   7.8304   8.8475   7.8304   8.8475   7.8304   8.8475   26.947   14.952   26.947   14.952 0.000000 0.000000 
1 1 1   16   16    1 o  119.600   4.4927  107.617   8.0113  116.980   11.133   97.563   11.537  124.247   6.0098  112.989   6.8813 11.25826 9.136126 
1 1 1   16   16    2 o   99.713   4.9711   74.968   7.3905   76.693   9.4541   72.258   11.851  100.306   6.3544   96.599   8.3089 3.706711 10.46023 
1 1 1   16   16    3 o   34.482   10.976   9.3095   6.3534   14.101   8.1183   1.7367   10.206   41.553   12.262   30.481   12.930 11.07198 17.81966 
1 1 1   16   16    4 o   65.338   3.6635   32.135   3.5545   30.778   7.8931   32.480   3.9810   62.566   8.6966   65.612   4.0898 -3.046230 9.610283 
1 1 1   16   16    5 o  111.558   3.5504   93.394   5.9054   0.0000   0.0000   93.394   5.9054  ?   ?   111.558   3.5504 0.000000 3.550443 
1 1 1   16   16    6 o   63.623   3.2028   30.432   3.0285   19.235   7.7881   32.426   3.2872   48.251   11.062   65.652   3.3696 -17.40068 11.56366 
1 1 1   16   16    7 o   44.054   4.5950   14.822   2.9737   15.112   7.1717   14.761   3.2678   42.525   11.168   43.844   5.0939 -1.319733 12.27475 
1 1 1   16   16    8 o   45.717   4.9030   16.043   3.2899   16.682   7.3689   15.884   3.6766   44.384   11.150   45.303   5.5599 -0.9194946 12.45928 
1 1 1   16   16    9 o   52.374   4.7143   21.041   3.6419   26.448   7.1107   19.118   4.2402   57.066   8.6265   49.525   5.8558 7.540977 10.42623 
1 1 1   16   16   10 f   71.069   3.7116   38.388   3.9193   27.455   7.7602   42.132   4.5410   57.127   9.4406   74.303   4.1150 -17.17553 10.29847 
1 1 1   16   16   11 o   38.208   7.1820   12.070   3.9412   9.9324   6.8586   13.124   4.8157   33.205   11.435   39.175   8.4899 -5.969986 14.24236 
1 1 1   16   16   12 o   51.384   5.0570   20.863   3.8241   14.980   9.0605   22.138   4.2182   37.734   13.135   52.711   5.4458 -14.97707 14.21905 
1 1 1   16   16   13 o   18.917   8.4074   0.0587   4.7538   0.0000   0.0000   0.0587   4.7538  ?   ?    18.917   8.4074 0.000000 8.407388 
1 1 1   16   16   14 o   31.211   8.1897   9.1162   3.8589   4.9366   7.0712   10.889   4.6051   24.972   10.682   33.459   9.0241 -8.486610 13.98384 
1 1 1   16   17    0 o   93.747   8.2278   67.877   11.297   67.877   11.297   67.877   11.297   93.747   8.2278   93.747   8.2278 0.000000 0.000000 
1 1 1   16   17    1 o   35.181   11.284   9.7809   6.7052   12.379   9.0098   6.5550   10.039   39.422   13.110   34.077   13.429 5.345116 18.76707 
1 1 1   16   17    2 o  118.206   5.3680  105.805   9.4606   94.012   14.200  115.218   12.687  109.719   8.7530  122.519   6.9738 -12.79990 11.19144 
1 1 1   16   17    3 o   56.031   13.984   26.913   11.645   26.913   11.645   0.0000   0.0000   56.031   13.984  ?   ?  0.000000 13.98412 
1 1 1   16   17    4 o   63.691   4.0056   30.651   3.7845   42.146   12.117   29.409   3.9838   71.549   11.768   62.315   4.3143 9.234184 12.53357 
1 1 1   16   17    5 o  105.845   3.2994   84.118   5.2068   72.054   12.274   86.765   5.7498   95.618   8.7048  107.427   3.5898 -11.80931 9.415974 
1 1 1   16   17    6 o  130.679   2.2469  127.783   4.3778  110.768   9.4712  132.406   4.9368  120.661   5.2646  132.965   2.4902 -12.30435 5.823868 
1 1 1   16   17    7 o   45.557   4.3587   15.861   2.9245   15.665   6.8934   15.904   3.2295   42.952   10.781   45.492   4.8355 -2.539825 11.81549 
1 1 1   16   17    8 o   16.569   7.0385   0.3109   3.0311  -2.8970   6.3886   1.2428   3.4434   20.573   9.3870   18.787   7.7009 1.785633 12.14161 
1 1 1   16   17    9 o   44.765   5.2196   15.648   3.4183   15.942   6.5047   15.535   4.0178   42.657   10.336   44.171   6.2774 -1.513756 12.09288 
1 1 1   16   17   10 o   15.275   6.8203  -0.8292   3.1663  -8.2676   6.4886   1.4956   3.6275   17.215   8.3207   19.142   7.8819 -1.927504 11.46113 
1 1 1   16   17   11 o   76.048   3.6267   44.272   4.1121   50.011   10.229   43.165   4.4910   75.237   9.3180   74.757   4.0443 0.4798431 10.15783 
1 1 1   16   17   12 o   40.090   6.5105   13.480   3.7580   2.9507   8.8778   15.778   4.1479   25.696   11.451   43.344   6.6292 -17.64764 13.23113 
1 1 1   16   17   13 o   34.737   7.6359   10.900   3.8469   1.8200   6.5887   15.596   4.7385   22.143   9.8661   41.453   7.9561 -19.31025 12.67433 
1 1 1   16   18    0 f   26.054   15.384   6.4916   10.249   6.4916   10.249   6.4916   10.249   26.054   15.384   26.054   15.384 0.000000 0.000000 
1 1 1   16   18    1 o   83.004   7.3477   53.573   8.9992   51.129   10.750   59.298   16.454   80.178   9.1564   83.426   13.704 -3.247787 16.48158 
1 1 1   16   18    2 o   20.538   9.9005 -12.2902   9.0376  -6.1817   11.687 -21.3789   14.255   27.100   12.487   24.673   12.019 2.427063 17.33200 
1 1 1   16   18    3 o  131.833   5.0449  131.949   9.9162  121.337   15.101  139.994   13.148  124.368   8.1894  134.969   6.5338 -10.60120 10.47655 
1 1 1   16   18    4 o   51.853   10.803   22.504   8.0806   22.504   8.0806   0.0000   0.0000   51.853   10.803  ?   ?  0.000000 10.80260 
1 1 1   16   18    5 o   46.726   5.3762   16.883   3.6771   11.760   7.2992   18.625   4.2567   37.314   11.753   48.913   5.9601 -11.59933 13.17787 
1 1 1   16   18    6 o   19.560   7.1612   2.5128   2.7277  -5.7541   7.0637   3.9615   2.9570   20.019   9.3860   22.768   7.5075 -2.748257 12.01909 
1 1 1   16   18    7 o   68.748   3.1700   35.644   3.2493   22.358   7.3709   38.848   3.6201   51.237   10.008   71.714   3.3856 -20.47755 10.56489 
1 1 1   16   18    8 o   34.084   7.7127   9.7003   3.8280   11.134   6.5085   8.9421   4.7333   35.261   11.097   32.203   9.3232 3.058064 14.49353 
1 1 1   16   18    9 o   53.289   4.2675   21.965   3.3622   21.140   6.8171   22.230   3.8650   48.865   9.6992   53.300   4.9190 -4.435036 10.87529 
1 1 1   16   18   10 o   43.662   5.0947   15.160   3.2542   16.371   6.4284   14.743   3.7735   41.624   10.391   42.474   6.1365 -0.8505783 12.06747 
1 1 1   16   18   11 o   25.153   7.6796   5.5730   3.1441  -0.8756   6.1913   7.8138   3.6497   20.250   9.2401   29.447   8.0722 -9.196802 12.26945 
1 1 1   16   18   12 o   32.428   7.5310   9.5012   3.5714   11.037   9.0066   9.2146   3.8904   30.652   12.497   31.398   8.2155 -0.7462673 14.95531 
1 1 1   16   19    0 o   43.600   19.689   22.538   13.753   22.538   13.753   22.538   13.753   43.600   19.689   43.600   19.689 0.000000 0.000000 
1 1 1   16   19    1 o   23.611   10.491  -1.2498   7.3966   0.6078   11.724  -2.4780   9.5331   30.383   13.367   25.888   11.674 4.494761 17.74683 
1 1 1   16   19    2 o   46.504   10.298   18.227   6.9521   29.962   9.4091   4.1173   10.317   59.542   11.004   31.253   13.114 28.28916 17.11940 
1 1 1   16   19    3 o   34.614   10.833   10.070   6.2123   6.8707   8.0457   14.794   9.7760   31.512   12.135   40.908   13.658 -9.395636 18.26999 
1 1 1   16   19    4 o   43.657   4.5096   14.653   2.8931   8.6254   7.6843   15.649   3.1228   33.027   12.031   45.067   4.7174 -12.04007 12.92243 
1 1 1   16   19    5 o   15.468   6.9099  -1.0186   3.2543 -10.5057   7.3985   1.2572   3.6237   18.130   8.7922   19.090   7.8711 -0.9601421 11.80071 
1 1 1   16   19    6 o   37.847   4.6715   11.142   2.5801   13.415   7.2184   10.809   2.7626   38.420   11.615   37.113   5.1297 1.307491 12.69758 
1 1 1   16   19    7 o   53.449   3.6157   21.834   2.8645   15.970   7.0264   23.003   3.1370   41.570   11.120   54.773   3.8662 -13.20241 11.77250 
1 1 1   16   19    8 o   42.787   6.4396   14.968   3.9808   17.732   6.6563   13.429   4.9670   43.822   10.352   39.099   8.7400 4.723324 13.54827 
1 1 1   16   19    9 o   40.762   5.2506   13.334   3.1168   15.676   6.9397   12.742   3.4885   39.624   11.232   39.336   6.1494 0.2883720 12.80494 
1 1 1   16   19   10 o   25.206   7.8407   5.6597   3.2600  -1.0630   6.3424   8.0736   3.8004   20.201   9.2680   29.703   8.2742 -9.502106 12.42408 
1 1 1   16   19   11 o   42.518   5.7191   15.081   3.5336   7.0114   6.8850   17.966   4.1172   26.747   10.918   46.093   6.1440 -19.34529 12.52791 
1 1 1   16   20    0 o   15.172   10.560  -6.9117   8.5302  -6.9117   8.5302  -6.9117   8.5302   15.172   10.560   15.172   10.560 0.000000 0.000000 
1 1 1   16   20    1 o   64.949   6.9298   33.553   6.6070   33.730   9.0244   33.348   9.6994   63.172   9.9072   62.086   10.874 1.085739 14.71067 
1 1 1   16   20    2 o   64.252   7.1972   33.073   6.7764   25.058   9.3416   41.975   9.8448   52.562   12.161   70.695   9.5873 -18.13281 15.48594 
1 1 1   16   20    3 o   17.432   8.3162  -6.5144   6.0174 -14.9034   7.8119   5.7250   9.4359   17.071   8.4316   30.667   12.678 -13.59559 15.22591 
1 1 1   16   20    4 o   62.962   7.1704   32.063   6.6112   48.044   8.8287   11.662   9.9752   76.645   7.8359   35.938   13.590 40.70683 15.68714 
1 1 1   16   20    5 o   38.558   6.0120   11.961   3.3435   5.0383   7.2746   13.815   3.7647   27.676   11.251   41.348   6.3063 -13.67168 12.89807 
1 1 1   16   20    6 o   20.808   7.7672   3.0652   3.2365   0.4077   6.5296   3.9308   3.7265   22.387   9.9060   22.798   8.3667 -0.4108772 12.96652 
1 1 1   16   20    7 o   26.707   6.0244   5.9281   2.3417   3.8586   5.9894   6.3015   2.5443   24.571   10.124   27.421   6.3484 -2.850170 11.94962 
1 1 1   16   20    8 o   20.127   7.2558   3.1557   2.7847  -2.1927   9.1249   3.7049   2.9241   22.930   10.724   21.322   7.4596 1.607698 13.06339 
1 1 1   16   20    9 o   39.442   5.2739   12.699   3.0238   15.794   6.2169   11.740   3.4607   39.441   10.417   37.109   6.4911 2.331383 12.27400 
1 1 1   16   20   10 o   33.172   6.5757   9.6312   3.1373   5.4444   6.0935   11.141   3.6596   24.655   10.190   35.230   7.2100 -10.57504 12.48285 
1 1 1   16   21    0 o   28.011   14.526   9.7229   7.8479   9.7229   7.8479   9.7229   7.8479   28.011   14.526   28.011   14.526 0.000000 0.000000 
1 1 1   16   21    1 o   27.790   10.550   6.0602   6.0267   16.873   8.3410  -5.7511   8.7177   41.501   12.472   21.782   10.279 19.71969 16.16201 
1 1 1   16   21    2 o   29.464   10.575   7.4745   5.9090   18.463   8.2032  -4.3768   8.5190   43.504   12.170   22.124   10.352 21.38003 15.97687 
1 1 1   16   21    3 o   20.333   9.0659  -0.3994   5.5737  -7.2109   7.5262   7.8740   8.2946   19.211   9.2017   30.621   12.162 -11.41000 15.25109 
1 1 1   16   21    4 o   29.245   10.143   7.6818   5.4007   11.858   7.1166   2.0109   8.2930   34.747   11.653   25.376   11.199 9.371145 16.16219 
1 1 1   16   21    5 o   47.199   4.9127   17.663   3.4066   18.063   7.1674   17.547   3.8718   42.835   11.124   46.579   5.6937 -3.743423 12.49609 
1 1 1   16   21    6 o   21.237   7.9500   3.4546   3.3953  -4.5415   6.1909   6.8941   4.0604   17.997   8.5430   27.501   8.7770 -9.503767 12.24817 
1 1 1   16   21    7 o   54.935   3.3977   23.313   2.7693   19.418   9.5566   23.671   2.8935   39.635   13.502   55.281   3.5290 -15.64578 13.95598 
1 1 1   16   21    8 o   33.782   5.6999   9.5745   2.7687   6.1241   6.4879   10.343   3.0615   25.776   10.569   34.858   6.1135 -9.082071 12.20956 
1 1 1   16   21    9 o   17.694   7.1310   2.0546   2.8943   2.6644   6.3945   1.8974   3.2459   21.942   9.7516   17.935   7.4269 4.007771 12.25772 
1 1 1   16   22    0 o   18.707   12.153   1.1217   8.1163   1.1217   8.1163   1.1217   8.1163   18.707   12.153   18.707   12.153 0.000000 0.000000 
1 1 1   16   22    1 o   31.506   10.472   9.5933   5.7489   5.2604   8.0079   14.201   8.2581   27.110   11.474   36.283   12.545 -9.173502 17.00076 
1 1 1   16   22    2 o   20.269   9.1391  -0.3579   5.8407   0.4708   8.0512  -1.2784   8.4860   23.475   10.644   22.871   10.575 0.6042747 15.00392 
1 1 1   16   22    3 o   26.869   9.9480   6.5405   5.2877   8.8603   7.4413   4.1744   7.5151   29.949   11.632   25.525   10.968 4.424021 15.98735 
1 1 1   16   22    4 o   29.080   10.162   8.2755   5.4253   20.453   7.1502  -8.2478   8.3290   45.053   10.787   19.082   9.2710 25.97098 14.22389 
1 1 1   16   22    5 o   22.843   7.1521   4.5764   2.7075   14.179   9.3062   3.6884   2.8299   33.877   13.049   20.973   7.3385 12.90339 14.97123 
1 1 1   16   22    6 o   18.604   7.6265   2.0714   3.3777   10.927   6.5510  -1.1353   3.9420   31.274   11.144   15.994   7.3265 15.27987 13.33700 
1 1 1   16   22    7 f   17.999   6.3176   2.6592   2.0981   9.2691   6.5787   1.9107   2.2137   28.508   10.974   16.507   6.3628 12.00064 12.68548 
1 1 1   16   22    8 o   30.374   5.9755   8.0775   2.6098   9.2703   6.2680   7.8273   2.8704   27.830   10.712   29.323   6.7106 -1.493174 12.64070 
1 1 1   16   23    0 o   18.945   12.833  -1.4938   10.771  -1.4938   10.771  -1.4938   10.771   18.945   12.833   18.945   12.833 0.000000 0.000000 
1 1 1   16   23    1 o   22.573   10.309   1.0362   7.7294  -2.4594   11.460   3.9532   10.469   23.704   11.354   26.007   11.923 -2.302284 16.46406 
1 1 1   16   23    2 o   27.137   11.377   7.2668   7.7540 -10.0379   10.322   29.686   11.748   20.102   9.8829   45.439   14.963 -25.33675 17.93238 
1 1 1   16   23    3 o   26.436   10.302   7.0178   5.8525   4.8289   7.1564   11.438   10.169   24.617   10.641   30.123   12.846 -5.505051 16.68085 
1 1 1   16   23    4 o   41.853   8.9585   17.121   5.4215   24.094   7.5246   9.5934   7.8181   47.144   10.920   28.591   11.648 18.55272 15.96615 
1 1 1   16   23    5 o   13.818   6.8166  -7.8399   5.0544 -10.8368   6.7161  -3.9258   7.6754   15.284   7.5958   19.097   9.1850 -3.813244 11.91891 
1 1 1   16   23    6 o   23.084   7.6927   5.1254   3.1017   14.984   6.6435   2.3774   3.5075   34.634   11.245   18.625   7.7171 16.00913 13.63818 
1 1 1   16   23    7 o   15.529   6.9766   0.1528   3.3679   4.9195   6.4928  -1.6020   3.9394   22.620   9.9495   14.964   7.0138 7.655840 12.17321 
1 1 1   16   24    0 o   50.429   11.043   23.892   7.2700   23.892   7.2700   23.892   7.2700   50.429   11.043   50.429   11.043 0.000000 0.000000 
1 1 1   16   24    1 o   17.573   8.2033  -1.2574   5.2993   4.1596   7.6897  -6.1569   7.3131   23.261   10.487   17.555   8.5643 5.706244 13.54002 
1 1 1   16   24    2 o   16.272   7.7219  -2.6463   5.0521  -3.5351   6.8379  -1.5780   7.4969   18.074   8.6872   19.676   9.3575 -1.601395 12.76831 
1 1 1   16   24    3 o   18.139   8.3306   0.0925   5.1422  -1.3768   6.9231   1.9008   7.6801   19.088   9.0530   21.471   9.9737 -2.383070 13.46970 
1 1 1   16   24    4 o   18.096   8.3404   0.1757   5.2170  -1.0323   7.5927   1.2560   7.1806   19.583   9.3421   20.488   9.5592 -0.9051247 13.36613 
1 1 1   16   24    5 o   23.694   10.228   6.6636   6.5943  -3.1857   11.643   11.315   8.0013   20.745   10.255   27.151   11.479 -6.405741 15.39280 
1 1 1   16   25    0 o   21.142   12.590   6.4221   6.9665   6.4221   6.9665   6.4221   6.9665   21.142   12.590   21.142   12.590 0.000000 0.000000 
1 1 1   16   25    1 f   13.825   6.8340  -6.8228   5.1692  -7.0370   7.5743  -6.6361   7.0722   16.592   8.2144   16.236   8.0195 0.3563137 11.47998 
1 1 1   17    1    0 o  302.741   2.9855  683.580   13.473  683.580   13.473  683.580   13.473  302.741   2.9855  302.741   2.9855 0.000000 0.000000 
1 1 1   17    1    1 o  635.508   3.0788  3012.10   29.173  2982.23   40.698  3043.67   41.839  632.217   4.3176  638.687   4.3936 -6.470459 6.159956 
1 1 1   17    1    2 o  448.500   2.7161  1500.10   18.163  1507.61   23.051  1487.79   29.497  449.574   3.4389  446.526   4.4305 3.048706 5.608550 
1 1 1   17    1    3 f  243.365   2.2367  441.643   8.1160  446.734   10.068  432.198   13.714  244.747   2.7591  240.688   3.8215 4.058807 4.713479 
1 1 1   17    1    4 o  134.661   2.2009  135.223   4.4189  134.357   5.9842  136.261   6.5528  134.213   2.9905  135.154   3.2518 -0.9410248 4.417863 
1 1 1   17    1    5 o   69.403   3.8515   36.056   3.9698   37.318   6.6723   35.365   4.9392   70.360   6.4315   68.648   4.8570 1.711777 8.059411 
1 1 1   17    1    6 o  133.850   2.2090  133.614   4.4084  137.800   6.2015  129.339   6.2680  135.905   3.0605  131.661   3.1930 4.243103 4.422886 
1 1 1   17    1    7 f  161.000   2.1316  193.327   5.1169  198.133   7.3258  188.749   7.1501  162.950   3.0153  159.045   3.0152 3.905670 4.264218 
1 1 1   17    1    8 o  244.462   2.0760  445.760   7.5668  443.811   10.755  447.671   10.648  243.859   2.9580  244.921   2.9159 -1.062119 4.153562 
1 1 1   17    1    9 o  222.614   2.5745  369.812   8.5450  364.203   9.9727  385.305   16.573  220.876   3.0283  226.930   4.8983 -6.053879 5.758761 
1 1 1   17    1   10 o   44.818   5.1622   15.241   3.3864   13.107   5.7850   16.354   4.1769   40.793   9.6605   46.273   6.2108 -5.480011 11.48476 
1 1 1   17    1   11 f   95.533   2.6706   68.138   3.8039   59.144   5.8996   74.538   4.9765   88.774   4.4716   99.877   3.3418 -11.10220 5.582372 
1 1 1   17    1   12 o   96.925   3.0864   70.197   4.4602   81.211   6.6328   61.106   6.0262  104.142   4.2717   90.316   4.4752 13.82605 6.186638 
1 1 1   17    1   13 o   81.948   3.2019   50.204   3.9122   60.731   6.3236   43.675   4.9796   89.860   4.7366   76.215   4.4008 13.64510 6.465478 
1 1 1   17    1   14 o  189.910   2.3125  269.312   6.5478  268.270   10.068  270.077   8.6194  189.325   3.5668  190.064   3.0416 -0.7388000 4.687633 
1 1 1   17    1   15 o  103.712   2.8507   80.447   4.4081   80.824   7.3715   80.238   5.4999  103.652   4.7699  103.482   3.5647 0.1694183 5.954703 
1 1 1   17    1   16 o  114.949   2.9809   99.004   5.1089   93.677   8.0105  102.656   6.6331  111.360   4.8246  116.865   3.8068 -5.504578 6.145620 
1 1 1   17    1   17 o   63.642   4.2384   30.798   3.9988   25.052   6.1901   34.913   5.2385   56.144   7.5892   67.436   5.2515 -11.29212 9.228946 
1 1 1   17    1   18 o   86.912   3.4555   57.168   4.4777   73.150   8.2768   50.555   5.3242   96.885   5.7556   81.237   4.4122 15.64802 7.252224 
1 1 1   17    1   19 o   74.089   3.5840   41.848   3.9590   43.570   6.8171   40.971   4.8631   73.733   6.2603   72.718   4.5076 1.014664 7.714253 
1 1 1   17    2    0 o  106.308   3.7655   84.594   5.9514   84.594   5.9514   84.594   5.9514  106.308   3.7655  106.308   3.7655 0.000000 0.000000 
1 1 1   17    2    1 o  145.977   2.2076  158.899   4.8047  164.731   6.5416  152.068   7.0800  148.617   2.9522  142.781   3.3258 5.835587 4.447062 
1 1 1   17    2    2 o  333.779   2.1806  830.757   10.852  810.283   14.623  855.854   16.190  329.602   2.9757  338.730   3.2057 -9.128265 4.373937 
1 1 1   17    2    3 o  314.295   2.1065  736.604   9.8714  740.724   13.768  732.245   14.160  315.132   2.9304  313.318   3.0312 1.814850 4.216069 
1 1 1   17    2    4 o  330.642   2.3766  815.320   11.716  827.124   18.592  807.545   15.089  332.931   3.7453  329.018   3.0760 3.911957 4.846574 
1 1 1   17    2    5 o  356.856   2.2400  949.735   11.918  949.731   16.934  949.739   16.777  356.781   3.1834  356.785   3.1539 -0.4333496E-02 4.481205 
1 1 1   17    2    6 o  254.804   2.0473  484.206   7.7778  495.736   11.094  473.061   10.907  257.769   2.8867  251.803   2.9052 5.965424 4.095479 
1 1 1   17    2    7 o  125.638   2.5826  117.766   4.8378  131.439   6.5696  101.569   7.1506  132.697   3.3205  116.608   4.1128 16.08846 5.285964 
1 1 1   17    2    8 o  246.054   2.0838  451.614   7.6446  473.752   11.104  431.663   10.541  251.934   2.9560  240.485   2.9397 11.44974 4.168951 
1 1 1   17    2    9 o  249.146   2.3730  463.183   8.8150  464.799   11.371  460.750   13.954  249.504   3.0567  248.315   3.7691 1.188904 4.852800 
1 1 1   17    2   10 o   69.469   3.1887   36.047   3.3028   38.277   5.2296   34.568   4.2598   71.318   4.9487   67.847   4.2322 3.471191 6.511623 
1 1 1   17    2   11 o   94.063   2.6505   66.064   3.7173   64.725   5.8235   66.985   4.8291   92.994   4.2001   94.666   3.4214 -1.672012 5.417209 
1 1 1   17    2   12 o   49.748   4.5131   18.697   3.3111   18.602   5.1998   18.762   4.2942   49.098   7.3276   49.600   5.9239 -0.5029411 9.422629 
1 1 1   17    2   13 o   53.860   4.5782   21.911   3.6416   18.618   5.6248   24.287   4.7782   48.929   7.9857   56.526   5.7496 -7.596405 9.840197 
1 1 1   17    2   14 o   26.798   8.1596   5.5071   3.5530   2.0475   6.6662   6.8797   4.1991   26.074   10.704   29.755   8.8285 -3.681044 13.87540 
1 1 1   17    2   15 o  126.897   2.7396  120.445   5.1834  109.990   7.9591  128.145   6.8305  120.944   4.4138  130.752   3.5038 -9.808418 5.635422 
1 1 1   17    2   16 o  106.169   2.9909   84.513   4.7345   74.573   8.5970   88.840   5.6721   98.768   5.8642  108.738   3.4986 -9.970116 6.828566 
1 1 1   17    2   17 f   48.707   4.8034   18.247   3.4428   34.194   6.0731   10.695   4.1793   66.224   6.2237   36.141   7.9701 30.08293 10.11223 
1 1 1   17    2   18 o   17.341   7.4686   0.1889   3.4996   5.0206   5.8664  -2.4805   4.3604   26.816   10.352   16.643   7.6536 10.17301 12.87398 
1 1 1   17    2   19 o   49.809   4.9815   19.541   3.6499   21.680   6.8846   18.704   4.3045   49.113   9.7458   48.070   6.1467 1.043041 11.52224 
1 1 1   17    3    0 o  249.678   2.8939  465.026   10.770  465.026   10.770  465.026   10.770  249.678   2.8939  249.678   2.8939 0.000000 0.000000 
1 1 1   17    3    1 o  160.101   2.4506  191.158   5.8498  201.540   7.0393  167.987   10.516  164.379   2.8722  150.007   4.7020 14.37157 5.509849 
1 1 1   17    3    2 o  249.570   2.0927  464.466   7.7871  465.583   10.427  463.057   11.710  249.842   2.7990  249.145   3.1524 0.6962585 4.215690 
1 1 1   17    3    3 o  229.976   2.2200  394.423   7.6121  407.577   11.893  385.295   9.9070  233.722   3.4130  227.270   2.9237 6.452652 4.494022 
1 1 1   17    3    4 o  123.736   2.7190  114.209   5.0163  118.109   6.1274  106.282   8.7349  125.815   3.2664  119.283   4.9115 6.531494 5.898482 
1 1 1   17    3    5 o   21.053   7.2075   3.0337   2.7232   4.4926   3.6584   1.2210   4.0779   25.147   8.3533   20.681   8.4176 4.465876 11.85889 
1 1 1   17    3    6 o  108.830   2.3685   88.351   3.8431   93.460   5.3400   82.861   5.5353  111.903   3.2006  105.354   3.5238 6.548622 4.760401 
1 1 1   17    3    7 o  227.892   2.2853  387.437   7.7650  405.604   12.787  376.825   9.7733  233.044   3.6802  224.700   2.9172 8.343857 4.696146 
1 1 1   17    3    8 o  105.887   2.6533   83.677   4.1889   85.401   5.7211   81.684   6.1501  106.923   3.5887  104.549   3.9454 2.374550 5.333405 
1 1 1   17    3    9 o  177.438   2.1327  234.905   5.6423  234.866   9.8361  234.924   6.8883  177.274   3.7214  177.409   2.6041 -0.1354980 4.542076 
1 1 1   17    3   10 o  204.700   2.0177  312.641   6.1581  307.269   9.3834  316.705   8.1615  202.815   3.1031  205.961   2.6577 -3.146149 4.085664 
1 1 1   17    3   11 o   40.163   5.6865   12.355   3.3100   18.493   5.7821   9.3621   4.0370   48.765   8.2466   34.495   8.0040 14.27036 11.49214 
1 1 1   17    3   12 f  118.187   2.4970  104.309   4.4000  104.839   6.8554  103.938   5.7378  118.342   3.8853  117.905   3.2639 0.4374619 5.074312 
1 1 1   17    3   13 o   19.315   7.7044   1.4708   3.3415  -0.4470   5.1716   2.8452   4.3781   20.931   9.0466   23.310   8.9579 -2.378944 12.73127 
1 1 1   17    3   14 o   66.683   3.9977   33.462   3.9562   36.444   6.1465   31.353   5.1694   69.206   6.0167   64.277   5.4451 4.928802 8.114824 
1 1 1   17    3   15 o   34.766   6.9726   9.5383   3.4885  -1.0687   5.8488   15.395   4.3461   21.518   9.4545   44.467   6.7690 -22.94845 11.62789 
1 1 1   17    3   16 o   35.756   7.0170   10.185   3.6072   11.419   7.1252   9.7593   4.1829   37.131   11.599   34.679   8.2160 2.452312 14.21368 
1 1 1   17    3   17 o   39.544   5.7824   12.310   3.3085   13.550   5.5402   11.622   4.1248   40.006   9.4404   37.725   7.5962 2.281326 12.11713 
1 1 1   17    3   18 o   39.035   5.4975   12.082   3.1109   4.3952   4.7163   18.003   4.1391   24.746   9.3476   47.549   5.9700 -22.80265 11.09140 
1 1 1   17    3   19 o   34.502   6.8817   10.020   3.4159   19.538   5.4215   3.7543   4.3989   47.748   7.8911   22.968   8.9367 24.77989 11.92201 
1 1 1   17    4    0 f  283.842   3.5315  601.138   14.940  601.138   14.940  601.138   14.940  283.842   3.5315  283.842   3.5315 0.000000 0.000000 
1 1 1   17    4    1 o  232.837   2.4480  404.339   8.4984  396.460   11.555  413.621   12.543  230.511   3.3621  235.434   3.5732 -4.922836 4.906248 
1 1 1   17    4    2 o  113.322   2.8843   95.799   4.8733   97.154   5.4608   90.502   10.800  114.112   3.2096  109.789   6.6290 4.322128 7.365098 
1 1 1   17    4    3 o  213.235   2.1003  339.097   6.6773  365.178   10.030  318.339   8.9483  221.236   3.0408  206.569   2.9054 14.66772 4.205701 
1 1 1   17    4    4 o  136.663   2.5160  139.319   5.1267  128.437   8.1957  146.314   6.5710  131.145   4.1915  140.027   3.1474 -8.882431 5.241616 
1 1 1   17    4    5 o  169.023   2.0392  213.077   5.1389  211.249   7.1155  215.069   7.4296  168.260   2.8363  169.769   2.9352 -1.508987 4.081667 
1 1 1   17    4    6 o   29.439   6.5554   6.7520   2.8035   6.0960   3.8781   7.4700   4.0575   28.329   8.5024   31.024   8.5140 -2.695463 12.03237 
1 1 1   17    4    7 o  339.095   2.2204  857.847   11.226  862.768   15.949  853.015   15.804  339.938   3.1468  338.013   3.1360 1.925140 4.442590 
1 1 1   17    4    8 o  186.434   1.9443  259.286   5.4045  257.489   8.2523  260.635   7.1517  185.705   2.9805  186.873   2.5668 -1.168228 3.933388 
1 1 1   17    4    9 o   74.371   2.8980   41.303   3.2134   43.111   4.9843   40.016   4.2037   75.769   4.4314   73.054   3.8732 2.714760 5.885501 
1 1 1   17    4   10 o   98.246   2.5538   72.065   3.7409   80.730   5.9226   66.313   4.8253  103.888   3.8236   94.187   3.4361 9.701881 5.140709 
1 1 1   17    4   11 o   56.396   4.3405   23.967   3.6217   28.236   5.5402   20.781   4.7858   60.933   6.1839   52.163   6.2796 8.769817 8.813269 
1 1 1   17    4   12 o   90.438   2.9815   61.133   4.0203   59.510   6.3858   62.198   5.1746   88.913   4.8352   91.149   3.8076 -2.235153 6.154442 
1 1 1   17    4   13 o   52.819   4.6438   21.104   3.6199   17.380   5.5382   23.881   4.7830   47.133   8.1774   55.996   5.8136 -8.862782 10.03331 
1 1 1   17    4   14 o   23.502   8.2518   3.7826   3.5797   10.555   5.4910  -1.2234   4.7208   36.296   9.8812   19.134   8.4471 17.16141 12.99970 
1 1 1   17    4   15 o   67.130   4.0453   34.029   4.0300   29.124   6.4009   37.250   5.1871   61.237   7.1449   70.016   5.0018 -8.779266 8.721675 
1 1 1   17    4   16 o   47.438   5.2992   17.373   3.6840   13.420   5.4232   20.760   5.0200   40.276   9.2288   51.413   6.7087 -11.13680 11.40948 
1 1 1   17    4   17 o   55.788   4.1064   23.808   3.3916   31.437   5.7106   19.651   4.2157   63.219   6.1358   50.033   5.7561 13.18606 8.413145 
1 1 1   17    4   18 o   46.800   4.8573   17.144   3.3400   13.741   5.1347   19.639   4.3974   39.722   8.8917   49.485   6.0885 -9.763161 10.77645 
1 1 1   17    5    0 o  194.182   5.1726  281.995   14.952  281.995   14.952  281.995   14.952  194.182   5.1726  194.182   5.1726 0.000000 0.000000 
1 1 1   17    5    1 o   57.024   4.7529   24.460   4.0042   18.016   8.3142   26.406   4.5690   47.915   11.732   59.211   5.2292 -11.29683 12.84469 
1 1 1   17    5    2 o   47.963   4.2387   17.313   2.9999   17.019   3.3629   18.457   6.6380   47.484   4.8167   48.728   9.4779 -1.243431 10.63166 
1 1 1   17    5    3 o   80.052   2.7032   47.810   3.2264   50.608   4.1780   43.676   5.0783   82.342   3.4031   76.330   4.4819 6.012177 5.627484 
1 1 1   17    5    4 o  143.906   2.0808  154.460   4.4646  139.805   5.8863  174.310   6.8506  136.877   2.8843  152.831   3.0064 -15.95398 4.166250 
1 1 1   17    5    5 o   52.471   4.4352   20.724   3.4372   21.412   3.8969   18.312   7.2951   53.278   4.9628   48.310   10.433 4.967098 11.55340 
1 1 1   17    5    6 o  123.158   2.2509  113.162   4.1332  116.206   5.7625  109.937   5.9315  124.761   3.0979  121.338   3.2787 3.422424 4.510708 
1 1 1   17    5    7 o  154.792   2.0600  178.753   4.7542  183.897   7.0527  174.469   6.4363  156.938   3.0141  152.876   2.8237 4.061401 4.130187 
1 1 1   17    5    8 o  128.576   2.3066  123.370   4.4218  130.878   7.8260  119.849   5.3593  132.297   3.9675  126.694   2.8371 5.602486 4.877560 
1 1 1   17    5    9 o   89.565   2.5893   59.891   3.4578   57.345   5.3272   61.745   4.5454   87.544   4.0813   90.895   3.3540 -3.351044 5.282633 
1 1 1   17    5   10 o  194.161   2.0425  281.334   5.9127  285.251   9.2400  278.618   7.6942  195.362   3.1722  193.149   2.6718 2.212967 4.147463 
1 1 1   17    5   11 o  165.513   2.1800  204.499   5.3798  192.403   8.1525  213.830   7.1602  160.386   3.4092  169.167   2.8388 -8.781113 4.436387 
1 1 1   17    5   12 o  154.687   2.5097  178.731   5.7883  172.600   10.448  181.446   6.9526  151.655   4.6209  155.793   2.9932 -4.137650 5.505598 
1 1 1   17    5   13 o   44.413   6.3564   15.209   4.0891   14.679   6.6310   15.535   5.1943   42.708   10.490   44.465   8.1347 -1.756439 13.27432 
1 1 1   17    5   14 o   75.225   4.0535   42.633   4.5296   36.772   6.2421   49.153   6.5831   69.372   6.0969   80.440   5.5224 -11.06843 8.226082 
1 1 1   17    5   15 o   88.143   3.6002   58.418   4.7314   54.829   6.7166   61.952   6.6660   84.802   5.3394   90.292   4.9707 -5.489738 7.295053 
1 1 1   17    5   16 o   53.379   4.4651   21.804   3.5210   19.509   5.2433   23.688   4.7519   49.402   7.3417   55.156   5.8685 -5.753315 9.398933 
1 1 1   17    5   17 o   70.979   3.6843   38.372   3.8856   49.393   7.8558   34.803   4.4708   78.670   6.7632   67.244   4.4850 11.42648 8.115162 
1 1 1   17    5   18 f   80.804   3.2116   49.636   3.8693   51.507   6.4156   48.567   4.8507   80.782   5.3570   79.342   4.1146 1.440865 6.754837 
1 1 1   17    6    0 o  290.193   2.8974  628.233   12.533  628.233   12.533  628.233   12.533  290.193   2.8974  290.193   2.8974 0.000000 0.000000 
1 1 1   17    6    1 o   93.391   2.7397   65.076   3.8148   65.979   4.2370   61.210   8.7671   94.028   3.0223   90.157   6.5672 3.871101 7.229295 
1 1 1   17    6    2 o   87.170   2.7989   56.699   3.6377   57.434   4.1337   54.176   7.6591   87.722   3.1605   84.844   6.0952 2.877541 6.865880 
1 1 1   17    6    3 o  136.669   2.3175  139.340   4.7223  138.346   6.1171  140.807   7.4292  136.148   3.0134  137.318   3.6286 -1.170151 4.716749 
1 1 1   17    6    4 o  154.150   2.0651  177.250   4.7464  181.074   6.4415  172.707   7.0207  155.766   2.7736  152.105   3.0958 3.661560 4.156503 
1 1 1   17    6    5 o  160.578   1.8732  192.331   4.4847  195.896   6.8189  189.613   5.9536  162.003   2.8231  159.405   2.5050 2.597900 3.774206 
1 1 1   17    6    6 o  180.576   1.8893  243.238   5.0866  242.339   7.7952  243.904   6.7127  180.167   2.9019  180.782   2.4904 -0.6153107 3.824022 
1 1 1   17    6    7 f   99.964   2.5460   74.588   3.7947   68.958   7.0769   76.860   4.4956   95.821   4.9706  101.451   2.9721 -5.630264 5.791370 
1 1 1   17    6    8 o  103.801   2.3511   80.421   3.6387   81.880   5.7108   79.423   4.7211  104.649   3.6601  103.112   3.0709 1.537292 4.777711 
1 1 1   17    6    9 o  196.567   2.0071  288.332   5.8824  284.627   8.9857  291.111   7.7815  195.167   3.0880  197.440   2.6434 -2.272781 4.064859 
1 1 1   17    6   10 o   16.634   7.3827  -1.2491   3.6536  -0.8486   4.8152  -1.7925   5.6092   19.802   8.6424   20.630   9.1523 -0.8274326 12.58798 
1 1 1   17    6   11 o  156.430   2.2406  182.705   5.2259  190.024   8.3045  177.906   6.7241  159.357   3.4952  154.278   2.9232 5.078079 4.556502 
1 1 1   17    6   12 o  116.640   2.8272  101.698   4.9166   97.999   9.1725  103.189   5.8240  114.092   5.3921  117.431   3.3263 -3.338737 6.335599 
1 1 1   17    6   13 o   84.876   3.3071   53.947   4.1851   52.964   6.6509   54.591   5.3849   83.629   5.3622   85.259   4.2361 -1.629608 6.833609 
1 1 1   17    6   14 o  123.772   3.0350  114.783   5.6008  104.518   7.6822  126.428   8.1830  117.789   4.3743  129.590   4.2351 -11.80113 6.088598 
1 1 1   17    6   15 o   86.652   3.5088   56.518   4.5333   57.246   8.0157   56.176   5.4968   86.092   6.2881   86.189   4.2775 -0.9623718E-01 7.605110 
1 1 1   17    6   16 o   26.046   8.3622   5.4421   3.6815  -0.9697   6.5885   8.3529   4.4392   22.196   9.8796   31.535   8.9986 -9.338915 13.36346 
1 1 1   17    6   17 o   17.361   7.4444   0.3770   3.4490   0.9008   4.8239  -0.1708   4.9330   20.552   8.8082   19.679   8.6637 0.8736610 12.35489 
1 1 1   17    6   18 o   37.859   6.3523   11.846   3.4586   14.145   6.2570   10.835   4.1503   38.363   10.591   35.153   8.0869 3.209435 13.32555 
1 1 1   17    7    0 o   61.649   3.7989   28.678   3.4615   28.678   3.4615   28.678   3.4615   61.649   3.7989   61.649   3.7989 0.000000 0.000000 
1 1 1   17    7    1 o  110.749   2.0535   91.490   3.3908   90.962   4.4425   92.227   5.2483  110.406   2.6988  111.149   3.1669 -0.7439423 4.160886 
1 1 1   17    7    2 o  141.919   2.3758  150.270   5.0271  148.896   5.6857  155.193   10.761  141.252   2.6997  144.023   5.0113 -2.771240 5.692235 
1 1 1   17    7    3 o  170.637   2.4246  217.258   6.1685  205.097   10.114  224.461   7.7837  165.654   4.0950  173.400   3.0107 -7.745804 5.082631 
1 1 1   17    7    4 o   84.651   2.2756   53.465   2.8721   54.389   4.2367   52.680   3.9067   85.337   3.3298   83.995   3.1195 1.342232 4.562795 
1 1 1   17    7    5 o   88.054   2.3150   57.857   3.0393   54.148   4.5507   60.844   4.0837   85.127   3.5854   90.267   3.0342 -5.140182 4.697018 
1 1 1   17    7    6 o  204.727   1.9391  312.688   5.9190  315.377   8.7100  310.381   8.0684  205.517   2.8425  203.904   2.6539 1.613358 3.888846 
1 1 1   17    7    7 o  171.424   1.9317  219.249   4.9371  219.647   7.6548  218.966   6.4604  171.481   2.9940  171.263   2.5300 0.2180939 3.919819 
1 1 1   17    7    8 o   86.578   2.9074   55.995   3.7530   58.895   7.2299   54.926   4.3909   88.386   5.5138   85.712   3.4359 2.674652 6.496719 
1 1 1   17    7    9 o  131.998   2.2108  130.064   4.3509  134.477   6.7582  126.940   5.6860  134.098   3.3802  130.337   2.9260 3.760574 4.470673 
1 1 1   17    7   10 o  106.647   3.0613   85.031   4.8677   86.845   7.2729   83.559   6.5516  107.596   4.5335  105.592   4.1614 2.003769 6.153905 
1 1 1   17    7   11 o   44.987   5.1721   15.416   3.4061   13.262   5.1762   17.061   4.5233   40.922   8.7488   47.056   6.6311 -6.133713 10.97784 
1 1 1   17    7   12 o   90.200   3.6762   60.964   4.9440   81.341   13.069   57.561   5.3409  102.690   8.6156   87.594   4.0895 15.09630 9.536885 
1 1 1   17    7   13 o  135.147   2.5651  136.589   5.1686  139.920   8.2267  134.417   6.6435  136.467   4.0432  133.924   3.3271 2.542953 5.236167 
1 1 1   17    7   14 o   99.097   3.6872   73.856   5.4479   63.085   7.0234   90.125   8.6317   91.054   5.1950  108.955   5.3135 -17.90185 7.431108 
1 1 1   17    7   15 o   53.364   5.1532   21.948   4.0491   7.8885   8.7274   25.804   4.5708   33.104   12.665   57.825   5.3627 -24.72019 13.75364 
1 1 1   17    7   16 o   24.652   8.4274   4.7628   3.7229   11.207   7.1634   2.3780   4.3576   35.414   11.685   21.727   8.7520 13.68683 14.59947 
1 1 1   17    7   17 o   51.966   4.7435   21.107   3.6348   15.542   4.7800   28.737   5.5969   42.901   7.7585   59.642   6.3937 -16.74086 10.05358 
1 1 1   17    8    0 o   54.874   3.2742   22.703   2.6570   22.703   2.6570   22.703   2.6570   54.874   3.2742   54.874   3.2742 0.000000 0.000000 
1 1 1   17    8    1 o   83.990   2.0902   52.627   2.6175   52.322   3.4026   53.069   4.0965   83.725   2.7258   84.298   3.2593 -0.5728226 4.248891 
1 1 1   17    8    2 o  223.779   1.9483  373.560   6.5006  371.361   8.8649  376.117   9.5611  223.056   2.6656  224.459   2.8569 -1.403290 3.907342 
1 1 1   17    8    3 o  232.466   1.9983  403.154   6.9260  407.866   9.4983  397.805   10.121  233.748   2.7254  230.822   2.9409 2.926544 4.009561 
1 1 1   17    8    4 o   81.520   2.3011   49.592   2.7969   54.662   4.2449   45.701   3.7181   85.538   3.3284   78.221   3.1881 7.317757 4.608900 
1 1 1   17    8    5 o  101.152   2.1758   76.352   3.2814   74.206   4.8747   78.129   4.4373   99.659   3.2806  102.284   2.9097 -2.624870 4.385066 
1 1 1   17    8    6 o   90.603   2.9097   61.314   3.9307   54.551   5.4876   68.440   5.6329   85.253   4.3314   95.647   3.9499 -10.39378 5.862009 
1 1 1   17    8    7 o   11.384   5.3690  -2.6634   2.3718  -6.0197   3.4971   0.1954   3.2276   12.379   6.0129   17.253   7.2923 -4.873984 9.451577 
1 1 1   17    8    8 o  107.881   2.8276   86.954   4.5481   62.756   10.355   92.737   5.0626   90.690   7.7321  111.391   3.0483 -20.70060 8.311256 
1 1 1   17    8    9 o  135.715   2.5396  137.578   5.1388  135.388   7.8108  139.249   6.8237  134.452   3.8963  136.437   3.3544 -1.985031 5.141329 
1 1 1   17    8   10 o   46.553   5.3579   16.518   3.6510   11.432   4.8438   23.210   5.5557   37.953   8.7405   54.948   6.9359 -16.99507 11.15806 
1 1 1   17    8   11 o  173.417   2.2503  224.608   5.8184  209.717   8.8183  236.089   7.7430  167.344   3.5343  177.682   2.9228 -10.33752 4.586264 
1 1 1   17    8   12 o   87.263   3.6717   57.101   4.7772   50.251   8.3441   60.441   5.8266   80.967   6.9801   89.672   4.3580 -8.705475 8.228898 
1 1 1   17    8   13 o   34.732   7.3008   9.5882   3.6606   8.8342   5.7933   10.089   4.7229   33.373   10.464   35.329   8.9546 -1.956226 13.77244 
1 1 1   17    8   14 o   56.793   4.9970   24.695   4.1883   24.080   5.9880   25.284   5.8603   55.204   7.4667   56.744   7.0809 -1.539539 10.29031 
1 1 1   17    8   15 f   36.190   6.4679   10.493   3.3619   15.856   5.2873   6.8525   4.3559   43.803   8.4015   28.874   9.0767 14.92881 12.36821 
1 1 1   17    8   16 o   40.565   7.3593   13.617   4.2871   7.7641   11.405   14.580   4.6264   32.813   13.780   41.820   7.7036 -9.007217 15.78678 
1 1 1   17    8   17 o   47.776   5.1883   18.148   3.6364   13.830   6.2709   20.335   4.4634   38.005   10.643   50.023   6.1116 -12.01819 12.27326 
1 1 1   17    9    0 o  145.275   6.3863  158.760   13.772  158.760   13.772  158.760   13.772  145.275   6.3863  145.275   6.3863 0.000000 0.000000 
1 1 1   17    9    1 f  103.026   1.9768   79.189   3.0366   70.968   8.8070   80.299   3.2350   97.026   6.1193  103.741   2.0915 -6.714836 6.466823 
1 1 1   17    9    2 o  172.432   1.9397  221.820   4.9868  227.617   6.4985  213.518   7.7772  174.627   2.4959  169.077   3.0851 5.550217 3.968328 
1 1 1   17    9    3 o  139.106   1.9286  144.368   4.0001  147.742   5.5313  140.670   5.7915  140.675   2.6372  137.252   2.8301 3.423019 3.868379 
1 1 1   17    9    4 o   48.579   4.0284   17.776   2.8915   25.733   6.3877   15.726   3.2427   57.912   7.5798   45.557   4.8485 12.35457 8.997864 
1 1 1   17    9    5 o   84.688   2.4503   53.544   3.0939   49.700   4.6519   56.592   4.1432   81.509   3.8278   87.023   3.1932 -5.513840 4.984873 
1 1 1   17    9    6 o   24.747   7.1974   4.7182   2.8151   5.8595   3.5546   2.7981   4.6107   27.566   8.1079   23.680   9.1672 3.886108 12.23829 
1 1 1   17    9    7 o  109.952   2.5034   90.286   4.1040   87.865   8.1031   91.121   4.7597  108.179   5.0239  110.427   2.8909 -2.248657 5.796231 
1 1 1   17    9    8 o   71.319   3.6209   38.169   3.8377   32.398   7.1139   40.539   4.5578   64.956   7.4823   73.426   4.1805 -8.470406 8.570938 
1 1 1   17    9    9 o   82.741   3.3701   51.231   4.1575   59.070   6.2295   44.936   5.5828   88.559   4.7350   77.181   4.8765 11.37856 6.797125 
1 1 1   17    9   10 o  124.152   2.7495  115.221   5.0894  112.199   6.9869  118.637   7.4285  122.356   3.8299  125.795   3.9606 -3.438766 5.509534 
1 1 1   17    9   11 o   47.211   5.2366   17.003   3.6239   15.171   6.2518   17.930   4.4474   43.434   9.8772   48.251   6.3351 -4.817074 11.73420 
1 1 1   17    9   12 o  166.999   2.3319  208.489   5.8062  216.300   9.1122  203.150   7.5336  169.771   3.5999  164.679   3.0683 5.092087 4.730051 
1 1 1   17    9   13 o   83.060   3.9533   51.980   4.8958   48.285   8.1402   54.074   6.1280   78.893   6.9928   84.344   4.8940 -5.451164 8.535258 
1 1 1   17    9   14 o   52.895   5.2239   21.598   4.0660   11.167   7.1074   26.672   4.9573   36.240   11.617   58.633   5.7445 -22.39327 12.95990 
1 1 1   17    9   15 o   33.060   7.4357   9.0603   3.5763   13.377   6.5309   7.2115   4.2741   38.633   10.877   29.247   8.9582 9.385777 14.09089 
1 1 1   17    9   16 o   24.626   8.6608   4.8995   3.9441  -3.7159   6.3219   10.390   5.0468   19.216   8.9669   33.970   9.5605 -14.75465 13.10754 
1 1 1   17    9   17 o   17.775   7.5667   0.9432   3.5168   0.3158   6.0467   1.2638   4.3233   21.079   9.4175   19.507   8.3488 1.572325 12.58535 
1 1 1   17   10    0 o   83.358   7.3709   53.258   8.9960   53.258   8.9960   53.258   8.9960   83.358   7.3709   83.358   7.3709 0.000000 0.000000 
1 1 1   17   10    1 o  142.148   3.5439  151.066   7.5110  152.963   10.327  148.934   10.944  142.861   4.8485  140.909   5.2091 1.951904 7.116314 
1 1 1   17   10    2 o   18.838   8.5557  -3.0264   5.2299  -8.2146   6.8357   4.2979   8.1219   18.914   8.9776   30.593   12.072 -11.67899 15.04402 
1 1 1   17   10    3 o   90.285   3.2817   60.926   4.4176   45.214   12.762   63.065   4.7087   75.849   11.658   91.845   3.4386 -15.99576 12.15441 
1 1 1   17   10    4 o  111.939   2.3189   93.541   3.8703   80.019   8.0645   97.587   4.4115  103.107   5.2634  114.315   2.5883 -11.20792 5.865357 
1 1 1   17   10    5 o   87.452   4.4745   57.473   5.8147   57.576   7.5149   57.319   9.1790   87.293   5.8071   86.797   7.1566 0.4958878 9.216231 
1 1 1   17   10    6 o   26.212   8.3188   5.1512   3.6514   4.7613   6.2746   5.3508   4.4900   28.601   10.787   27.344   9.2554 1.257050 14.21356 
1 1 1   17   10    7 o   72.183   3.9960   39.158   4.2838   40.282   6.9409   38.467   5.4445   72.749   6.4665   71.350   5.1525 1.398766 8.268268 
1 1 1   17   10    8 o   68.716   4.1309   35.533   4.2126   33.208   7.4478   36.627   5.1083   65.639   7.7604   69.629   4.9529 -3.990509 9.206233 
1 1 1   17   10    9 o  112.049   3.1656   93.940   5.2885   88.621   8.8043   96.942   6.6148  108.304   5.4700  113.717   3.9014 -5.412918 6.718727 
1 1 1   17   10   10 o   51.177   5.8017   20.035   4.3487   23.434   7.4505   18.279   5.3556   54.354   9.5416   48.387   7.6800 5.966648 12.24851 
1 1 1   17   10   11 o   72.640   3.9373   39.747   4.2484   43.114   8.1572   38.494   4.9766   74.716   7.4207   71.324   4.7062 3.391624 8.787181 
1 1 1   17   10   12 o   84.917   3.4809   54.161   4.4071   46.632   8.2015   57.218   5.2257   77.558   7.1736   87.171   4.0207 -9.612747 8.223591 
1 1 1   17   10   13 o  101.232   3.4778   77.179   5.2491   67.779   8.2876   83.477   6.7832   93.781   5.9580  104.988   4.3334 -11.20678 7.367241 
1 1 1   17   10   14 o   66.836   4.3088   34.173   4.2709   36.053   9.9654   33.751   4.7270   64.723   10.701   66.208   4.8217 -1.485336 11.73691 
1 1 1   17   10   15 o   25.087   8.0971   5.1922   3.4483   12.879   6.8269   2.5594   3.9954   37.184   11.308   21.212   8.4362 15.97117 14.10827 
1 1 1   17   10   16 o   40.053   6.6749   13.345   3.8459   0.4184   6.3392   20.873   4.8379   21.843   9.7082   50.307   6.6100 -28.46424 11.74479 
1 1 1   17   11    0 o  116.878   9.1492  104.586   15.719  104.586   15.719  104.586   15.719  116.878   9.1492  116.878   9.1492 0.000000 0.000000 
1 1 1   17   11    1 o  129.464   4.3010  125.564   8.3021  122.332   9.7495  134.092   15.835  127.656   5.1224  132.752   8.0382 -5.095695 9.531605 
1 1 1   17   11    2 o  164.065   1.8497  200.851   4.5247  214.710   10.970  198.010   4.9669  169.276   4.3467  162.883   2.0452 6.392334 4.803802 
1 1 1   17   11    3 o  179.623   2.3354  240.898   6.2544  232.766   11.009  244.773   7.6001  176.266   4.1890  180.999   2.8162 -4.732895 5.047657 
1 1 1   17   11    4 o  146.603   2.0848  160.429   4.5570  161.214   9.8291  160.214   5.1432  146.617   4.4963  146.478   2.3550 0.1387787 5.075739 
1 1 1   17   11    5 o   53.807   4.3961   21.856   3.4959   14.303   6.2767   25.253   4.2093   42.313   10.091   57.775   4.9338 -15.46205 11.23242 
1 1 1   17   11    6 o  143.052   2.3905  152.848   5.0987  153.071   9.5656  152.760   6.0261  142.811   4.4924  142.956   2.8273 -0.1450500 5.308018 
1 1 1   17   11    7 o  158.894   2.2896  188.568   5.4242  207.612   10.765  182.087   6.2797  166.322   4.3409  156.083   2.6984 10.23907 5.111256 
1 1 1   17   11    8 o   86.285   3.2141   55.719   4.1349   55.893   10.511   55.688   4.4975   85.081   8.3955   86.229   3.4982 -1.148605 9.095195 
1 1 1   17   11    9 o  121.072   3.0989  109.708   5.5940  123.915   10.050  103.330   6.7336  128.199   5.2578  117.375   3.8477 10.82430 6.515341 
1 1 1   17   11   10 o   85.784   3.6105   55.201   4.6179   67.953   13.014   53.364   4.9393   93.067   9.5127   84.297   3.9300 8.769897 10.29256 
1 1 1   17   11   11 o   22.004   8.2629   2.8999   3.6735  -0.7425   6.9502   4.3119   4.3273   23.660   10.353   25.172   9.0482 -1.511690 13.74982 
1 1 1   17   11   12 o  117.473   3.0783  103.629   5.3917  105.527   9.4173  102.703   6.5762  117.676   5.3674  116.733   3.7784 0.9430084 6.563995 
1 1 1   17   11   13 o   62.485   4.9500   30.039   4.5738   24.475   7.5620   33.248   5.7435   54.020   9.7474   65.313   5.9638 -11.29309 11.42715 
1 1 1   17   11   14 o   20.693   7.9683   2.6579   3.4691  -7.8796   6.3497   7.1415   4.1419   17.257   8.3136   29.010   8.8048 -11.75328 12.10952 
1 1 1   17   11   15 o   53.565   4.8585   22.519   3.8380   20.121   7.2052   23.470   4.5349   46.490   10.627   54.196   5.6975 -7.705715 12.05752 
1 1 1   17   11   16 o   42.165   6.4279   14.859   3.9132   23.105   6.8977   10.945   4.7520   49.724   9.6520   34.213   9.1415 15.51103 13.29389 
1 1 1   17   12    0 o  109.559   6.6420   90.944   10.758   90.944   10.758   90.944   10.758  109.559   6.6420  109.559   6.6420 0.000000 0.000000 
1 1 1   17   12    1 o   56.639   7.2421   24.677   5.9757   19.880   7.9668   30.848   9.0355   49.801   11.021   62.656   10.009 -12.85531 14.88768 
1 1 1   17   12    2 o   81.205   5.1941   49.775   6.2558   50.559   7.9916   48.535   10.053   81.530   6.6318   79.322   8.6401 2.207611 10.89178 
1 1 1   17   12    3 o  213.621   2.3455  340.807   7.4706  367.703   13.731  329.498   8.9038  221.464   4.1583  209.958   2.8443 11.50655 5.038027 
1 1 1   17   12    4 o  126.097   2.6618  118.822   5.0043  121.937   9.3499  117.571   5.9243  127.368   4.9235  125.368   3.1694 1.999245 5.855446 
1 1 1   17   12    5 o   50.362   3.9576   19.129   2.9478   22.232   6.9999   18.460   3.2500   53.128   9.1683   49.390   4.4616 3.737740 10.19623 
1 1 1   17   12    6 o   96.177   2.6128   69.134   3.7467   67.376   7.8898   69.646   4.2574   94.344   5.6347   96.497   2.9591 -2.152985 6.364428 
1 1 1   17   12    7 o   57.202   5.4845   24.901   4.6202   21.706   9.7389   25.829   5.2484   51.365   12.771   58.118   6.1502 -6.753204 14.17467 
1 1 1   17   12    8 o  111.346   2.6761   92.706   4.4428   93.235   8.6926   92.519   5.1689  111.185   5.2437  111.173   3.1184 0.1216125E-01 6.100825 
1 1 1   17   12    9 o   75.877   4.5427   43.497   5.1156   38.320   11.478   44.780   5.7146   68.730   11.614   76.882   5.0127 -8.151634 12.64972 
1 1 1   17   12   10 o   19.003   7.7143   1.2607   3.4139   2.9647   6.7727   0.6803   3.9528   26.787   10.869   19.389   8.1258 7.398598 13.57038 
1 1 1   17   12   11 o   30.403   7.6985   7.4598   3.4933   13.198   6.6629   5.2843   4.1024   39.690   10.918   26.418   8.8474 13.27160 14.05249 
1 1 1   17   12   12 o   58.940   4.4489   26.541   3.8808   26.387   7.5673   26.596   4.5205   56.591   9.2912   58.738   5.2161 -2.147400 10.65520 
1 1 1   17   12   13 o   33.121   8.2702   9.2495   4.0717   17.250   7.0207   5.1946   4.9981   44.020   10.782   26.349   9.6866 17.67139 14.49438 
1 1 1   17   12   14 o  118.472   3.1479  106.484   5.5604  124.183   14.549  103.457   6.0171  122.043   8.0408  116.564   3.4622 5.478661 8.754535 
1 1 1   17   12   15 o   63.193   4.2874   31.153   4.0156   30.586   7.3757   31.392   4.7873   58.860   8.6637   62.824   5.1564 -3.964062 10.08211 
1 1 1   17   13    0 o  156.236   5.3878  183.361   12.517  183.361   12.517  183.361   12.517  156.236   5.3878  156.236   5.3878 0.000000 0.000000 
1 1 1   17   13    1 o  108.098   4.5455   87.756   7.3261   85.366   9.8980   90.652   10.895  106.083   6.2860  109.195   6.7246 -3.111992 9.205089 
1 1 1   17   13    2 o  122.690   4.1357  112.917   7.5654  119.943   9.9572  103.321   11.636  126.201   5.2918  116.586   6.7225 9.615227 8.555414 
1 1 1   17   13    3 o  148.430   2.4306  164.605   5.3791  150.718   10.432  169.635   6.2782  141.543   4.9431  150.628   2.7955 -9.084381 5.678785 
1 1 1   17   13    4 o  135.288   2.6155  136.807   5.2758  133.613   9.6475  138.170   6.3014  133.271   4.8552  135.886   3.1102 -2.615738 5.766000 
1 1 1   17   13    5 o  162.385   2.1369  196.937   5.1736  199.032   10.914  196.330   5.8757  162.737   4.4982  162.091   2.4312 0.6456909 5.113220 
1 1 1   17   13    6 o   53.443   4.0559   21.559   3.2078   34.461   9.7455   19.992   3.3971   65.885   10.254   51.380   4.4792 14.50494 11.18993 
1 1 1   17   13    7 o   84.944   3.7631   54.132   4.7659   48.667   7.9635   57.181   5.9488   79.717   6.7639   87.051   4.5997 -7.333694 8.179758 
1 1 1   17   13    8 o  115.209   2.8285   99.346   4.8586   87.698   13.007  101.234   5.2377  106.372   8.2663  116.267   3.0214 -9.894638 8.801150 
1 1 1   17   13    9 o   58.707   4.3194   26.111   3.7542   20.164   7.2478   28.291   4.3889   49.753   10.115   60.994   4.8666 -11.24112 11.22495 
1 1 1   17   13   10 o   25.651   8.0854   5.1178   3.4540   9.7881   6.6980   3.4261   4.0313   34.785   11.291   23.272   8.6722 11.51341 14.23687 
1 1 1   17   13   11 o   35.380   11.569   10.492   7.0279   10.492   7.0279   0.0000   0.0000   35.380   11.569  ?   ?  0.000000 11.56943 
1 1 1   17   13   12 o   34.398   7.1455   9.6847   3.5450   11.274   6.8294   9.0985   4.1475   35.717   11.381   32.881   8.4225 2.836216 14.15875 
1 1 1   17   13   13 o   99.875   3.7763   76.145   5.6233   63.388   11.189   80.456   6.5045   86.481   8.7999  102.336   4.2630 -15.85446 9.778144 
1 1 1   17   13   14 o   71.242   3.8383   39.137   4.0620   40.037   7.8522   38.808   4.7465   68.650   7.8106   70.478   4.5412 -1.827896 9.034768 
1 1 1   17   13   15 o   67.266   4.1277   35.436   4.1198   24.416   7.1353   40.947   5.0459   50.520   9.8265   71.782   4.7413 -21.26201 10.91056 
1 1 1   17   14    0 f   19.452   12.598  -0.0720   8.6338  -0.0720   8.6338  -0.0720   8.6338   19.452   12.598   19.452   12.598 0.000000 0.000000 
1 1 1   17   14    1 o   46.805   9.6024   17.507   6.4763   22.026   8.6339   11.694   9.7930   52.069   11.434   39.441   13.660 12.62784 17.81376 
1 1 1   17   14    2 o  101.878   4.9443   78.155   7.5103   80.069   10.109   75.798   11.220  102.501   6.6507   99.376   7.6306 3.124565 10.12220 
1 1 1   17   14    3 f  104.872   2.5092   82.206   3.9235   87.280   9.4391   81.147   4.3138  107.257   5.9255  104.163   2.7776 3.094185 6.544230 
1 1 1   17   14    4 o   44.997   4.7796   15.409   3.1575   16.922   7.4941   15.083   3.4816   45.576   11.126   44.394   5.3691 1.182457 12.35343 
1 1 1   17   14    5 o   25.632   6.5507   5.1807   2.5128   4.3586   7.3551   5.2893   2.6737   29.236   11.503   25.902   6.8269 3.334219 13.37649 
1 1 1   17   14    6 o  112.545   2.5919   94.731   4.3493   92.389   12.467   95.056   4.6409  109.535   7.6825  112.713   2.7616 -3.177895 8.163727 
1 1 1   17   14    7 o   89.570   3.0171   60.099   4.0292   50.422   12.355   61.251   4.2623   79.267   10.730   90.403   3.1622 -11.13634 11.18589 
1 1 1   17   14    8 o   73.673   3.3940   40.750   3.7281   39.932   8.0600   40.973   4.2050   71.538   7.6767   73.704   3.8398 -2.166855 8.583424 
1 1 1   17   14    9 o   71.998   3.5734   39.010   3.8359   43.206   7.7716   37.658   4.4107   74.459   7.0859   70.490   4.2160 3.968697 8.245309 
1 1 1   17   14   10 o   28.380   8.1093   6.5488   3.6026   4.0059   6.6785   7.5925   4.2784   27.199   10.878   30.424   8.8800 -3.225008 14.04199 
1 1 1   17   14   11 o   37.209   7.5166   11.363   4.0265   5.1060   6.9959   14.462   4.9238   28.215   11.181   41.775   8.1980 -13.55941 13.86476 
1 1 1   17   14   12 o   28.182   7.8368   6.7226   3.4124  -1.8364   6.1997   10.443   4.0872   20.454   9.2995   35.070   7.9945 -14.61542 12.26349 
1 1 1   17   14   13 f   27.907   9.1712   6.8832   4.4142  -9.8651   9.3541   11.681   5.0068   20.415   9.8970   35.866   9.2889 -15.45085 13.57331 
1 1 1   17   14   14 o   16.860   7.3119   0.4451   3.4014  -1.7793   6.5728   1.2587   3.9750   20.118   9.3034   18.839   8.0327 1.278479 12.29135 
1 1 1   17   15    0 o   57.461   13.178   28.732   9.8322   28.732   9.8322   28.732   9.8322   57.461   13.178   57.461   13.178 0.000000 0.000000 
1 1 1   17   15    1 o  115.638   4.6338  100.667   7.9894   99.803   10.843  101.693   11.817  114.476   6.3781  115.352   6.9026 -0.8754654 9.398205 
1 1 1   17   15    2 o   69.640   6.4957   37.161   6.6667   32.048   8.5831   44.936   10.585   63.713   9.3102   75.508   9.6205 -11.79560 13.38783 
1 1 1   17   15    3 o   30.837   11.078   6.5939   6.4858   5.1378   8.1628   9.0875   10.682   30.939   12.136   37.153   14.060 -6.214483 18.57287 
1 1 1   17   15    4 o   31.431   6.6663   7.7990   3.0272   10.437   10.844   7.5760   3.1525   38.479   14.246   30.915   7.0019 7.563936 15.87378 
1 1 1   17   15    5 o  102.994   3.3690   79.555   5.1735   73.793   11.870   80.907   5.7482   97.440   8.2478  103.798   3.7143 -6.358337 9.045506 
1 1 1   17   15    6 o   98.297   2.6983   72.336   3.9545   57.358   11.725   74.258   4.2006   85.119   9.3956   99.573   2.8294 -14.45421 9.812392 
1 1 1   17   15    7 o   74.266   3.2024   41.397   3.5459   33.076   8.0132   43.424   3.9542   64.591   8.5295   76.014   3.4889 -11.42312 9.215448 
1 1 1   17   15    8 o   36.123   6.1119   10.263   3.1743   11.736   7.3866   9.9293   3.5155   37.478   11.825   35.280   6.9305 2.197948 13.70640 
1 1 1   17   15    9 o   39.700   6.2378   12.447   3.5705   7.0034   6.7707   14.544   4.2023   30.684   11.275   42.763   6.8200 -12.07910 13.17735 
1 1 1   17   15   10 o   60.443   4.4527   28.040   3.9845   58.623   8.0918   18.251   4.5780   86.373   6.3275   47.840   6.5933 38.53297 9.138350 
1 1 1   17   15   11 o   23.111   8.4766   3.9340   3.8243   4.7182   6.3104   3.4789   4.8077   26.565   10.590   23.537   9.2877 3.027506 14.08607 
1 1 1   17   15   12 f   29.682   7.6226   7.5993   3.3910  -0.2249   6.6564   10.341   3.9407   21.893   9.8237   34.607   7.8212 -12.71449 12.55690 
1 1 1   17   15   13 o   43.079   6.6511   15.610   4.1345   12.538   7.1411   17.159   5.0708   34.514   11.672   44.143   7.9990 -9.629646 14.15016 
1 1 1   17   15   14 o   19.023   7.8000   2.1865   3.5340   2.2568   6.5706   2.1579   4.1920   22.384   9.9194   19.819   8.3401 2.565466 12.95965 
1 1 1   17   16    0 o   26.423   15.474   6.7519   10.216   6.7519   10.216   6.7519   10.216   26.423   15.474   26.423   15.474 0.000000 0.000000 
1 1 1   17   16    1 f   22.493   9.9194  -1.2873   6.4933   13.046   8.7202 -19.1257   9.7280   40.134   12.868   19.386   9.5429 20.74832 16.02053 
1 1 1   17   16    2 f   26.044   11.658  -2.7106   9.3155  -0.7866   11.707  -6.0320   15.382   30.436   13.374   31.925   14.566 -1.489153 19.77480 
1 1 1   17   16    3 o   48.058   12.772   19.474   9.3077   18.880   11.689   20.504   15.387   47.121   14.876   49.157   17.117 -2.035648 22.67783 
1 1 1   17   16    4 o   22.004   7.5270   3.4702   2.9699 -11.1322   11.750   4.4668   3.0696   25.128   11.881   24.151   7.6233 0.9771881 14.11641 
1 1 1   17   16    5 f   90.240   3.3324   61.152   4.4836   56.572   8.6419   62.839   5.2448   85.559   6.8314   91.365   3.8501 -5.806488 7.841637 
1 1 1   17   16    6 o   60.141   3.2947   27.261   2.9431   16.489   7.5004   29.221   3.1998   44.156   11.335   62.238   3.4619 -18.08153 11.85182 
1 1 1   17   16    7 o   80.963   2.8973   49.220   3.4974   38.310   7.6293   52.122   3.9353   69.700   7.4572   83.257   3.1702 -13.55759 8.103069 
1 1 1   17   16    8 o   63.606   3.8101   30.716   3.5967   35.478   7.3403   29.211   4.1259   66.727   7.5085   61.798   4.5090 4.929016 8.758334 
1 1 1   17   16    9 o   61.758   3.9337   29.110   3.6033   22.433   7.1890   31.350   4.1641   51.198   9.7744   63.917   4.3963 -12.71933 10.71754 
1 1 1   17   16   10 o   20.127   7.6898   2.6019   3.2146   12.556   6.7660  -0.3002   3.6533   36.740   11.274   17.000   7.4708 19.73945 13.52464 
1 1 1   17   16   11 o   18.783   7.4899   1.9701   3.1571   0.7221   6.3601   2.3782   3.6368   22.223   9.8080   20.144   8.0368 2.079683 12.68020 
1 1 1   17   16   12 o   47.247   5.5372   18.103   3.8266   15.106   9.4008   18.698   4.1894   36.155   13.286   47.682   6.0275 -11.52742 14.58912 
1 1 1   17   16   13 f   28.401   8.5438   7.6587   3.9127   3.8055   6.5521   9.7944   4.8779   23.752   10.224   31.294   9.5675 -7.541780 14.00266 
1 1 1   17   17    1 o   54.264   18.069   27.177   17.114   0.0000   0.0000   27.177   17.114  ?   ?    54.264   18.069 0.000000 18.06915 
1 1 1   17   17    2 o   69.836   8.1057   38.418   8.2830   30.708   9.5379   62.070   16.705   61.053   10.877   85.373   13.579 -24.32000 17.39801 
1 1 1   17   17    3 o  100.785   5.1473   77.356   7.7090   76.564   10.075   78.476   11.973   99.473   6.8348   99.985   8.1012 -0.5115662 10.59928 
1 1 1   17   17    4 o  113.362   2.8496   96.405   4.8163   88.113   9.9407   98.948   5.5057  106.938   6.2620  114.749   3.2181 -7.810875 7.040509 
1 1 1   17   17    5 o   96.930   3.2783   70.687   4.7378   56.264   9.0375   76.153   5.5636   84.736   7.2223  100.478   3.7138 -15.74235 8.121197 
1 1 1   17   17    6 o   19.785   7.4659   2.3830   3.0066   4.3552   7.0881   1.9503   3.3201   27.958   11.197   19.627   7.7266 8.330984 13.60441 
1 1 1   17   17    7 o   59.915   3.5333   27.235   3.1424   27.070   7.3506   27.272   3.4760   57.215   8.9065   59.837   3.9178 -2.621655 9.730075 
1 1 1   17   17    8 o   26.793   8.7227   5.8961   3.9965   6.8893   6.6728   5.3405   4.9906   29.677   11.138   26.489   9.6882 3.187122 14.76198 
1 1 1   17   17    9 o   68.981   3.5287   36.324   3.6171   26.490   7.5819   39.221   4.1157   54.937   9.6063   71.516   3.8743 -16.57905 10.35813 
1 1 1   17   17   10 o   45.169   4.8132   16.105   3.1916   15.228   6.4273   16.393   3.6770   39.921   10.615   45.157   5.5800 -5.236370 11.99213 
1 1 1   17   17   11 f   37.860   6.1550   11.928   3.3551   6.1712   6.9038   13.709   3.8389   27.013   10.969   40.330   6.6136 -13.31678 12.80829 
1 1 1   17   17   12 o   35.679   6.7427   11.059   3.4555   6.3342   6.4868   12.930   4.0830   26.145   10.626   38.067   7.4605 -11.92293 12.98360 
1 1 1   17   18    0 o   23.399   14.144   4.6964   9.0578   4.6964   9.0578   4.6964   9.0578   23.399   14.144   23.399   14.144 0.000000 0.000000 
1 1 1   17   18    1 o   44.215   10.661   16.564   6.9459   19.650   9.6549   13.253   10.000   47.045   13.218   39.580   13.798 7.465179 19.10732 
1 1 1   17   18    2 o   58.419   8.1024   27.345   6.8673   24.277   9.4990   30.705   9.9398   52.733   12.306   59.991   11.532 -7.257679 16.86471 
1 1 1   17   18    3 o   26.850   10.608   4.1369   6.2783   13.682   8.3462  -8.3032   9.5284   39.618   12.577   22.676   10.715 16.94255 16.52250 
1 1 1   17   18    4 o   58.930   3.4678   26.298   3.0335   31.506   7.7693   25.361   3.2950   62.228   8.6040   57.764   3.8479 4.464256 9.425208 
1 1 1   17   18    5 o   62.153   4.0757   29.467   3.7560   26.137   7.6280   30.533   4.3154   55.829   9.5044   63.070   4.6212 -7.240730 10.56833 
1 1 1   17   18    6 o   39.272   9.8100   13.414   5.7273   9.3294   6.9142   22.343   10.223   32.968   11.474   48.106   13.631 -15.13786 17.81753 
1 1 1   17   18    7 o   24.305   6.8698   4.8741   2.6000   3.3320   6.5940   5.1580   2.8293   25.436   10.564   24.947   7.2039 0.4883156 12.78618 
1 1 1   17   18    8 o   47.365   4.2775   17.427   2.9881   23.169   6.6076   15.950   3.3503   51.580   8.9144   44.925   5.0917 6.654984 10.26602 
1 1 1   17   18    9 o   18.652   7.2717   2.1913   2.9169   0.9599   6.2823   2.5296   3.2934   22.084   9.7472   19.758   7.7201 2.326887 12.43413 
1 1 1   17   18   10 o   23.326   7.9991   4.6978   3.3543   6.3725   9.0934   4.4340   3.6088   27.909   12.029   22.948   8.2614 4.961624 14.59310 
1 1 1   17   18   11 o   37.222   6.7132   12.039   3.5886   1.6161   9.0094   14.004   3.9124   23.815   10.970   40.152   6.7765 -16.33747 12.89437 
1 1 1   17   19    0 o  118.610   6.4092  107.558   11.259  107.558   11.259  107.558   11.259  118.610   6.4092  118.610   6.4092 0.000000 0.000000 
1 1 1   17   19    1 o   52.072   8.3224   22.254   6.2439   30.494   8.3661   11.893   9.3811   60.251   9.6378   36.942   13.318 23.30867 16.43921 
1 1 1   17   19    2 o   59.728   7.8279   28.940   6.8032   25.474   9.2472   33.030   10.044   53.253   11.941   61.291   11.411 -8.037838 16.51712 
1 1 1   17   19    3 o   55.019   7.6418   24.624   6.0994   34.890   8.0212   10.550   9.3918   65.053   8.4708   35.152   13.210 29.90098 15.69239 
1 1 1   17   19    4 o   40.822   9.6993   14.543   5.8162   26.398   7.6557  -1.6393   8.9445   55.465   9.6054   24.682   11.202 30.78301 14.75613 
1 1 1   17   19    5 o   50.241   4.5627   19.587   3.3806   13.582   7.2067   21.281   3.8278   38.041   11.629   52.194   4.9793 -14.15284 12.65021 
1 1 1   17   19    6 o   15.304   6.8703  -0.9442   3.2597  -5.6571   6.3713   0.7269   3.7939   18.169   8.6368   18.356   7.8376 -0.1864128 11.66292 
1 1 1   17   19    7 o   31.907   5.2571   8.2073   2.4139   5.3241   6.2932   8.7046   2.6138   26.437   10.564   32.745   5.5520 -6.308029 11.93409 
1 1 1   17   19    8 o   19.270   6.9891   2.8152   2.5894   3.6989   6.2830   2.6345   2.8419   24.275   10.213   19.220   7.2572 5.055288 12.52861 
1 1 1   17   19    9 o   27.604   7.2194   6.7611   3.0051   5.4047   6.8201   7.0878   3.3476   25.720   10.718   27.976   7.7559 -2.255411 13.22952 
1 1 1   17   19   10 o   18.443   7.3538   2.2984   3.0432   14.814   6.5225  -1.1842   3.4407   36.474   11.044   14.897   6.8316 21.57671 12.98654 
1 1 1   17   19   11 o   21.203   7.8310   4.0617   3.2726   0.3959   6.4639   5.3253   3.7950   20.047   9.2549   23.402   8.4652 -3.354961 12.54243 
1 1 1   17   20    0 o   41.312   15.544   18.701   8.9541   18.701   8.9541   18.701   8.9541   41.312   15.544   41.312   15.544 0.000000 0.000000 
1 1 1   17   20    1 o   54.110   7.7437   24.306   6.0693   23.520   8.4829   25.131   8.6872   50.204   11.570   52.011   11.507 -1.807274 16.31833 
1 1 1   17   20    2 o   65.998   6.5600   35.126   6.3696   39.655   9.0917   30.760   8.9264   67.797   9.2344   58.347   10.654 9.450718 14.09872 
1 1 1   17   20    3 o   39.110   9.9791   13.928   5.8381   15.502   7.8903   12.023   8.6784   39.640   12.176   35.106   12.786 4.534573 17.65602 
1 1 1   17   20    4 o   16.254   7.7756  -5.5892   5.3359  -6.6392   7.3622  -4.4273   7.7446   19.131   9.1465   20.794   9.7742 -1.663218 13.38633 
1 1 1   17   20    5 o   17.728   7.1089   1.6769   2.8608   6.0141   7.0271   0.8152   3.1321   27.513   11.103   16.978   7.1802 10.53579 13.22248 
1 1 1   17   20    6 o   12.560   5.9741  -3.1771   3.0574   3.1090   6.1074  -5.2791   3.5318   23.555   9.9978   12.364   6.0139 11.19168 11.66718 
1 1 1   17   20    7 o   24.345   8.1083   5.2688   3.4461   12.149   6.5665   2.6535   4.0485   33.880   11.188   20.559   8.3797 13.32079 13.97841 
1 1 1   17   20    8 o   48.558   4.1426   18.647   2.9705   21.564   7.2121   18.051   3.2599   45.445   10.803   47.408   4.6726 -1.962818 11.76991 
1 1 1   17   20    9 o   38.941   5.3824   12.664   3.0415   6.4429   6.3005   14.554   3.4730   25.423   10.418   41.460   5.7750 -16.03693 11.91195 
1 1 1   17   20   10 o   21.825   7.8278   4.5051   3.2370   13.747   9.4293   3.2705   3.4464   29.855   12.533   19.827   7.8510 10.02731 14.78892 
1 1 1   17   21    0 o   37.493   14.661   15.981   7.8357   15.981   7.8357   15.981   7.8357   37.493   14.661   37.493   14.661 0.000000 0.000000 
1 1 1   17   21    1 o   24.442   9.9933   4.0620   5.7801  -9.9224   8.4812   16.191   7.8986   19.045   9.2764   39.247   12.204 -20.20192 15.32939 
1 1 1   17   21    2 o   24.660   10.045   4.3256   5.8139   6.3683   8.0557   2.1051   8.3992   28.061   11.667   24.975   11.133 3.085714 16.12623 
1 1 1   17   21    3 o   32.945   10.081   10.550   5.4140   21.813   7.7278  -0.3060   7.5873   46.545   11.258   22.408   10.226 24.13711 15.20949 
1 1 1   17   21    4 o   14.986   7.2818  -6.6731   5.1420 -15.4703   7.2497   2.2323   7.2942   15.250   7.6276   23.645   10.466 -8.395403 12.95066 
1 1 1   17   21    5 o   15.667   6.4722   1.0629   2.4564  -6.7757   7.0035   2.1625   2.6231   17.815   8.6190   17.865   6.9150 -0.5009651E-01 11.05004 
1 1 1   17   21    6 o   16.917   7.2626   0.8884   3.2896  -3.1288   8.1396   1.6727   3.5965   20.614   9.7881   18.413   7.7356 2.200495 12.47585 
1 1 1   17   21    7 o   43.263   3.5366   14.664   2.2613   1.9253   6.5519   16.386   2.4093   21.664   9.7317   45.731   3.5616 -24.06749 10.36301 
1 1 1   17   21    8 o   38.477   4.7608   12.189   2.6729   9.2520   6.4606   12.796   2.9360   27.850   10.832   39.124   5.1590 -11.27425 11.99771 
1 1 1   17   22    0 o   16.551   11.018  -0.4641   7.3287  -0.4641   7.3287  -0.4641   7.3287   16.551   11.018   16.551   11.018 0.000000 0.000000 
1 1 1   17   22    1 o   22.953   9.5576   3.7830   5.4181   10.793   7.7074  -3.0659   7.6182   30.921   11.885   20.219   9.5620 10.70210 15.25383 
1 1 1   17   22    2 f   16.416   7.8141  -3.9350   5.2507  -2.4853   7.2048  -5.5771   7.6682   19.971   9.4001   19.010   9.1524 0.9617977 13.11978 
1 1 1   17   22    3 o   46.187   9.2264   20.639   6.1313   22.602   9.8201   19.386   7.8493   41.162   13.686   40.771   12.064 0.3906937 18.24464 
1 1 1   17   22    4 o   18.676   8.9682  -4.5486   7.2498  -8.3481   9.7848   0.0759   10.795   19.852   9.7320   23.719   11.265 -3.866877 14.88694 
1 1 1   17   22    5 o   26.696   10.128   7.6402   5.5524   16.195   7.6091  -2.1031   8.1202   35.695   12.049   20.457   9.7319 15.23807 15.48827 
1 1 1   17   22    6 o   33.096   6.6827   9.8859   3.1840   7.9467   6.5705   10.481   3.6400   26.252   10.685   33.344   7.5029 -7.092119 13.05614 
1 1 1   17   22    7 o   21.899   7.9697   4.6774   3.3711  -3.5922   6.6081   7.5867   3.9195   17.515   8.4490   26.760   8.6322 -9.244455 12.07891 
1 1 1   17   23    0 f   17.757   11.475   1.9996   7.1102   1.9996   7.1102   1.9996   7.1102   17.757   11.475   17.757   11.475 0.000000 0.000000 
1 1 1   17   23    1 o   19.760   8.7749   1.6643   5.1678   2.8040   7.5832   0.6759   7.0614   22.477   10.245   20.774   9.6195 1.703623 14.05304 
1 1 1   17   23    2 o   36.859   9.6581   14.527   5.3716   33.551   7.8981  -1.8458   7.3271   56.938   9.6483   19.508   9.2698 37.42974 13.37976 
1 1 1   17   23    3 o   22.796   9.3818   4.9603   5.1364   7.6792   7.0872   1.9522   7.4546   25.671   10.826   21.520   9.9363 4.151102 14.69436 
1 1 1   17   23    4 o   24.317   9.8607   6.5345   5.5716   2.4495   7.8434   10.695   7.9158   21.717   10.085   27.641   11.535 -5.923910 15.32160 
1 1 1   17   23    5 o   19.524   9.2582  -0.1796   7.2347  -0.1796   7.2347   0.0000   0.0000   19.524   9.2582  ?   ?  0.000000 9.258160 
1 1 1   17   24    0 o   14.073   9.8082  -3.9092   7.4249  -3.9092   7.4249  -3.9092   7.4249   14.073   9.8082   14.073   9.8082 0.000000 0.000000 
1 1 1   17   24    1 o   26.753   10.186   9.3671   5.6282   9.3620   7.8787   9.3723   8.0427   25.269   11.041   25.215   11.083 0.5457878E-01 15.64378 
1 1 1   17   24    2 o   27.207   10.096   9.7028   5.4527   12.195   7.7105   7.2095   7.7122   27.501   11.422   23.538   10.567 3.963713 15.56057 
1 1 1   18    1    0 o   71.679   4.9356   38.869   5.2173   38.869   5.2173   38.869   5.2173   71.679   4.9356   71.679   4.9356 0.000000 0.000000 
1 1 1   18    1    1 o  477.986   2.5575  1703.90   18.226  1702.62   25.554  1705.22   26.005  477.716   3.5877  478.073   3.6483 -0.3574219 5.116741 
1 1 1   18    1    2 o  275.809   2.0758  567.253   8.5364  579.536   11.811  553.818   12.352  278.746   2.8418  272.480   3.0404 6.265472 4.161737 
1 1 1   18    1    3 f   64.257   3.5192   30.899   3.3587   33.279   4.3802   27.503   5.2326   66.621   4.4351   60.382   5.8871 6.239452 7.370761 
1 1 1   18    1    4 o  188.593   2.1619  265.247   6.0791  259.508   8.8859  270.295   8.3348  186.501   3.1956  190.350   2.9368 -3.848679 4.340118 
1 1 1   18    1    5 o  146.751   2.1608  160.615   4.7278  162.717   6.6320  158.442   6.7415  147.678   3.0120  145.721   3.1029 1.956879 4.324351 
1 1 1   18    1    6 o   76.418   2.9735   43.576   3.3880   47.215   4.8215   40.026   4.7616   79.407   4.0863   73.067   4.3912 6.339226 5.998398 
1 1 1   18    1    7 o   64.769   3.7203   31.432   3.5776   29.085   4.4717   35.606   5.9632   62.179   4.8622   68.708   5.8776 -6.529522 7.628058 
1 1 1   18    1    8 o   40.709   5.4470   12.628   3.2232   16.225   4.3033   8.0310   4.8648   46.069   6.4411   32.317   9.4795 13.75194 11.46073 
1 1 1   18    1    9 o   85.619   2.9475   54.732   3.7626   55.114   5.3386   54.356   5.3037   85.850   4.1707   85.258   4.1723 0.5928192 5.899445 
1 1 1   18    1   10 o   80.977   3.0474   48.977   3.6793   45.907   5.4053   51.628   5.0225   78.161   4.6594   83.079   4.0547 -4.917557 6.176645 
1 1 1   18    1   11 o   27.137   8.1057   5.6431   3.5310   21.801   8.3470   2.1215   3.8968   52.395   11.033   21.459   8.3940 30.93651 13.86351 
1 1 1   18    1   12 o   96.945   2.9594   70.229   4.2776   66.835   6.1040   73.504   5.9962   94.445   4.3347   99.076   4.0592 -4.630386 5.938603 
1 1 1   18    1   13 o   30.743   7.7177   7.4477   3.5323   8.5051   5.6236   6.7587   4.5394   33.240   10.291   29.765   9.2513 3.475080 13.83822 
1 1 1   18    1   14 o  190.015   2.3279  269.689   6.5952  270.678   12.612  269.317   7.7374  189.872   4.4551  189.814   2.7340 0.5815125E-01 5.227068 
1 1 1   18    1   15 o  114.130   2.7020   97.448   4.5978  103.742   8.0100   94.355   5.6150  117.371   4.5772  112.197   3.3566 5.174980 5.676062 
1 1 1   18    1   16 o   57.684   5.0241   25.429   4.2779   14.077   7.0975   31.907   5.3611   40.944   11.270   64.471   5.6338 -23.52644 12.60009 
1 1 1   18    1   17 o   79.803   3.4852   48.093   4.1469   48.468   6.5407   47.841   5.3625   79.150   5.5782   79.110   4.5658 0.4015350E-01 7.208494 
1 1 1   18    1   18 o   22.835   7.8477   4.0449   3.2293   6.8694   5.7544   2.7465   3.9016   28.984   10.432   21.443   8.3961 7.540426 13.39144 
1 1 1   18    1   19 o   19.872   7.7307   2.5327   3.2914  -2.8426   5.9428   4.9112   3.9531   18.957   8.7946   24.442   8.6627 -5.484993 12.34447 
1 1 1   18    2    0 o  397.564   3.3190  1178.94   19.671  1178.94   19.671  1178.94   19.671  397.564   3.3190  397.564   3.3190 0.000000 0.000000 
1 1 1   18    2    1 o  130.463   2.3473  126.936   4.5658  128.436   6.1608  125.108   6.8006  131.211   3.1492  129.488   3.5225 1.722488 4.724942 
1 1 1   18    2    2 o  167.214   2.2882  208.525   5.7048  213.793   7.8460  202.617   8.3095  169.285   3.1085  164.790   3.3820 4.495148 4.593591 
1 1 1   18    2    3 o  169.351   2.5159  213.915   6.3525  223.032   8.1053  199.396   10.228  172.897   3.1442  163.428   4.1976 9.469574 5.244604 
1 1 1   18    2    4 o  439.404   2.4455  1440.15   16.022  1439.83   22.438  1440.48   22.884  439.239   3.4262  439.328   3.4936 -0.8911133E-01 4.893311 
1 1 1   18    2    5 o   78.725   2.8567   46.242   3.3531   49.246   4.6547   43.002   4.8344   81.213   3.8441   75.754   4.2980 5.459656 5.766222 
1 1 1   18    2    6 o  146.408   2.1255  159.886   4.6398  160.101   6.4981  159.663   6.6272  146.466   2.9756  146.262   3.0390 0.2040100 4.253194 
1 1 1   18    2    7 o   34.316   5.8675   9.0677   2.8942   10.471   4.0531   7.6081   4.1342   36.649   7.6640   31.292   8.5967 5.356773 11.51697 
1 1 1   18    2    8 o   96.097   2.6548   68.924   3.8037   70.364   5.4408   67.548   5.3199   97.037   3.7605   95.076   3.7528 1.961060 5.312764 
1 1 1   18    2    9 o  253.689   2.3797  480.305   9.0011  482.006   11.584  477.711   14.300  254.047   3.0582  252.790   3.7941 1.257156 4.873141 
1 1 1   18    2   10 o  151.253   2.1352  170.721   4.8152  176.495   7.5372  166.739   6.2590  153.682   3.2894  149.423   2.8094 4.259430 4.325874 
1 1 1   18    2   11 o  194.326   2.2600  281.885   6.5482  287.962   11.444  278.927   7.9842  196.153   3.9132  193.240   2.7712 2.913086 4.795040 
1 1 1   18    2   12 o   59.871   3.9110   26.952   3.4720   31.443   5.3858   23.759   4.5417   64.407   5.6662   55.946   5.5166 8.460823 7.908105 
1 1 1   18    2   13 o   94.739   3.0336   67.108   4.2850   81.198   6.8811   58.182   5.4765  104.038   4.4360   88.099   4.1693 15.93890 6.087804 
1 1 1   18    2   14 o   68.812   4.2576   35.686   4.3467   31.172   7.9594   37.605   5.1888   63.194   8.6766   70.510   4.9674 -7.316063 9.997939 
1 1 1   18    2   15 o   58.521   4.1409   25.894   3.5897   24.879   6.0982   26.432   4.4406   56.490   7.4198   58.917   5.1056 -2.426991 9.006678 
1 1 1   18    2   16 o   19.833   7.6808   2.1129   3.2376   1.0812   5.5895   2.6338   3.9718   22.755   9.6059   21.913   8.5013 0.8421307 12.82751 
1 1 1   18    2   17 o   62.146   3.8456   29.405   3.5457   35.942   6.2113   26.245   4.3185   67.643   6.2287   58.269   5.0198 9.373524 7.999661 
1 1 1   18    2   18 o   18.022   7.4085   1.2787   3.1983  -0.5984   5.1361   2.4677   4.0876   19.615   8.7274   21.211   8.5003 -1.595709 12.18287 
1 1 1   18    3    0 o   89.816   4.2120   60.572   5.6121   60.572   5.6121   60.572   5.6121   89.816   4.2120   89.816   4.2120 0.000000 0.000000 
1 1 1   18    3    1 o  183.810   2.2810  251.984   6.2513  254.669   8.5425  248.888   9.1723  184.753   3.1011  182.630   3.3685 2.122360 4.578635 
1 1 1   18    3    2 o  168.678   2.5879  212.234   6.5083  212.701   8.6647  211.630   9.8588  168.824   3.4423  168.372   3.9272 0.4522552 5.222293 
1 1 1   18    3    3 o  267.056   2.0463  531.892   8.1477  523.901   11.117  541.164   11.976  264.995   2.8138  269.312   2.9825 -4.317688 4.100307 
1 1 1   18    3    4 o  255.423   2.7041  486.746   10.298  486.563   14.061  486.958   15.124  255.287   3.6942  255.361   3.9722 -0.7420349E-01 5.424570 
1 1 1   18    3    5 o  203.202   2.0099  307.975   6.0894  312.180   8.4713  303.479   8.7593  204.539   2.7778  201.659   2.9133 2.879898 4.025368 
1 1 1   18    3    6 o  153.208   2.3411  175.123   5.3477  181.016   6.8094  165.639   8.6384  155.730   2.9327  148.900   3.8911 6.830154 4.872476 
1 1 1   18    3    7 o  189.099   2.4924  266.846   7.0272  270.719   10.670  263.879   9.3385  190.344   3.7597  187.970   3.3321 2.373566 5.023788 
1 1 1   18    3    8 o  104.367   2.5055   81.297   3.8988   85.388   5.6672   77.620   5.3721  106.898   3.5557  101.921   3.5352 4.976402 5.014038 
1 1 1   18    3    9 o   93.093   2.7550   64.710   3.8239   67.860   6.8958   63.312   4.5951   95.045   4.8826   92.047   3.3482 2.998444 5.920346 
1 1 1   18    3   10 o  140.371   2.1822  147.060   4.5671  145.648   7.1507  148.033   5.9354  139.576   3.4361  140.779   2.8278 -1.203278 4.450064 
1 1 1   18    3   11 o  166.115   2.3577  206.027   5.8394  199.388   8.3571  212.360   8.1626  163.277   3.4329  168.534   3.2484 -5.256363 4.726195 
1 1 1   18    3   12 o   98.472   2.8004   72.460   4.1116   77.863   6.4301   68.724   5.3476  101.922   4.2314   95.810   3.7435 6.111649 5.649637 
1 1 1   18    3   13 o  139.440   2.6730  145.309   5.5572  153.469   8.1932  138.357   7.5628  143.113   3.8397  135.904   3.7323 7.209595 5.354792 
1 1 1   18    3   14 o   41.124   6.3737   13.119   3.7815   12.138   5.9236   13.794   4.9129   38.766   10.135   41.727   8.1891 -2.961460 13.02971 
1 1 1   18    3   15 o  100.654   3.0486   75.961   4.5750   76.988   7.1830   75.260   5.9345  100.913   4.7741   99.986   3.9808 0.9268494 6.215996 
1 1 1   18    3   16 o   38.591   6.1533   11.743   3.4216   12.586   5.5129   11.214   4.3637   38.757   9.5921   37.028   8.1271 1.729027 12.57211 
1 1 1   18    3   17 o   42.513   5.2818   14.161   3.2758   15.279   5.3097   13.474   4.1624   42.595   8.6558   40.681   7.1220 1.914116 11.20918 
1 1 1   18    3   18 o   54.916   4.1482   23.303   3.3715   17.730   5.5709   26.524   4.2351   45.350   8.5527   58.199   4.9269 -12.84854 9.870306 
1 1 1   18    4    0 o   20.609   10.101   4.6765   3.6833   4.6765   3.6833   4.6765   3.6833   20.609   10.101   20.609   10.101 0.000000 0.000000 
1 1 1   18    4    1 o  118.282   2.2989  104.354   4.0542  105.314   5.4180  103.133   6.1116  118.799   3.0588  117.546   3.4872 1.253204 4.638632 
1 1 1   18    4    2 o  148.619   2.3235  164.755   5.1486  165.313   6.2173  163.536   9.1847  148.851   2.8014  147.973   4.1631 0.8775787 5.017876 
1 1 1   18    4    3 o  147.147   2.0933  161.497   4.5926  165.137   6.2206  157.136   6.8089  148.767   2.8045  145.101   3.1473 3.665848 4.215533 
1 1 1   18    4    4 o  337.238   2.1912  848.361   11.018  839.961   15.093  857.943   16.120  335.473   3.0175  339.021   3.1891 -3.548767 4.390435 
1 1 1   18    4    5 o   57.354   3.8194   24.683   3.2474   23.215   3.9926   27.552   5.5819   55.498   4.8746   60.298   6.3018 -4.800945 7.967113 
1 1 1   18    4    6 o   57.331   3.6399   24.654   3.0953   26.723   4.2804   22.387   4.4813   59.562   4.8624   54.377   5.6079 5.184868 7.422358 
1 1 1   18    4    7 o  107.263   2.7582   85.890   4.4111   80.969   7.3366   88.675   5.5203  104.006   4.7312  108.949   3.3983 -4.943573 5.825189 
1 1 1   18    4    8 o  148.936   2.0422  165.506   4.5349  169.465   7.1050  162.784   5.8908  150.617   3.1639  147.661   2.6757 2.955414 4.143614 
1 1 1   18    4    9 f  100.107   2.4532   74.814   3.6616   74.400   5.5957   75.124   4.8423   99.735   3.7630  100.263   3.2392 -0.5273056 4.965141 
1 1 1   18    4   10 o   18.557   7.3523   1.4218   3.0241   2.9203   5.2147   0.6625   3.7121   24.825   9.7104   19.031   7.9167 5.793861 12.52859 
1 1 1   18    4   11 o  104.332   2.6583   81.317   4.1352   73.819   6.3678   86.785   5.4379   99.238   4.3037  107.713   3.3860 -8.474861 5.476008 
1 1 1   18    4   12 o   54.682   4.4198   22.576   3.5726   20.431   5.5065   24.135   4.6950   51.400   7.3985   56.331   5.6669 -4.931206 9.319438 
1 1 1   18    4   13 o   64.867   4.3313   31.732   4.1650   39.313   7.5373   28.399   4.9972   71.581   7.1583   61.118   5.5441 10.46229 9.054250 
1 1 1   18    4   14 o  129.744   2.6531  125.940   5.1324  130.796   8.1064  122.692   6.6305  131.890   4.1224  127.897   3.4771 3.993690 5.392973 
1 1 1   18    4   15 o   66.390   4.6899   33.536   4.6125   33.743   7.3383   33.401   5.9304   65.525   7.6556   65.797   6.1151 -0.2718048 9.798127 
1 1 1   18    4   16 o   27.201   8.0958   6.0222   3.5270   22.001   5.6378  -4.2531   4.5210   52.382   7.4268   15.840   7.4528 36.54128 10.52148 
1 1 1   18    4   17 o   26.825   7.9178   6.0126   3.3846   0.3679   5.2361   10.064   4.4359   20.795   9.0451   34.240   8.6780 -13.44526 12.53481 
1 1 1   18    4   18 o   22.778   7.7634   4.2225   3.1592   8.0562   5.1026   1.8394   4.0231   29.824   9.8633   20.005   8.2750 9.818516 12.87482 
1 1 1   18    5    0 o   66.031   4.1145   32.909   4.0147   32.909   4.0147   32.909   4.0147   66.031   4.1145   66.031   4.1145 0.000000 0.000000 
1 1 1   18    5    1 o  189.497   1.9805  267.829   5.5956  266.171   7.6431  269.743   8.2145  188.870   2.7142  190.121   2.8979 -1.251114 3.970436 
1 1 1   18    5    2 f  207.475   2.0828  321.081   6.4430  319.319   8.3232  323.717   10.177  206.866   2.6986  208.240   3.2780 -1.373566 4.245862 
1 1 1   18    5    3 f  117.371   2.2559  102.769   3.9477  106.812   5.2656   97.581   5.9654  119.627   2.9522  114.313   3.5001 5.313553 4.578852 
1 1 1   18    5    4 o  116.823   2.4197  101.831   4.2147   96.426   5.1476  112.823   7.3411  113.652   3.0378  122.873   4.0071 -9.221222 5.028460 
1 1 1   18    5    5 o   56.875   3.5605   24.259   3.0040   20.361   3.8592   30.254   4.7855   51.909   5.0503   63.365   5.1087 -11.45581 7.183618 
1 1 1   18    5    6 o  145.882   2.2772  158.803   4.9530  163.377   6.6401  153.065   7.4366  147.916   3.0109  143.132   3.4847 4.784348 4.605286 
1 1 1   18    5    7 o  130.439   2.0752  126.951   4.0359  130.656   6.2174  124.253   5.3056  132.253   3.1531  129.002   2.7584 3.250580 4.189372 
1 1 1   18    5    8 o   78.798   2.9721   46.382   3.4918   46.155   5.9330   46.502   4.3191   78.287   5.1110   78.859   3.6735 -0.5712280 6.294147 
1 1 1   18    5    9 o  150.363   2.1368  168.746   4.7904  171.486   7.4564  166.820   6.2512  151.455   3.3020  149.439   2.8056 2.016342 4.332973 
1 1 1   18    5   10 o   85.761   2.8968   54.963   3.7040   59.055   5.8384   52.207   4.7918   88.754   4.4120   83.505   3.8487 5.248375 5.854782 
1 1 1   18    5   11 o  136.650   2.3272  139.445   4.7415  138.608   7.4120  140.025   6.1688  136.069   3.6535  136.853   3.0232 -0.7844543 4.742165 
1 1 1   18    5   12 o   51.289   4.6259   19.916   3.4994   12.039   5.4609   25.403   4.5583   38.821   9.5098   57.844   5.3458 -19.02299 10.90935 
1 1 1   18    5   13 o   86.937   3.2259   56.601   4.1814   57.542   6.8978   56.054   5.2575   87.160   5.3336   86.399   4.0813 0.7606506 6.716018 
1 1 1   18    5   14 o   90.008   3.1389   60.745   4.2125   52.790   6.5459   66.368   5.5034   83.306   5.2977   93.929   3.9297 -10.62300 6.596115 
1 1 1   18    5   15 o   48.755   5.4709   18.378   3.9083   14.653   6.7401   20.265   4.7972   41.567   10.783   50.881   6.4699 -9.313454 12.57532 
1 1 1   18    5   16 o   15.554   6.9398  -0.9564   3.2717  -0.2773   5.1971  -1.4023   4.2109   20.343   8.9259   17.329   7.7917 3.013998 11.84826 
1 1 1   18    5   17 o   63.360   4.3553   31.013   4.0894   23.926   6.5837   35.465   5.2181   52.995   8.6292   67.258   5.2450 -14.26314 10.09813 
1 1 1   18    5   18 o   18.645   7.6116   1.7524   3.3470  -4.4898   6.3642   4.1390   3.9351   18.468   8.7356   22.985   8.5676 -4.517052 12.23579 
1 1 1   18    6    0 o  160.253   2.8295  191.724   6.7559  191.724   6.7559  191.724   6.7559  160.253   2.8295  160.253   2.8295 0.000000 0.000000 
1 1 1   18    6    1 o  138.771   2.4033  143.685   4.9725  151.256   5.7615  121.580   9.8448  142.364   2.7143  127.453   5.1807 14.91048 5.848669 
1 1 1   18    6    2 o   23.769   9.3036   2.5608   4.7893   1.1337   6.1915   4.6870   7.5571   24.615   10.231   30.432   11.749 -5.816406 15.57887 
1 1 1   18    6    3 o   79.953   3.2319   47.736   3.8526   49.452   4.0107   27.240   13.859   81.374   3.3057   58.288   15.627 23.08624 15.97318 
1 1 1   18    6    4 o   87.580   2.6055   57.249   3.4022   53.921   4.3881   62.264   5.3871   84.958   3.4642   91.265   3.9590 -6.307129 5.260593 
1 1 1   18    6    5 o  188.677   2.5172  265.703   7.0813  264.455   7.9311  270.609   15.724  188.204   2.8264  189.972   5.5516 -1.768082 6.229642 
1 1 1   18    6    6 o  198.779   1.8967  294.786   5.6213  287.463   8.4584  300.579   7.5231  196.198   2.8915  200.667   2.5145 -4.468216 3.831898 
1 1 1   18    6    7 o  159.085   2.1429  188.867   5.0828  184.327   8.6425  191.267   6.2845  156.999   3.6921  160.050   2.6336 -3.050537 4.535110 
1 1 1   18    6    8 o   52.520   3.7931   20.745   2.9502   20.597   4.5719   20.851   3.8619   51.987   6.0091   52.486   4.9953 -0.4986305 7.814193 
1 1 1   18    6    9 o   84.798   2.7914   53.726   3.5293   57.616   5.5094   51.018   4.5961   87.690   4.2139   82.562   3.7337 5.128769 5.630036 
1 1 1   18    6   10 o  194.692   2.1258  282.979   6.1709  276.568   9.3452  287.935   8.2170  192.291   3.2596  196.287   2.8077 -3.996063 4.302106 
1 1 1   18    6   11 o   46.027   5.0121   16.111   3.3840   14.682   5.3280   17.078   4.3811   43.125   8.5880   47.122   6.4015 -3.996307 10.71136 
1 1 1   18    6   12 o   39.309   6.9773   12.072   3.9396   7.3749   7.1602   14.111   4.7178   32.593   11.647   42.385   7.7512 -9.791561 13.99065 
1 1 1   18    6   13 o   51.751   4.9955   20.398   3.8066   32.031   6.0556   12.798   4.8946   64.595   6.3707   40.013   8.4684 24.58114 10.59714 
1 1 1   18    6   14 o   96.919   3.4454   70.602   4.9787   77.265   7.0582   64.004   7.0238  101.039   4.6853   91.678   5.1595 9.361458 6.969347 
1 1 1   18    6   15 o   25.425   8.3356   5.0557   3.6473  -7.0514   6.2886   11.193   4.4773   17.873   8.5196   36.824   8.3475 -18.95075 11.92750 
1 1 1   18    6   16 o   26.323   7.8615   5.7430   3.3215   7.6227   5.2319   4.4740   4.2990   29.996   9.9907   24.582   8.9917 5.414276 13.44116 
1 1 1   18    6   17 o   21.887   7.7609   3.7132   3.1732   3.6253   4.9418   3.7748   4.1393   23.555   9.3777   22.920   8.7333 0.6350193 12.81457 
1 1 1   18    7    0 o   41.338   5.0756   13.327   3.0019   13.327   3.0019   13.327   3.0019   41.338   5.0756   41.338   5.0756 0.000000 0.000000 
1 1 1   18    7    1 o  132.132   2.0149  130.246   3.9694  130.758   5.3216  129.604   5.9596  132.354   2.6967  131.747   3.0339 0.6075287 4.059180 
1 1 1   18    7    2 o  195.067   2.2934  283.935   6.6701  293.568   7.8627  259.211   12.597  198.316   2.6592  186.124   4.5394 12.19205 5.260931 
1 1 1   18    7    3 o   32.659   9.3134   8.2821   4.7567   5.1027   6.2075   12.805   7.4035   29.119   10.779   40.452   11.645 -11.33267 15.86825 
1 1 1   18    7    4 o   72.511   2.8836   39.261   3.1175   38.937   3.9704   39.783   5.0343   72.077   3.7071   72.745   4.6662 -0.6681213 5.959557 
1 1 1   18    7    5 f  120.684   2.0501  108.675   3.6889  109.645   5.5768  107.920   4.9187  121.152   3.0873  120.221   2.7441 0.9308167 4.130605 
1 1 1   18    7    6 f   75.966   2.7464   43.097   3.1107   47.961   5.2502   40.467   3.8615   79.905   4.4242   73.570   3.5203 6.335114 5.653856 
1 1 1   18    7    7 o  161.531   2.0001  194.717   4.8171  193.277   7.3600  195.796   6.3713  160.821   3.0695  161.916   2.6392 -1.095642 4.048083 
1 1 1   18    7    8 o   53.458   4.2500   21.548   3.3595   18.629   6.4342   22.642   3.9391   48.650   9.2076   54.712   4.8801 -6.061573 10.42090 
1 1 1   18    7    9 o  172.564   2.4265  222.404   6.2431  212.887   9.3801  229.972   8.3651  168.619   3.7310  175.356   3.1995 -6.736679 4.915002 
1 1 1   18    7   10 o   91.341   3.1639   62.409   4.3088   63.745   6.0012   60.987   6.1902   92.173   4.3669   90.005   4.6285 2.167725 6.363389 
1 1 1   18    7   11 o   44.380   5.4076   15.057   3.5042   15.828   5.5431   14.543   4.5227   44.753   8.6199   43.182   7.2838 1.571758 11.28524 
1 1 1   18    7   12 o   46.309   6.2626   16.551   4.2131   4.8830   12.029   18.182   4.4980   34.934   14.365   48.548   6.3677 -13.61423 15.71304 
1 1 1   18    7   13 o   66.063   3.9673   32.956   3.8896   38.821   6.0536   28.833   5.0761   71.245   5.7478   61.374   5.6091 9.870335 8.031162 
1 1 1   18    7   14 o   42.828   7.8994   14.773   4.8583   11.915   6.5439   18.283   7.2520   37.590   10.985   46.554   10.675 -8.963898 15.31797 
1 1 1   18    7   15 o   11.487   5.6604  -7.0221   3.4513   3.1791   5.8407 -12.4948   4.2780   24.892   10.095   11.256   5.6618 13.63608 11.57468 
1 1 1   18    7   16 o   61.677   4.7089   29.541   4.2976   36.170   8.1199   26.962   5.0651   65.518   8.5135   58.242   5.9149 7.275921 10.36657 
1 1 1   18    7   17 o   19.454   7.7467   2.2377   3.3730  -0.8489   4.7824   5.2929   4.7579   18.379   8.2800   25.356   9.4269 -6.976938 12.54686 
1 1 1   18    8    0 o   56.609   3.4354   24.176   2.8751   24.176   2.8751   24.176   2.8751   56.609   3.4354   56.609   3.4354 0.000000 0.000000 
1 1 1   18    8    1 o   35.162   3.6504   9.3407   1.8859   12.433   2.3976   4.3239   3.0540   40.575   4.0160   24.102   7.6034 16.47297 8.598862 
1 1 1   18    8    2 o   60.329   2.6971   27.174   2.4260   29.907   3.1147   22.958   3.8682   63.180   3.3182   55.163   4.7495 8.016426 5.793780 
1 1 1   18    8    3 o  134.520   2.0742  135.027   4.1602  136.236   5.5667  133.499   6.2609  135.072   2.7642  133.676   3.1413 1.395523 4.184338 
1 1 1   18    8    4 o   65.406   2.6855   31.945   2.6189   30.441   3.7830   33.328   3.6292   63.660   4.0061   66.660   3.6656 -3.000629 5.430044 
1 1 1   18    8    5 o   55.319   3.3473   22.959   2.7478   22.859   4.4814   23.020   3.4784   54.892   5.5519   55.285   4.2526 -0.3924370 6.993472 
1 1 1   18    8    6 o   33.390   5.9786   8.6386   2.8671   6.3763   3.6368   12.353   4.6603   28.627   8.1367   39.659   8.1538 -11.03165 11.51907 
1 1 1   18    8    7 o  156.329   2.4110  182.496   5.6195  183.534   13.393  182.275   6.1909  156.152   5.7523  156.205   2.6582 -0.5264282E-01 6.336845 
1 1 1   18    8    8 o   67.797   3.7643   34.525   3.7902   33.966   8.6980   34.657   4.2110   66.075   9.0682   67.867   4.1819 -1.792389 9.985983 
1 1 1   18    8    9 o   72.892   3.3435   39.762   3.6337   39.928   6.0203   39.667   4.5575   72.583   5.6065   72.601   4.2287 -0.1721191E-01 7.022403 
1 1 1   18    8   10 o  139.687   2.6212  145.835   5.4592  147.624   7.5116  143.831   7.9478  140.386   3.5887  138.521   3.8482 1.864639 5.261901 
1 1 1   18    8   11 o   63.849   3.9987   30.718   3.7875   39.091   5.7401   24.261   5.0404   71.769   5.4040   56.284   6.1041 15.48442 8.152486 
1 1 1   18    8   12 o   72.988   3.7937   40.128   4.1142   36.029   6.2343   43.290   5.4759   68.561   6.1646   75.566   4.8864 -7.005432 7.866340 
1 1 1   18    8   13 o   45.017   5.4220   15.634   3.5660   11.576   5.6425   18.332   4.6014   37.422   9.9435   48.454   6.5360 -11.03231 11.89930 
1 1 1   18    8   14 o   71.249   4.3517   38.712   4.6006   44.162   7.1722   34.901   5.9969   75.135   6.4653   66.926   6.0760 8.209167 8.872342 
1 1 1   18    8   15 o   25.940   7.9784   5.5533   3.3862  -2.9278   5.3788   11.122   4.3583   18.366   8.4662   36.286   8.2434 -17.91973 11.81651 
1 1 1   18    8   16 o   29.039   9.0759   7.4300   4.3621   3.4448   6.4635   10.763   5.9113   24.957   10.419   33.973   10.557 -9.016026 14.83272 
1 1 1   18    8   17 o   36.662   6.9935   11.509   3.6833   8.7293   6.1948   13.030   4.5810   29.891   10.815   38.103   8.2988 -8.211784 13.63209 
1 1 1   18    9    0 o   81.815   9.2305   52.161   10.891   52.161   10.891   52.161   10.891   81.815   9.2305   81.815   9.2305 0.000000 0.000000 
1 1 1   18    9    1 o   81.091   5.6006   49.613   6.7299   44.692   8.2246   59.583   11.707   76.617   7.2876   88.123   9.0382 -11.50569 11.61021 
1 1 1   18    9    2 o  104.131   2.4852   80.956   3.8584   81.747   4.0460   73.013   12.821  104.632   2.5935   97.655   8.9036 6.976570 9.273657 
1 1 1   18    9    3 o   66.067   3.2020   32.623   3.1541   33.903   3.4431   25.938   7.8656   67.250   3.4454   57.636   9.4830 9.614315 10.08951 
1 1 1   18    9    4 o  117.974   2.7407  103.962   4.8209   88.320   14.186  106.005   5.1259  107.370   8.9427  119.115   2.8863 -11.74463 9.396912 
1 1 1   18    9    5 o   69.155   3.1738   35.754   3.2725   37.903   4.0802   31.879   5.4792   71.050   3.8662   64.848   5.7258 6.202110 6.908817 
1 1 1   18    9    6 f   56.069   4.4653   23.725   3.7019   25.051   4.1361   18.383   8.3000   57.561   4.8650   47.755   11.740 9.806149 12.70783 
1 1 1   18    9    7 o  104.395   2.5609   81.421   3.9860   78.758   5.4286   84.535   5.8715  102.573   3.5497  106.249   3.7064 -3.675972 5.132013 
1 1 1   18    9    8 o   57.776   4.1052   25.156   3.5133   28.804   5.0225   21.660   4.9163   61.590   5.5283   53.172   6.3255 8.418194 8.400796 
1 1 1   18    9    9 o   90.659   3.0310   61.484   4.0970   60.704   5.7357   62.296   5.8543   89.930   4.2777   91.097   4.3102 -1.166656 6.072637 
1 1 1   18    9   10 o   87.494   3.2740   57.326   4.2709   53.752   5.8627   61.367   6.2344   84.401   4.6772   90.203   4.6514 -5.802498 6.596349 
1 1 1   18    9   11 o  168.863   2.4090  213.196   6.0651  201.995   8.8880  222.957   8.2972  164.061   3.6335  172.485   3.2263 -8.423569 4.859196 
1 1 1   18    9   12 o   84.450   3.1706   53.514   3.9922   48.868   6.1878   56.827   5.2251   80.099   5.2096   86.850   4.0351 -6.750473 6.589582 
1 1 1   18    9   13 o   54.934   5.2282   23.235   4.2305   20.709   7.2171   24.557   5.2217   49.794   10.067   56.076   6.3578 -6.281952 11.90663 
1 1 1   18    9   14 o   40.380   6.4582   13.053   3.7572   20.470   7.0036   10.056   4.4521   48.808   9.9612   34.505   8.6657 14.30296 13.20301 
1 1 1   18    9   15 o   15.738   7.0504  -0.9443   3.4142  -1.7500   6.1823  -0.5907   4.0953   20.421   9.2853   17.610   7.8161 2.811245 12.13702 
1 1 1   18    9   16 o   41.075   6.6143   14.036   3.9131   10.332   6.7638   15.899   4.7976   32.460   11.346   42.962   7.7760 -10.50199 13.75482 
1 1 1   18   10    0 o  286.145   6.5874  614.274   28.070  614.274   28.070  614.274   28.070  286.145   6.5874  286.145   6.5874 0.000000 0.000000 
1 1 1   18   10    1 o  103.177   6.9483   80.754   10.627  105.735   15.008   55.640   15.048  117.612   8.6187   83.861   12.410 33.75040 15.10930 
1 1 1   18   10    2 o  133.769   2.2015  133.580   4.3909  116.698   15.048  135.151   4.5906  123.703   8.2055  134.546   2.2884 -10.84302 8.518638 
1 1 1   18   10    3 f  107.287   2.8266   86.008   4.5216   83.188   8.1543   87.261   5.4334  105.225   5.1975  108.013   3.3738 -2.787590 6.196513 
1 1 1   18   10    4 o   85.554   2.6880   54.685   3.4288   63.631   7.5805   52.384   3.8446   91.793   5.5651   83.706   3.0805 8.086784 6.360825 
1 1 1   18   10    5 o   84.132   3.4536   52.970   4.3322   47.165   7.2938   56.134   5.3849   78.805   6.2592   86.532   4.1738 -7.726563 7.523177 
1 1 1   18   10    6 o   82.241   2.9251   50.570   3.5867   37.377   7.1191   55.057   4.1522   69.912   6.9207   85.784   3.2464 -15.87189 7.644268 
1 1 1   18   10    7 o  141.624   2.5344  149.875   5.3516  135.779   12.323  153.151   5.9411  134.034   6.1664  143.130   2.7840 -9.095291 6.765695 
1 1 1   18   10    8 o  113.034   2.6639   95.508   4.4894  100.014   8.8223   93.934   5.2151  115.244   5.1344  112.041   3.1219 3.202629 6.009052 
1 1 1   18   10    9 o  153.236   3.5557  175.986   8.1238  188.388   11.204  162.239   11.796  158.215   4.7498  146.624   5.3958 11.59135 7.188546 
1 1 1   18   10   10 o  158.535   2.7061  188.041   6.3964  163.820   16.428  192.369   6.9444  146.013   7.5719  160.305   2.9055 -14.29144 8.110188 
1 1 1   18   10   11 o   82.114   3.4334   50.630   4.2035   65.416   8.3565   45.621   4.8636   92.439   6.0974   77.695   4.2142 14.74375 7.412036 
1 1 1   18   10   12 o  111.092   2.9489   92.648   4.8844  101.855   9.4409   89.283   5.7077  115.501   5.4823  108.897   3.5154 6.603516 6.512548 
1 1 1   18   10   13 o   44.247   5.7715   15.359   3.7168   23.981   7.2276   12.260   4.3338   53.575   9.3905   38.682   7.7838 14.89324 12.19705 
1 1 1   18   10   14 o   72.225   3.8467   39.869   4.1274   31.302   7.5483   43.523   4.9297   61.123   8.5139   75.181   4.4173 -14.05763 9.591620 
1 1 1   18   10   15 o   18.412   7.8198   0.9309   3.7402   1.5539   10.622   0.8428   3.9961   27.185   12.285   18.777   8.0313 8.408541 14.67710 
1 1 1   18   10   16 o   69.827   3.9514   37.934   4.0969   47.800   7.9776   34.400   4.7746   74.917   7.2319   65.747   4.9060 9.169106 8.739002 
1 1 1   18   11    0 o   23.507   13.834   4.9549   8.2377   4.9549   8.2377   4.9549   8.2377   23.507   13.834   23.507   13.834 0.000000 0.000000 
1 1 1   18   11    1 o   99.923   4.6842   74.951   6.9786   67.205   9.4774   84.125   10.314   94.024   6.8066  105.306   6.6025 -11.28172 9.482720 
1 1 1   18   11    2 o   89.654   2.0104   59.999   2.6874   71.326   8.8195   58.839   2.8216   97.041   6.1271   88.776   2.1317 8.265053 6.487345 
1 1 1   18   11    3 o   56.962   3.7378   24.405   3.1569   25.310   7.2094   24.190   3.5115   56.930   8.7756   56.646   4.1874 0.2838287 9.723409 
1 1 1   18   11    4 o   49.125   4.8616   18.311   3.5141   18.924   7.2733   18.124   4.0137   48.633   10.349   48.727   5.6282 -0.9412003E-01 11.78003 
1 1 1   18   11    5 o   98.126   3.1447   72.040   4.6008   78.531   8.3920   69.250   5.5012  101.922   5.5432   96.123   3.8384 5.798393 6.742472 
1 1 1   18   11    6 o  168.195   2.2469  211.301   5.6347  211.363   11.223  211.280   6.5153  167.738   4.4876  168.132   2.5991 -0.3935699 5.185905 
1 1 1   18   11    7 o   65.751   3.5366   32.483   3.4543   30.049   7.1393   33.226   3.9470   62.266   7.8656   66.429   4.0038 -4.163239 8.825974 
1 1 1   18   11    8 o   40.694   5.6342   12.742   3.3268   10.373   6.9692   13.441   3.7860   36.333   11.489   41.664   6.2905 -5.331024 13.09800 
1 1 1   18   11    9 o   90.848   3.6768   61.939   4.9803   70.280   8.6883   57.857   6.0780   96.032   6.0997   87.504   4.6756 8.528458 7.685543 
1 1 1   18   11   10 o   61.401   4.3876   28.569   3.9903   15.944   7.3679   33.809   4.7467   43.811   11.228   66.719   4.8039 -22.90831 12.21247 
1 1 1   18   11   11 o   62.369   4.1746   29.509   3.8596   31.933   7.6293   28.675   4.4743   63.371   8.2719   61.266   4.9402 2.105499 9.634860 
1 1 1   18   11   12 o   50.332   5.3995   19.647   3.9887   7.8747   6.7770   25.886   4.9337   31.671   11.330   57.679   5.8164 -26.00837 12.73555 
1 1 1   18   11   13 f   71.132   4.0484   38.696   4.2758   30.550   9.5803   40.723   4.7782   58.349   11.421   72.801   4.4230 -14.45197 12.24758 
1 1 1   18   11   14 o   40.204   6.2483   13.144   3.6238   18.079   6.7123   11.113   4.3052   44.429   10.329   35.863   8.2265 8.566376 13.20447 
1 1 1   18   11   15 o   23.909   8.1509   4.8653   3.4825   5.9695   6.5728   4.4343   4.1063   26.953   10.787   23.502   8.7536 3.451113 13.89182 
1 1 1   18   12    0 f   18.862   12.357  -0.9988   8.6522  -0.9988   8.6522  -0.9988   8.6522   18.862   12.357   18.862   12.357 0.000000 0.000000 
1 1 1   18   12    1 o  119.502   4.2486  107.160   7.5699  111.926   10.231  101.392   11.253  121.830   5.6322  115.544   6.5592 6.285995 8.645532 
1 1 1   18   12    2 o   57.111   7.7405   25.273   6.4213   28.742   8.4344   20.490   9.9038   60.373   9.6983   49.949   13.127 10.42394 16.32076 
1 1 1   18   12    3 f  107.905   2.7124   87.042   4.3639   71.923   8.9830   91.712   4.9925   97.321   6.2234  110.724   3.0242 -13.40340 6.919261 
1 1 1   18   12    4 o  119.164   2.9562  106.221   5.2523  102.461   8.9814  108.176   6.4748  116.628   5.1650  120.154   3.6143 -3.525833 6.303980 
1 1 1   18   12    5 o   13.670   6.1913  -1.4939   2.7153   3.0803   6.9057  -2.3304   2.9531   27.378   11.021   13.533   6.2505 13.84434 12.67039 
1 1 1   18   12    6 o  104.922   2.7439   82.329   4.2925   86.475   11.595   81.671   4.6208  106.252   7.3645  104.473   2.9665 1.778938 7.939537 
1 1 1   18   12    7 o   20.933   8.4806   1.5542   4.1169   18.427   6.9124  -7.7209   5.1250   47.828   10.014   15.419   7.4386 32.40890 12.47486 
1 1 1   18   12    8 o   67.943   3.7846   34.771   3.8186   43.363   7.9075   32.158   4.3608   74.978   7.1606   65.189   4.5144 9.788818 8.464905 
1 1 1   18   12    9 o   77.185   4.0541   44.973   4.6492   31.955   8.1159   51.331   5.6721   63.484   8.8120   82.321   4.6402 -18.83680 9.959046 
1 1 1   18   12   10 o   96.364   3.0250   69.699   4.3462   58.209   8.1519   74.262   5.1372   86.861   6.3382   99.363   3.4677 -12.50157 7.224823 
1 1 1   18   12   11 o   54.535   4.8002   22.829   3.8633   25.928   7.2002   21.575   4.5781   56.344   8.8636   52.606   5.9409 3.737892 10.67043 
1 1 1   18   12   12 o   86.696   3.2927   56.824   4.2562   50.093   7.9636   59.515   5.0358   79.381   6.7941   88.514   3.8158 -9.133232 7.792287 
1 1 1   18   12   13 o   63.305   4.6873   31.153   4.3927   39.073   7.2363   26.532   5.5277   69.174   7.1177   57.262   6.5950 11.91235 9.703430 
1 1 1   18   12   14 o   61.193   4.5279   29.310   4.1018   24.605   9.9894   30.264   4.4986   47.511   13.478   61.930   4.9123 -14.41826 14.34569 
1 1 1   18   12   15 o   18.366   7.7534   1.4134   3.6417   2.4697   6.5682   0.9446   4.3758   22.982   10.060   18.972   8.2606 4.009836 13.01715 
1 1 1   18   13    0 o   41.861   15.318   17.839   8.8204   17.839   8.8204   17.839   8.8204   41.861   15.318   41.861   15.318 0.000000 0.000000 
1 1 1   18   13    1 o   21.277   9.5656  -2.6563   6.3449 -10.9687   8.3749   8.5421   9.7207   20.281   9.7123   36.064   13.461 -15.78308 16.59921 
1 1 1   18   13    2 o   87.868   5.2374   58.415   6.8303   56.561   8.7974   61.230   10.837   85.988   6.9206   89.021   8.2592 -3.033104 10.77535 
1 1 1   18   13    3 o   77.256   2.9124   44.656   3.3547   32.359   8.4664   46.946   3.6537   64.194   9.1006   79.194   3.0944 -14.99995 9.612253 
1 1 1   18   13    4 o   41.674   5.2645   13.303   3.1981   11.122   9.9285   13.555   3.3781   38.802   13.731   42.017   5.5265 -3.214272 14.80156 
1 1 1   18   13    5 o   21.161   7.3100   3.1210   2.8037   1.4695   9.3009   3.2861   2.9405   29.159   12.355   21.685   7.4865 7.473938 14.44601 
1 1 1   18   13    6 o   27.742   6.9481   6.0977   2.8677   5.8471   6.8880   6.1503   3.1540   30.291   11.326   27.863   7.4486 2.427666 13.55616 
1 1 1   18   13    7 o   89.514   2.9349   60.013   3.9170   57.029   8.4861   60.820   4.4155   86.198   6.6545   90.061   3.2883 -3.862694 7.422607 
1 1 1   18   13    8 o   67.715   3.6056   34.558   3.6272   28.602   7.7065   36.252   4.1110   59.919   8.8965   69.276   3.9971 -9.356781 9.753137 
1 1 1   18   13    9 o   50.039   6.0313   19.432   4.4091   16.190   7.1328   21.436   5.6090   43.844   10.945   52.088   7.4332 -8.244194 13.23073 
1 1 1   18   13   10 o   56.191   4.3857   24.107   3.6452   21.396   7.2838   25.013   4.2104   50.513   10.025   57.045   5.0008 -6.531338 11.20304 
1 1 1   18   13   11 o   34.781   7.8642   10.049   3.9825   10.914   6.6891   9.5740   4.9568   35.240   11.267   33.434   9.4978 1.806248 14.73637 
1 1 1   18   13   12 o   58.733   4.2015   26.587   3.6549   24.546   6.9455   27.369   4.2981   53.431   9.0409   59.245   4.9101 -5.813499 10.28820 
1 1 1   18   13   13 o   18.279   7.7618   0.9569   3.6837  -0.7960   6.3592   1.8422   4.5192   20.989   9.4933   20.703   8.6830 0.2862892 12.86534 
1 1 1   18   13   14 o   14.179   6.5962  -2.1223   3.3790  -0.8940   6.2524  -2.6290   4.0159   20.236   9.2539   15.198   7.1102 5.037752 11.66998 
1 1 1   18   14    0 o   29.456   15.162   9.8723   8.5071   9.8723   8.5071   9.8723   8.5071   29.456   15.162   29.456   15.162 0.000000 0.000000 
1 1 1   18   14    1 o   19.081   8.9733  -6.5009   6.5406  -0.9253   8.6895 -13.7884   9.9345   26.479   11.582   21.633   10.416 4.845291 15.57656 
1 1 1   18   14    2 o   77.895   6.8875   46.571   7.9167   45.990   9.1632   48.282   15.721   76.985   8.1048   75.923   14.416 1.062294 16.53769 
1 1 1   18   14    3 o  107.434   8.4297   89.469   13.394   89.469   13.394   0.0000   0.0000  107.434   8.4297  ?   ?  0.000000 8.429737 
1 1 1   18   14    4 o   82.460   3.4171   50.988   4.2011   33.576   11.838   53.497   4.4936   63.558   12.932   84.442   3.5692 -20.88405 13.41533 
1 1 1   18   14    5 o   15.699   6.4758   0.6049   2.4542   0.7064   7.0969   0.5912   2.6155   25.194   10.738   16.111   6.6690 9.082468 12.63998 
1 1 1   18   14    6 o  110.457   2.6814   91.342   4.4160   75.406   13.813   93.156   4.6606   97.546   9.6225  111.527   2.8028 -13.98077 10.02242 
1 1 1   18   14    7 o   69.721   4.4465   36.865   4.5982   43.286   7.8163   33.467   5.6861   74.633   7.1102   66.007   5.8380 8.626289 9.199855 
1 1 1   18   14    8 o   64.211   3.8032   31.196   3.6249   14.236   7.5780   36.228   4.1277   40.854   11.788   69.154   4.0207 -28.29985 12.45460 
1 1 1   18   14    9 o   22.919   7.7792   3.9367   3.1720  -0.3404   6.7517   5.1482   3.5933   23.167   10.169   25.590   8.2662 -2.422960 13.10494 
1 1 1   18   14   10 o   45.030   5.1153   15.791   3.3734   14.903   6.9631   16.064   3.8561   40.880   11.126   45.125   5.8704 -4.244907 12.57994 
1 1 1   18   14   11 o   22.339   8.4370   3.4544   3.8418   9.1534   6.8153   0.8001   4.6512   32.120   11.375   20.130   8.6388 11.98968 14.28384 
1 1 1   18   14   12 o   43.784   5.8094   15.486   3.6988   2.1020   8.4072   18.698   4.1189   25.508   11.266   48.135   5.8601 -22.62686 12.69912 
1 1 1   18   14   13 o   13.129   6.3419  -4.8485   3.7540  -7.8811   6.4970  -3.3286   4.5996   16.814   8.1736   15.927   7.5009 0.8867979 11.09376 
1 1 1   18   14   14 o   42.056   6.1078   14.963   3.7178   20.847   7.2417   12.857   4.3324   44.215   11.023   37.380   8.0141 6.834740 13.62870 
1 1 1   18   15    0 o   25.152   15.543   4.2431   11.488   4.2431   11.488   4.2431   11.488   25.152   15.543   25.152   15.543 0.000000 0.000000 
1 1 1   18   15    1 o   68.409   8.6391   36.784   8.6150   33.460   11.161   41.682   13.550   63.635   12.208   70.574   13.367 -6.939091 18.10258 
1 1 1   18   15    2 o   50.925   10.616   21.184   7.7994   17.531   11.505   24.290   10.610   45.747   14.793   53.535   13.340 -7.787537 19.91942 
1 1 1   18   15    3 o   96.532   5.0420   70.663   7.2317   62.147   9.1371   84.943   11.832   89.854   6.8724  104.762   7.6271 -14.90732 10.26657 
1 1 1   18   15    4 o   81.350   3.1178   49.628   3.7816   45.290   8.6881   50.641   4.2003   76.210   7.7542   82.126   3.4303 -5.915749 8.479061 
1 1 1   18   15    5 o   35.023   7.2913   9.7902   3.6836   4.9230   10.968   10.409   3.9107   33.202   13.692   36.077   7.5143 -2.875809 15.61851 
1 1 1   18   15    6 f   43.741   4.4933   14.624   2.8887   10.517   6.9804   15.472   3.1732   35.825   11.516   44.926   4.8121 -9.100063 12.48095 
1 1 1   18   15    7 o   17.447   6.9800   1.2909   2.7510  -5.0868   6.6342   2.6153   3.0232   19.743   9.2039   20.289   7.5200 -0.5458641 11.88538 
1 1 1   18   15    8 o   68.479   3.5535   35.510   3.6156   29.914   7.2062   37.393   4.1798   60.848   8.1477   70.126   4.0143 -9.278381 9.082934 
1 1 1   18   15    9 o   19.072   7.3680   2.1049   2.9736   7.0623   6.5860   0.8356   3.3327   30.007   11.104   17.847   7.4691 12.15997 13.38220 
1 1 1   18   15   10 o   20.748   7.6440   3.0434   3.1149   0.4081   6.5988   3.7990   3.5333   22.730   10.013   22.553   8.1665 0.1776791 12.92111 
1 1 1   18   15   11 o   32.351   6.9910   8.8467   3.2737  -4.8407   6.1151   14.345   3.8759   18.028   8.5379   41.763   6.4311 -23.73510 10.68900 
1 1 1   18   15   12 o   16.097   7.1376  -0.2630   3.4067  -1.3009   8.7908  -0.0796   3.6955   23.033   10.689   16.888   7.4635 6.145647 13.03723 
1 1 1   18   15   13 o   12.653   6.1614  -5.3066   3.7345 -15.6236   6.6066  -0.4620   4.5272   14.043   7.0597   17.679   8.0017 -3.636322 10.67086 
1 1 1   18   16    0 f   65.857   10.800   35.611   9.7475   35.611   9.7475   35.611   9.7475   65.857   10.800   65.857   10.800 0.000000 0.000000 
1 1 1   18   16    1 o   72.692   6.9597   40.994   7.4509   40.031   9.4890   42.542   12.032   70.820   9.2041   71.693   11.657 -0.8725662 14.85276 
1 1 1   18   16    2 o   22.484   10.268  -3.8998   7.6658   3.9490   11.413 -10.3505   10.347   32.852   13.790   23.345   11.071 9.507120 17.68373 
1 1 1   18   16    3 o   73.421   10.047   43.718   10.710   60.299   14.256   22.233   16.228   85.416   11.485   49.628   17.555 35.78777 20.97850 
1 1 1   18   16    4 o   43.625   4.6370   14.579   2.9699   5.0018   7.5168   16.350   3.2329   29.457   11.617   46.194   4.7622 -16.73746 12.55477 
1 1 1   18   16    5 o   39.850   6.1243   12.473   3.5223   12.347   7.2691   12.512   4.0265   38.117   11.684   39.595   7.0804 -1.478416 13.66173 
1 1 1   18   16    6 o   58.961   3.9706   26.430   3.4702   28.516   7.0569   25.765   3.9854   59.486   8.1725   58.002   4.6475 1.483711 9.401571 
1 1 1   18   16    7 o   55.987   3.7854   23.858   3.1413   18.807   6.9706   25.145   3.5189   46.732   10.283   57.370   4.1417 -10.63860 11.08609 
1 1 1   18   16    8 o   77.265   3.9062   45.569   4.4853   50.272   7.5213   42.974   5.5876   79.650   6.3872   74.437   5.0647 5.212273 8.151542 
1 1 1   18   16    9 o   22.171   7.6263   3.8580   3.0500   5.8733   6.5276   3.2952   3.4497   27.818   10.869   21.541   8.0233 6.277212 13.50958 
1 1 1   18   16   10 f   24.382   7.4525   5.0579   2.9599   6.1618   6.2529   4.7391   3.3602   27.377   10.654   23.806   8.0070 3.570236 13.32744 
1 1 1   18   16   11 o   60.655   4.7348   29.149   4.2480   0.0000   0.0000   29.149   4.2480  ?   ?    60.655   4.7348 0.000000 4.734766 
1 1 1   18   16   12 o   56.840   4.3270   25.621   3.6394   19.792   6.7545   28.006   4.3202   43.948   10.459   58.890   4.9666 -14.94240 11.57872 
1 1 1   18   17    0 o   31.089   15.976   11.460   9.4358   11.460   9.4358   11.460   9.4358   31.089   15.976   31.089   15.976 0.000000 0.000000 
1 1 1   18   17    1 o   29.117   11.021   5.7090   6.5648   10.615   8.7406  -0.6405   9.9434   36.265   12.878   27.586   12.215 8.678268 17.74955 
1 1 1   18   17    2 o   41.388   10.357   14.493   6.3761   11.835   8.1141   18.783   10.309   37.438   12.441   45.681   13.897 -8.242477 18.65187 
1 1 1   18   17    3 o   67.183   6.8925   35.477   6.8062   31.968   8.7711   40.788   10.791   62.171   9.7857   69.716   10.725 -7.544563 14.51834 
1 1 1   18   17    4 o   69.336   3.1273   36.201   3.2329   8.0387   7.7511   42.132   3.5571   32.419   12.036   74.785   3.1901 -42.36636 12.45178 
1 1 1   18   17    5 o   74.038   3.3604   41.396   3.7095   45.021   7.7117   40.305   4.2312   75.383   6.9392   72.790   3.9131 2.592407 7.966499 
1 1 1   18   17    6 o   42.755   4.6625   14.171   2.9240   3.1640   6.6556   16.804   3.2550   25.699   10.638   46.562   4.7553 -20.86322 11.65242 
1 1 1   18   17    7 o   15.493   6.4988   0.5637   2.5321  -9.4922   6.2182   2.5626   2.7724   16.220   7.9095   19.433   7.2016 -3.213650 10.69693 
1 1 1   18   17    8 o   45.633   4.5027   16.254   3.0236   20.259   6.6900   15.226   3.3895   47.476   9.7767   43.780   5.3006 3.695644 11.12119 
1 1 1   18   17    9 o   43.759   4.8214   15.173   3.0935   12.230   6.6794   15.976   3.4903   34.993   11.267   44.618   5.3536 -9.625053 12.47396 
1 1 1   18   17   10 o   43.851   5.5159   15.679   3.5266   20.662   9.9884   14.970   3.7693   41.050   13.805   42.419   6.1383 -1.369263 15.10816 
1 1 1   18   17   11 o   15.534   6.8713  -0.0149   3.1390  -5.1182   6.2196   1.7293   3.6360   17.260   8.2929   18.539   7.7827 -1.279377 11.37286 
1 1 1   18   18    0 o  116.383   6.4531  103.615   11.119  103.615   11.119  103.615   11.119  116.383   6.4531  116.383   6.4531 0.000000 0.000000 
1 1 1   18   18    1 o   20.316   9.8924 -13.8393   9.6236   0.0000   0.0000 -13.8393   9.6236  ?   ?    20.316   9.8924 0.000000 9.892352 
1 1 1   18   18    2 o   39.313   10.074   13.389   5.9315   9.2078   7.9707   18.578   8.8796   33.440   12.242   44.859   12.701 -11.41861 17.64046 
1 1 1   18   18    3 o   23.018   9.6775   1.7808   5.6358   2.2791   7.0202   0.8774   9.4519   25.363   10.739   27.127   11.965 -1.764185 16.07788 
1 1 1   18   18    4 o   20.869   9.1947  -0.2313   5.5660  -6.7167   7.0932   10.162   8.9792   19.164   9.1105   34.301   12.911 -15.13727 15.80187 
1 1 1   18   18    5 o   24.359   7.4156   4.8929   2.9347  -6.0818   7.0251   7.2130   3.2300   19.225   9.1185   29.313   7.3920 -10.08726 11.73832 
1 1 1   18   18    6 o   42.100   5.5973   14.167   3.4264   8.3812   6.8322   16.111   3.9604   30.754   11.322   44.664   6.1073 -13.90947 12.86453 
1 1 1   18   18    7 o   48.195   3.7368   17.925   2.6642   16.514   6.5256   18.207   2.9185   41.722   10.499   48.419   4.0807 -6.697083 11.26393 
1 1 1   18   18    8 o   23.237   6.9668   4.6194   2.6048   2.7013   6.2541   5.0220   2.8651   23.323   10.013   24.104   7.3247 -0.7805042 12.40642 
1 1 1   18   18    9 o   51.068   4.5955   20.751   3.4616   21.179   9.9302   20.692   3.6932   41.004   13.765   50.747   4.9440 -9.742786 14.62581 
1 1 1   18   18   10 o   31.565   7.0737   8.9209   3.2466   4.5646   9.2371   9.5349   3.4679   25.397   11.468   32.459   7.3380 -7.062027 13.61499 
1 1 1   18   18   11 o   14.613   6.6450  -0.6422   3.1673   1.9460   6.6093  -1.4138   3.6086   21.238   9.6352   14.792   6.8591 6.446528 11.82725 
1 1 1   18   19    0 f   57.649   11.917   29.273   9.0414   29.273   9.0414   29.273   9.0414   57.649   11.917   57.649   11.917 0.000000 0.000000 
1 1 1   18   19    1 o   19.712   8.9165  -1.4997   5.6113 -11.2662   7.1670   13.969   9.0198   17.111   8.3757   37.813   13.109 -20.70213 15.55595 
1 1 1   18   19    2 o   18.287   8.5196  -3.5696   5.6702   1.6712   7.7401  -9.6398   8.3300   25.095   10.955   19.505   9.4276 5.589897 14.45278 
1 1 1   18   19    3 o   63.097   6.6144   32.279   6.1300   35.263   8.3604   28.810   9.0148   63.889   9.0283   55.610   11.259 8.278900 14.43159 
1 1 1   18   19    4 o   26.210   9.9193   5.4780   5.3171   0.7618   6.9457   12.155   8.2640   23.084   10.215   34.932   12.510 -11.84891 16.15074 
1 1 1   18   19    5 o   21.597   7.4165   3.7609   2.8840  -0.3289   6.7942   4.6597   3.1851   21.834   9.8495   23.555   7.7929 -1.721128 12.55954 
1 1 1   18   19    6 o   37.358   6.1926   11.590   3.3284   0.2620   6.2394   16.096   3.9351   21.278   9.5320   44.174   6.1409 -22.89545 11.33882 
1 1 1   18   19    7 o   34.354   5.0266   9.5631   2.4985   11.775   6.5551   9.1872   2.7026   33.419   11.184   33.329   5.6397 0.8927917E-01 12.52531 
1 1 1   18   19    8 o   19.235   7.1676   2.8719   2.7537   4.6047   9.4424   2.7109   2.8789   25.935   11.664   19.068   7.2791 6.866272 13.74869 
1 1 1   18   19    9 o   29.384   7.0556   7.8386   3.0521  -3.4398   8.9877   9.3088   3.2450   20.786   9.9823   32.174   6.9662 -11.38853 12.17267 
1 1 1   18   19   10 o   12.846   6.0453  -2.0107   2.9772   0.3522   6.2626  -2.7006   3.3841   19.627   9.0782   13.226   6.2893 6.400951 11.04400 
1 1 1   18   20    0 o   33.904   14.365   13.540   7.3548   13.540   7.3548   13.540   7.3548   33.904   14.365   33.904   14.365 0.000000 0.000000 
1 1 1   18   20    1 o   35.378   10.095   11.914   5.5867   14.083   7.7908   9.6188   8.0155   36.707   12.190   31.435   12.110 5.271318 17.18279 
1 1 1   18   20    2 o   27.349   10.125   6.6340   5.4774  -0.4365   8.1465   12.467   7.3996   23.145   10.576   34.705   11.881 -11.55991 15.90619 
1 1 1   18   20    3 f   40.476   9.2252   15.153   5.4433   21.437   7.8327   9.2834   7.5701   45.956   11.468   30.613   11.776 15.34275 16.43734 
1 1 1   18   20    4 o   19.430   8.5991   0.4321   4.9221   8.3281   6.6932  -8.8667   7.2634   29.180   11.109   17.504   8.5386 11.67644 14.01095 
1 1 1   18   20    5 o   48.429   3.9999   18.394   2.8623   22.608   6.8791   17.512   3.1477   48.315   9.8827   46.904   4.5587 1.410934 10.88345 
1 1 1   18   20    6 o   16.361   6.9690   0.8772   2.9865  -3.5064   6.1757   2.2152   3.4119   18.082   8.5686   18.917   7.6997 -0.8350582 11.51977 
1 1 1   18   20    7 o   19.442   7.7064   2.7814   3.3239   10.604   6.6052   0.1288   3.8465   30.326   11.138   16.876   7.5274 13.45062 13.44275 
1 1 1   18   20    8 o   27.338   6.5740   6.7482   2.6467  -2.6415   6.0006   9.0161   2.9490   17.720   8.4110   31.846   6.4325 -14.12596 10.58876 
1 1 1   18   21    0 o   15.739   10.700  -2.3470   7.6252  -2.3470   7.6252  -2.3470   7.6252   15.739   10.700   15.739   10.700 0.000000 0.000000 
1 1 1   18   21    1 o   27.116   10.266   7.1536   5.6960   17.284   8.5598  -0.8973   7.6307   37.793   12.779   21.473   9.9632 16.31969 16.20424 
1 1 1   18   21    2 o   13.707   6.8067 -10.1902   5.3520  -8.2691   7.2793 -12.4507   7.8960   17.437   8.5151   16.798   8.3291 0.6388035 11.91136 
1 1 1   18   21    3 o   19.692   8.7163   1.0174   5.0587   13.960   7.1627 -11.8634   7.1456   34.739   11.690   15.891   7.8867 18.84866 14.10193 
1 1 1   18   21    4 o   14.086   6.9209  -7.5317   5.0382 -12.3425   6.5996  -0.8117   7.8001   14.854   7.4057   21.203   9.9160 -6.349489 12.37627 
1 1 1   18   21    5 o   18.206   8.7704  -4.7099   7.0634  -6.4390   9.4883  -2.5606   10.579   19.994   9.7546   22.218   10.711 -2.223743 14.48682 
1 1 1   18   21    6 o   40.346   5.9352   14.051   3.4636   8.8534   6.8322   15.850   4.0183   27.238   10.964   42.241   6.5958 -15.00252 12.79466 
1 1 1   18   21    7 o   19.234   7.6204   3.0707   3.2487   5.4450   6.1534   2.1531   3.8253   23.243   9.9545   18.497   7.8832 4.746458 12.69788 
1 1 1   18   22    0 o   32.805   17.310   17.131   11.291   17.131   11.291   17.131   11.291   32.805   17.310   32.805   17.310 0.000000 0.000000 
1 1 1   18   22    1 o   27.867   11.512   9.5310   7.7716   19.386   11.281   0.6295   10.721   33.794   13.905   23.193   11.075 10.60095 17.77661 
1 1 1   18   22    2 o   21.714   9.9419   1.9812   7.2475   16.888   10.525 -11.4590   9.9942   32.223   13.361   18.597   9.2462 13.62596 16.24863 
1 1 1   18   22    3 o   29.431   10.384   10.195   5.6742   12.517   7.0223   5.8275   9.6314   30.954   11.463   24.753   11.380 6.200796 16.15300 
1 1 1   18   22    4 o   26.632   9.7593   8.0873   5.0676   13.254   7.2503   3.1525   7.0858   31.013   11.616   21.880   9.9454 9.133636 15.29172 
1 1 1   18   22    5 o   13.190   6.5800  -9.4413   5.2414 -10.5255   7.2603  -8.2612   7.5747   15.568   7.7627   16.616   8.2244 -1.048680 11.30930 
1 1 1   18   23    0 o   27.368   14.554   11.643   8.0301   11.643   8.0301   11.643   8.0301   27.368   14.554   27.368   14.554 0.000000 0.000000 
1 1 1   18   23    1 o   16.489   7.8437  -1.9418   5.2728  -5.3609   7.1637   2.1005   7.7893   16.990   8.3285   20.812   9.7892 -3.822495 12.85270 
1 1 1   18   23    2 o   25.643   9.9597   8.3628   5.4562   7.3926   7.4316   9.4972   8.0362   23.901   10.573   25.314   11.103 -1.412457 15.33163 
1 1 1   19    1    0 o   70.491   5.1875   37.676   5.3842   37.676   5.3842   37.676   5.3842   70.491   5.1875   70.491   5.1875 0.000000 0.000000 
1 1 1   19    1    1 o  354.830   2.5750  939.105   13.623  956.647   19.241  921.472   19.290  358.036   3.6043  351.384   3.6820 6.652039 5.152496 
1 1 1   19    1    2 o   51.735   4.4763   20.136   3.4188   21.142   4.0883   17.797   6.2343   52.933   5.2494   47.918   9.0581 5.015503 10.46922 
1 1 1   19    1    3 o  278.249   2.0767  577.407   8.6156  588.912   11.987  565.112   12.392  280.957   2.8614  275.210   3.0200 5.747681 4.160322 
1 1 1   19    1    4 o  254.040   2.2808  481.368   8.6389  482.151   13.409  480.812   11.295  254.150   3.5387  253.844   2.9844 0.3054504 4.629161 
1 1 1   19    1    5 o   99.661   2.5056   74.099   3.7231   68.910   4.9816   80.665   5.6037   96.075   3.4777  103.941   3.6159 -7.866287 5.016893 
1 1 1   19    1    6 o  251.985   2.3004  473.702   8.6425  461.693   13.587  481.863   11.201  248.631   3.6651  254.086   2.9566 -5.454681 4.708992 
1 1 1   19    1    7 o   38.694   6.1034   11.497   3.4045   9.3747   3.9728   17.362   6.6053   34.614   7.8753   47.068   9.7336 -12.45409 12.52053 
1 1 1   19    1    8 o  160.469   2.1749  192.129   5.2036  198.117   7.4200  186.333   7.2996  162.883   3.0553  157.960   3.0994 4.922089 4.352158 
1 1 1   19    1    9 o   68.465   3.3005   35.023   3.3691   34.326   4.8427   35.677   4.6901   67.522   4.8425   68.877   4.5935 -1.355209 6.674531 
1 1 1   19    1   10 o  163.371   2.2883  199.219   5.5739  195.165   8.0780  202.902   7.7008  161.585   3.3530  164.785   3.1344 -3.199722 4.589874 
1 1 1   19    1   11 o  155.245   2.5903  179.996   5.9956  173.582   9.8555  183.764   7.5542  152.205   4.3429  156.782   3.2316 -4.577805 5.413344 
1 1 1   19    1   12 o   16.899   7.3577  -0.5719   3.4713  -1.8259   5.2459   0.4048   4.6300   19.817   8.8185   20.703   8.7414 -0.8858299 12.41685 
1 1 1   19    1   13 o   39.978   7.3388   12.495   4.2132   10.540   5.3462   15.700   6.8443   36.384   9.6843   44.220   10.532 -7.835751 14.30750 
1 1 1   19    1   14 o   18.486   7.7402   0.5504   3.5813   4.3758   6.7157  -0.9698   4.2335   28.484   11.053   18.266   8.0342 10.21780 13.66476 
1 1 1   19    1   15 o   83.879   3.2362   52.780   4.0472   48.586   6.7481   55.136   5.0579   79.762   5.7122   85.598   3.9631 -5.836372 6.952361 
1 1 1   19    1   16 o  157.537   2.5169  186.062   5.9118  194.950   9.3945  180.235   7.6069  160.610   3.9231  154.738   3.2971 5.871689 5.124650 
1 1 1   19    1   17 o   24.956   8.0694   4.9981   3.4236   10.731   5.3422   1.0031   4.4597   35.189   9.8127   20.269   8.5698 14.91969 13.02814 
1 1 1   19    1   18 o   50.604   4.4800   19.904   3.3452   23.028   5.5980   18.169   4.1720   52.785   7.3091   47.566   6.0174 5.219456 9.467358 
1 1 1   19    2    0 o  260.613   2.9572  506.707   11.487  506.707   11.487  506.707   11.487  260.613   2.9572  260.613   2.9572 0.000000 0.000000 
1 1 1   19    2    1 o  128.919   2.3245  123.965   4.4680  125.396   6.0561  122.255   6.6186  129.634   3.1333  127.986   3.4685 1.647621 4.674169 
1 1 1   19    2    2 o   43.459   5.0961   14.309   3.2394   13.076   3.8493   17.302   5.9973   41.306   6.4620   47.240   8.8398 -5.933758 10.94986 
1 1 1   19    2    3 o  128.883   3.7505  124.021   7.2070  124.021   7.2070   0.0000   0.0000  128.883   3.7505  ?   ?  0.000000 3.750486 
1 1 1   19    2    4 o  163.033   2.0916  198.252   5.0843  197.864   6.8332  198.734   7.6098  162.838   2.8145  163.177   3.1278 -0.3392487 4.207680 
1 1 1   19    2    5 o  206.043   2.0517  316.669   6.3028  324.643   8.7957  308.253   9.0362  208.567   2.8285  203.222   2.9822 5.345322 4.110236 
1 1 1   19    2    6 f   99.888   2.9086   74.479   4.3318   73.631   5.1455   76.544   8.0265   99.290   3.4758  100.966   5.3510 -1.676399 6.380776 
1 1 1   19    2    7 o  237.147   2.3983  419.674   8.4799  422.736   12.057  416.677   11.928  237.889   3.3994  236.180   3.3874 1.709366 4.799022 
1 1 1   19    2    8 f   84.880   2.8437   53.796   3.5989   53.503   5.0684   54.093   5.1111   84.582   4.0190   85.046   4.0308 -0.4638977 5.692081 
1 1 1   19    2    9 o   89.815   3.5953   60.312   4.8145   60.291   6.6405   60.336   6.9906   89.542   4.9939   89.533   5.2598 0.8300781E-02 7.252889 
1 1 1   19    2   10 o   82.923   3.3144   51.406   4.0977   59.038   6.5928   46.602   5.2309   88.566   5.0133   78.736   4.4743 9.829277 6.719533 
1 1 1   19    2   11 o   50.458   4.5603   19.247   3.3937   8.7751   5.3134   26.462   4.4106   33.550   9.9257   59.151   5.0494 -25.60173 11.13620 
1 1 1   19    2   12 o   14.291   6.6195  -2.7890   3.3474  -4.0357   5.3269  -1.9756   4.3031   18.234   8.4123   17.528   7.8794 0.7055779 11.52609 
1 1 1   19    2   13 o   81.886   3.3884   50.201   4.1369   42.413   6.4162   55.741   5.4120   74.746   5.8028   86.187   4.2115 -11.44129 7.170045 
1 1 1   19    2   14 o   25.050   8.2541   4.6567   3.5747   0.9565   5.3270   7.6878   4.8214   22.497   9.4310   31.270   9.5016 -8.773224 13.38743 
1 1 1   19    2   15 o   21.965   8.1539   3.0260   3.5571   3.8581   6.3422   2.6441   4.2964   27.019   10.666   22.557   8.8166 4.461628 13.83784 
1 1 1   19    2   16 o   53.945   4.7756   22.357   3.8014   24.668   6.0043   20.811   4.9109   55.580   7.4317   51.365   6.5625 4.215382 9.914486 
1 1 1   19    2   17 o   21.638   8.1229   3.1547   3.5495   0.9559   5.0314   5.3332   5.0081   21.090   9.0161   26.452   9.7006 -5.361065 13.24351 
1 1 1   19    2   18 o   19.675   7.6428   2.4398   3.2133   5.3641   5.2422   0.6797   4.0669   26.031   9.8497   18.743   8.0616 7.287874 12.72815 
1 1 1   19    3    0 o  212.245   3.5838  336.321   11.334  336.321   11.334  336.321   11.334  212.245   3.5838  212.245   3.5838 0.000000 0.000000 
1 1 1   19    3    1 o  245.309   2.5398  448.937   9.2892  456.793   12.922  440.536   13.363  247.364   3.5037  242.904   3.6897 4.460007 5.088202 
1 1 1   19    3    2 o  174.058   2.3310  225.999   6.0492  223.676   7.2531  231.308   10.964  173.135   2.8098  175.964   4.1789 -2.829010 5.035664 
1 1 1   19    3    3 o   97.223   2.5391   70.524   3.6806   73.143   4.7763   66.695   5.7752   98.986   3.2363   94.485   4.0996 4.501640 5.223029 
1 1 1   19    3    4 o  173.835   2.1011  225.415   5.4458  229.091   7.3115  220.834   8.1613  175.204   2.7989  171.990   3.1826 3.214066 4.238301 
1 1 1   19    3    5 o  131.073   2.2338  128.175   4.3653  130.883   5.9225  124.953   6.4594  132.409   3.0000  129.352   3.3493 3.056549 4.496384 
1 1 1   19    3    6 o  177.756   2.1970  235.752   5.8228  243.057   7.7882  226.493   8.7680  180.434   2.8950  174.131   3.3772 6.302383 4.448179 
1 1 1   19    3    7 o   46.964   4.3455   16.642   3.0083   16.539   4.1716   16.754   4.3422   46.534   6.1644   46.799   6.3901 -0.2647820 8.878838 
1 1 1   19    3    8 o   90.760   2.7373   61.509   3.7041   60.512   5.1753   62.556   5.3039   89.949   3.8589   91.453   3.8898 -1.504326 5.479256 
1 1 1   19    3    9 o  180.694   2.4703  243.772   6.6551  243.357   8.4151  244.466   10.874  180.458   3.1276  180.724   4.0357 -0.2660370 5.105740 
1 1 1   19    3   10 o   57.120   3.7561   24.523   3.1810   19.813   4.9567   27.821   4.1479   50.813   6.7064   60.737   4.6150 -9.924450 8.140883 
1 1 1   19    3   11 o   51.652   4.7566   20.193   3.6220   18.527   5.1863   21.779   5.0605   48.936   7.3341   53.327   6.4992 -4.390434 9.799395 
1 1 1   19    3   12 o   55.358   4.4657   23.147   3.6545   21.588   5.6167   24.291   4.8125   52.860   7.3233   56.474   5.7978 -3.613876 9.340485 
1 1 1   19    3   13 o   52.743   4.7267   21.092   3.6775   17.862   5.7089   23.382   4.8080   47.632   8.3428   55.304   5.9231 -7.672443 10.23156 
1 1 1   19    3   14 o   54.096   4.7998   22.258   3.8311   19.316   5.9088   24.392   5.0321   49.370   8.3232   56.323   6.0893 -6.952393 10.31287 
1 1 1   19    3   15 o   76.611   4.2293   44.499   4.8122   49.863   7.4745   40.702   6.2889   80.319   6.2918   72.701   5.8514 7.617859 8.592210 
1 1 1   19    3   16 o  132.632   2.8261  132.355   5.5886  120.420   7.8931  144.352   7.9138  125.811   4.2078  137.975   3.8469 -12.16383 5.701274 
1 1 1   19    3   17 o   90.894   3.1663   62.575   4.2910   68.669   6.7949   58.532   5.5342   94.108   4.8593   87.360   4.2488 6.747833 6.454858 
1 1 1   19    3   18 o   29.444   7.3464   7.4689   3.2146   11.118   5.4107   5.4780   3.9964   34.399   9.9707   25.334   8.7287 9.065376 13.25162 
1 1 1   19    4    0 f  162.814   2.8845  197.895   6.9972  197.895   6.9972  197.895   6.9972  162.814   2.8845  162.814   2.8845 0.000000 0.000000 
1 1 1   19    4    1 f  131.243   2.1820  128.491   4.2697  126.411   5.7264  131.095   6.4073  130.142   2.9512  132.515   3.2429 -2.373199 4.384739 
1 1 1   19    4    2 o  228.476   2.0869  389.391   7.1091  382.437   9.2344  399.510   11.139  226.377   2.7359  231.327   3.2295 -4.950195 4.232656 
1 1 1   19    4    3 o  271.153   2.0708  548.464   8.3718  540.948   11.402  557.255   12.331  269.213   2.8407  273.218   3.0271 -4.005127 4.151269 
1 1 1   19    4    4 o   29.503   7.1084   6.8028   3.0899   6.2079   3.4105   9.5282   7.3003   28.291   7.8228   35.998   11.792 -7.706263 14.15132 
1 1 1   19    4    5 f  142.050   2.2814  150.565   4.8317  145.103   6.2220  158.862   7.6688  139.404   2.9936  145.818   3.5273 -6.414856 4.626390 
1 1 1   19    4    6 o   84.015   2.7257   52.696   3.4144   50.902   4.6621   54.772   5.0144   82.517   3.7894   85.587   3.9295 -3.070251 5.459016 
1 1 1   19    4    7 o   60.031   4.1019   27.087   3.6494   37.259   6.2471   21.817   4.4965   70.169   6.0298   53.612   5.7132 16.55650 8.306540 
1 1 1   19    4    8 o   62.133   3.9400   29.002   3.6311   30.433   5.6525   27.997   4.7381   63.331   6.0602   60.854   5.2742 2.476742 8.033853 
1 1 1   19    4    9 o   49.036   4.2613   18.148   3.0845   17.725   4.7566   18.455   4.0520   47.994   6.8408   49.233   5.6208 -1.239346 8.853827 
1 1 1   19    4   10 o  241.646   2.0673  435.871   7.4484  433.953   11.476  437.267   9.7907  240.898   3.1952  241.920   2.7144 -1.021545 4.192487 
1 1 1   19    4   11 o   70.583   3.4372   37.284   3.6173   41.425   5.7601   34.587   4.6481   74.028   5.2528   67.721   4.6312 6.306831 7.002861 
1 1 1   19    4   12 o   83.254   3.4180   51.897   4.2427   53.824   6.2447   50.244   5.7821   84.437   4.9824   81.614   4.7725 2.823029 6.899386 
1 1 1   19    4   13 o  132.037   2.8407  130.459   5.5924  114.569   10.003  137.683   6.7449  123.115   5.4496  135.547   3.3374 -12.43165 6.390351 
1 1 1   19    4   14 f   74.870   3.6836   42.148   4.1119   36.534   6.3624   46.175   5.3885   68.890   6.2628   78.033   4.6526 -9.143799 7.801851 
1 1 1   19    4   15 o   43.316   5.7417   14.638   3.6168   13.439   5.4299   15.594   4.8490   40.188   9.2533   44.018   7.6670 -3.829678 12.01692 
1 1 1   19    4   16 o   42.836   6.0519   14.578   3.7575   13.168   5.7600   15.624   4.9576   38.863   9.9101   43.470   7.9419 -4.606762 12.69972 
1 1 1   19    4   17 o   51.053   4.8285   20.396   3.6317   23.217   6.5035   19.117   4.3780   51.964   8.7017   48.704   6.1670 3.259621 10.66545 
1 1 1   19    5    0 f   61.223   4.3432   28.397   3.9187   28.397   3.9187   28.397   3.9187   61.223   4.3432   61.223   4.3432 0.000000 0.000000 
1 1 1   19    5    1 o   30.206   5.8322   7.0687   2.5315   3.5575   3.1556   13.409   4.2404   22.695   7.7588   41.681   7.0764 -18.98594 10.50110 
1 1 1   19    5    2 o  108.653   2.4533   88.096   3.9743   91.559   4.8535   81.048   6.9238  110.744   2.9394  104.098   4.4610 6.646591 5.342340 
1 1 1   19    5    3 o   19.636   7.4203   2.0941   2.9726   2.0093   3.0522   3.6570   13.101   19.650   7.4965   36.278   14.963 -16.62716 16.73590 
1 1 1   19    5    4 o  179.251   2.1490  239.738   5.7435  235.808   7.3934  245.720   9.1212  177.724   2.7901  181.361   3.3732 -3.636444 4.377588 
1 1 1   19    5    5 o  164.450   2.1176  201.790   5.1923  189.840   6.8479  217.951   7.9636  159.446   2.8805  170.819   3.1268 -11.37253 4.251429 
1 1 1   19    5    6 o   86.759   2.8002   56.209   3.6222   57.921   4.8984   54.145   5.3806   88.011   3.7329   85.056   4.2428 2.954926 5.651168 
1 1 1   19    5    7 o   20.173   7.0134   2.7537   2.5828   2.0580   3.8149   3.3424   3.5094   21.205   8.3025   22.752   8.1516 -1.546314 11.63525 
1 1 1   19    5    8 o   94.218   2.5673   66.294   3.6064   64.946   5.4159   67.368   4.8339   93.148   3.8997   94.913   3.4159 -1.765411 5.184213 
1 1 1   19    5    9 o  137.809   2.3437  141.809   4.8156  136.605   7.9349  144.843   6.0589  135.056   3.9406  139.213   2.9191 -4.157135 4.903998 
1 1 1   19    5   10 o   92.620   2.9868   64.137   4.1246   64.983   5.8407   63.296   5.8255   93.096   4.2079   91.874   4.2527 1.221771 5.982656 
1 1 1   19    5   11 o   83.200   3.1045   51.781   3.8511   56.133   6.1034   48.902   4.9640   86.298   4.7619   80.642   4.1425 5.656258 6.311605 
1 1 1   19    5   12 o   88.038   3.1881   58.026   4.1847   49.405   6.4830   64.185   5.4791   80.737   5.4169   92.483   3.9735 -11.74575 6.718064 
1 1 1   19    5   13 o   18.945   7.7877   1.0185   3.5340  -4.9630   5.4056   5.4834   4.6703   17.620   8.2450   27.450   9.4373 -9.829779 12.53165 
1 1 1   19    5   14 o   29.066   7.9549   6.8121   3.5477   4.3039   5.5193   8.5781   4.6313   26.428   10.081   32.428   9.1697 -6.000080 13.62759 
1 1 1   19    5   15 o   65.013   4.3032   32.277   4.1476   40.293   7.3638   28.553   5.0195   71.342   7.0135   60.622   5.6173 10.72065 8.985747 
1 1 1   19    5   16 o   70.454   3.6131   37.828   3.7826   35.701   5.8013   39.402   4.9890   67.271   5.8419   71.369   4.7151 -4.097679 7.507336 
1 1 1   19    5   17 o   18.575   7.4922   1.7836   3.1979   4.8797   5.1875  -0.1143   4.0614   25.260   9.7392   17.833   7.8556 7.427017 12.51250 
1 1 1   19    6    0 o   24.074   13.314   6.0425   6.9893   6.0425   6.9893   6.0425   6.9893   24.074   13.314   24.074   13.314 0.000000 0.000000 
1 1 1   19    6    1 o   63.210   3.9973   29.993   3.7478   25.905   7.0787   31.585   4.4178   57.987   8.4348   64.802   4.6024 -6.815056 9.608682 
1 1 1   19    6    2 o  127.139   2.4870  120.646   4.7145  117.689   5.3364  131.156   10.063  125.549   2.8508  132.312   5.1008 -6.763412 5.843400 
1 1 1   19    6    3 o  126.210   2.4679  118.892   4.6440  119.544   5.4692  117.207   8.7921  126.526   2.8991  125.112   4.7133 1.414146 5.533542 
1 1 1   19    6    4 o  130.473   2.2246  127.038   4.3277  124.561   5.6638  130.514   6.7083  129.144   2.9415  132.154   3.4046 -3.009430 4.499279 
1 1 1   19    6    5 o   69.045   3.6693   35.747   3.7638   36.522   4.3173   33.294   7.6830   69.733   4.1717   65.896   7.9828 3.836838 9.007075 
1 1 1   19    6    6 o  118.489   2.1586  104.784   3.8134  107.552   5.8294  102.713   5.0419  119.956   3.2594  117.260   2.8839 2.696281 4.352016 
1 1 1   19    6    7 o  186.175   1.9929  258.672   5.5319  259.244   8.4726  258.247   7.3036  186.246   3.0511  185.947   2.6344 0.2988281 4.031032 
1 1 1   19    6    8 o   53.795   3.8189   21.775   3.0431   22.742   4.7185   21.086   3.9819   54.645   5.8841   52.734   5.1293 1.910957 7.805927 
1 1 1   19    6    9 o   55.377   3.8868   23.085   3.1888   20.997   4.8756   24.645   4.2155   52.355   6.3777   57.051   5.0064 -4.696480 8.107989 
1 1 1   19    6   10 o  128.531   2.3906  123.403   4.5812  125.555   7.1189  121.882   5.9853  129.469   3.6879  127.644   3.1450 1.824928 4.846759 
1 1 1   19    6   11 o   98.306   3.1531   72.327   4.6216   80.101   9.0159   69.556   5.3826  102.789   5.9078   96.326   3.7478 6.462288 6.996250 
1 1 1   19    6   12 o  179.507   2.7178  241.074   7.2739  270.082   19.132  236.173   7.8645  188.234   6.8172  177.611   2.9698 10.62263 7.435956 
1 1 1   19    6   13 o  181.772   2.3541  247.192   6.3801  253.940   10.004  242.564   8.2835  183.781   3.6508  179.833   3.0894 3.947601 4.782506 
1 1 1   19    6   14 o   21.136   8.5446   1.8882   4.1698   17.783   6.3177 -10.3802   5.5504   46.314   9.4685   14.880   7.3017 31.43394 11.95689 
1 1 1   19    6   15 o   17.332   7.3669   0.4518   3.3244  -4.8716   5.1357   4.2913   4.3615   16.664   7.8718   24.496   9.0418 -7.831659 11.98826 
1 1 1   19    6   16 o   28.719   8.0560   7.0631   3.5895   12.712   5.2630   2.1506   4.9081   37.848   9.3751   21.927   9.1107 15.92088 13.07280 
1 1 1   19    6   17 o   35.801   6.4230   10.693   3.3025   10.401   5.1412   10.898   4.3091   33.211   9.7460   34.923   8.3823 -1.711369 12.85487 
1 1 1   19    7    0 o  138.649   2.7580  143.574   5.6962  143.574   5.6962  143.574   5.6962  138.649   2.7580  138.649   2.7580 0.000000 0.000000 
1 1 1   19    7    1 o  161.188   2.3219  193.913   5.5801  199.229   6.4668  178.414   11.041  163.354   2.6551  154.324   4.7985 9.030762 5.484064 
1 1 1   19    7    2 f  203.468   1.9992  308.894   6.0648  309.413   8.1628  308.255   9.0612  203.566   2.6895  203.148   2.9916 0.4190216 4.022799 
1 1 1   19    7    3 o   77.446   3.0872   44.810   3.5647   44.540   4.0267   45.787   7.6650   77.188   3.4988   77.699   6.6815 -0.5108643 7.542132 
1 1 1   19    7    4 o   77.090   2.8594   44.390   3.2865   42.054   4.1905   48.122   5.2974   74.981   3.7484   80.031   4.4572 -5.049110 5.823849 
1 1 1   19    7    5 o   50.731   3.4573   19.334   2.5995   14.840   3.7354   23.554   3.6197   44.051   5.8306   55.903   4.3778 -11.85221 7.291183 
1 1 1   19    7    6 o  106.056   2.4443   83.991   3.8650   80.928   6.4804   85.681   4.8152  103.938   4.1817  107.071   3.0163 -3.133041 5.156065 
1 1 1   19    7    7 o   31.577   6.9129   7.8276   3.1644  -1.2596   6.3161   10.873   3.6564   22.452   9.8458   37.368   6.8138 -14.91571 11.97363 
1 1 1   19    7    8 o   74.430   3.1132   41.430   3.4548   38.639   5.6335   43.113   4.3737   71.468   5.3251   75.761   3.8851 -4.293129 6.591680 
1 1 1   19    7    9 o   96.256   2.6510   69.242   3.8046   67.072   5.7019   70.984   5.1079   94.580   4.0434   97.367   3.5185 -2.786987 5.359957 
1 1 1   19    7   10 o   62.041   4.3314   29.039   3.9814   32.527   5.4005   24.886   5.8929   65.432   5.5893   56.811   7.1130 8.621120 9.046247 
1 1 1   19    7   11 o   58.378   4.3411   25.760   3.7515   23.774   5.5532   27.427   5.0881   55.493   6.8576   59.944   5.7641 -4.450821 8.958329 
1 1 1   19    7   12 o   20.118   8.1203   1.5361   3.7594  -1.7511   7.1389   2.7975   4.4223   23.217   10.312   23.072   8.9651 0.1449738 13.66386 
1 1 1   19    7   13 o   66.363   3.8245   33.307   3.7682   35.285   5.8992   31.944   4.8974   67.660   5.9070   64.620   5.1252 3.039970 7.820501 
1 1 1   19    7   14 o   50.132   5.8830   19.674   4.3136   24.504   6.3933   15.638   5.8444   54.976   8.0372   43.098   9.3629 11.87775 12.33939 
1 1 1   19    7   15 o   42.650   5.8744   14.486   3.6364   13.145   6.2821   15.162   4.4595   38.136   10.643   42.991   7.2127 -4.854702 12.85698 
1 1 1   19    7   16 o   21.423   8.9805   2.0119   4.8301  -3.8952   9.9679   3.8246   5.5217   23.732   11.134   24.297   9.8292 -0.5652580 14.85189 
1 1 1   19    8    0 o  207.390   4.3233  321.652   13.355  321.652   13.355  321.652   13.355  207.390   4.3233  207.390   4.3233 0.000000 0.000000 
1 1 1   19    8    1 o  166.273   3.2594  206.640   8.0803  216.971   11.377  196.125   11.478  170.182   4.4839  161.750   4.7593 8.431992 6.538850 
1 1 1   19    8    2 o   88.447   2.7503   58.429   3.6269   58.754   3.9274   56.540   9.4540   88.679   2.9704   86.187   7.4296 2.491333 8.001373 
1 1 1   19    8    3 o  108.137   2.6202   87.331   4.2246   86.834   4.7474   89.223   9.2606  107.803   2.9536  108.789   5.7295 -0.9859085 6.446031 
1 1 1   19    8    4 f  103.848   2.4553   80.529   3.8017   84.299   4.9316   75.006   5.9685  106.198   3.1146  100.087   3.9996 6.110619 5.069272 
1 1 1   19    8    5 o   91.040   3.1983   61.973   4.3413   61.925   4.9141   62.144   9.2653   90.966   3.6232   90.415   6.9257 0.5511856 7.816241 
1 1 1   19    8    6 o  148.165   2.2506  163.918   4.9718  161.817   6.6831  166.521   7.4400  147.115   3.0468  149.194   3.3447 -2.078537 4.524369 
1 1 1   19    8    7 o   12.051   5.7645  -4.0148   2.9322   0.0517   4.1869  -7.9294   4.1079   19.319   8.2408   12.926   6.3301 6.392980 10.39137 
1 1 1   19    8    8 o   31.073   9.0887   7.5608   4.4776   6.3146   7.9233   8.1456   5.4274   32.178   12.125   32.476   10.119 -0.2980003 15.79296 
1 1 1   19    8    9 o  124.761   2.6538  116.352   4.9365  117.492   6.9489  115.191   7.0141  125.207   3.7223  123.962   3.7950 1.245224 5.315815 
1 1 1   19    8   10 o   74.399   3.8561   41.642   4.2628   40.997   5.6768   42.475   6.4549   73.545   5.2108   74.709   5.8414 -1.164833 7.827795 
1 1 1   19    8   11 o   18.809   7.8982   0.5529   3.7467  -9.5004   5.9500   7.1584   4.8230   16.277   7.8915   30.314   9.5543 -14.03685 12.39196 
1 1 1   19    8   12 o   47.650   5.9423   17.585   4.1300   11.882   7.2217   20.356   5.0345   37.890   11.651   51.049   6.7824 -13.15909 13.48128 
1 1 1   19    8   13 o   41.148   6.3292   13.364   3.7586   8.3999   5.4570   17.846   5.1844   31.977   10.172   47.144   7.6369 -15.16755 12.71965 
1 1 1   19    8   14 o   15.338   7.0083  -1.9030   3.5767  -1.0280   5.1074  -2.7451   5.0104   19.434   8.6706   17.849   8.2068 1.584558 11.93866 
1 1 1   19    8   15 o   17.400   7.2937   0.9001   3.1857  -0.1748   4.8541   1.7134   4.2221   19.408   8.5669   20.351   8.4524 -0.9423180 12.03472 
1 1 1   19    8   16 o   40.606   6.3092   13.646   3.6958   16.874   6.5196   12.118   4.4862   41.848   10.474   36.892   8.3505 4.955872 13.39513 
1 1 1   19    9    0 o   75.316   2.7021   42.486   3.0254   42.486   3.0254   42.486   3.0254   75.316   2.7021   75.316   2.7021 0.000000 0.000000 
1 1 1   19    9    1 o  152.432   1.9573  173.405   4.4483  167.642   10.740  174.599   4.8872  149.469   4.8191  152.939   2.1433 -3.469971 5.274220 
1 1 1   19    9    2 o   96.489   1.8727   69.477   2.6942   69.662   3.8254   69.294   3.7951   96.569   2.6569   96.314   2.6428 0.2540970 3.747434 
1 1 1   19    9    3 o   46.641   3.6238   16.378   2.5002   15.160   3.1898   18.319   4.0262   44.678   4.8672   49.030   5.6084 -4.352894 7.425905 
1 1 1   19    9    4 o   86.586   2.8656   56.035   3.6994   55.741   7.8057   56.120   4.2012   85.751   6.1460   86.620   3.2530 -0.8692017 6.953832 
1 1 1   19    9    5 o   24.930   6.5168   4.8704   2.4494   4.5456   3.4490   5.2009   3.4793   24.836   8.1040   26.146   8.0947 -1.310711 11.45426 
1 1 1   19    9    6 o  130.809   2.5990  127.863   5.0689  143.301   7.0524  111.366   7.2905  138.361   3.4187  121.880   4.0119 16.48145 5.270948 
1 1 1   19    9    7 o  117.601   2.3479  103.312   4.1168   98.879   5.9015  107.515   5.7457  114.914   3.4444  119.861   3.2151 -4.947182 4.711803 
1 1 1   19    9    8 o  145.285   2.1889  157.652   4.7415  147.018   7.0446  166.460   6.4111  140.118   3.3720  149.185   2.8823 -9.066940 4.436007 
1 1 1   19    9    9 o  106.626   2.5864   85.003   4.1117   83.760   6.3227   85.914   5.4125  105.627   4.0147  107.084   3.3900 -1.456573 5.254553 
1 1 1   19    9   10 f  128.811   2.5278  124.100   4.8547  127.123   7.2892  121.689   6.5082  130.114   3.7574  127.380   3.4268 2.734001 5.085370 
1 1 1   19    9   11 o   64.771   3.7762   31.666   3.6309   23.493   5.5576   37.752   4.7959   54.898   6.9453   70.544   4.5846 -15.64613 8.321992 
1 1 1   19    9   12 o   47.500   4.9026   17.333   3.4222   18.267   5.2785   16.656   4.4949   47.817   7.6625   45.953   6.7627 1.864357 10.21999 
1 1 1   19    9   13 o   60.361   4.2840   27.876   3.8304   36.356   6.8362   23.995   4.6244   67.696   6.8681   55.439   5.6746 12.25670 8.909109 
1 1 1   19    9   14 o   36.897   6.7547   11.154   3.5790   19.090   6.8100   8.1255   4.2068   46.305   10.144   30.680   8.7618 15.62484 13.40431 
1 1 1   19    9   15 o   63.454   4.5848   31.462   4.3084   25.279   10.420   32.738   4.7318   48.226   13.795   64.483   4.9597 -16.25690 14.65969 
1 1 1   19    9   16 o   49.492   5.2155   19.772   3.7906   11.245   6.6651   23.849   4.6085   32.715   11.273   53.904   5.8269 -21.18924 12.68944 
1 1 1   19   10    0 o   63.448   18.885   38.035   15.549   38.035   15.549   38.035   15.549   63.448   18.885   63.448   18.885 0.000000 0.000000 
1 1 1   19   10    1 o  209.767   3.8428  329.610   12.019  351.086   14.364  279.464   21.948  216.315   4.4536  191.783   7.6757 24.53212 8.874147 
1 1 1   19   10    2 o   20.126   6.2846   3.0369   2.0921   3.7192   7.1298   2.9726   2.1884   28.486   11.288   20.074   6.4475 8.411449 12.99973 
1 1 1   19   10    3 o   58.649   3.9675   25.897   3.4489   33.472   7.6123   23.941   3.8688   65.863   7.9100   56.273   4.6529 9.590382 9.177032 
1 1 1   19   10    4 o  109.783   2.9322   90.124   4.7995   87.930   8.5305   91.140   5.8056  108.067   5.2944  110.325   3.5294 -2.258217 6.362960 
1 1 1   19   10    5 o   16.407   7.0583  -0.1909   3.1186  -6.5623   6.9213   1.4322   3.4933   19.867   9.3070   19.546   7.8492 0.3214512 12.17498 
1 1 1   19   10    6 o  116.734   2.4058  101.816   4.1873   96.815   6.3351  105.696   5.5800  113.651   3.7386  118.842   3.1491 -5.191826 4.888181 
1 1 1   19   10    7 o  100.548   2.4149   75.547   3.6203   74.857   5.4896   76.079   4.8159   99.929   3.6845  100.809   3.2041 -0.8804474 4.882833 
1 1 1   19   10    8 o   46.537   4.4357   16.431   3.0405   12.672   4.6671   19.202   4.0077   39.973   8.1082   50.137   5.4489 -10.16479 9.768979 
1 1 1   19   10    9 o   60.391   5.0243   27.723   4.4829   35.003   7.6970   23.985   5.5148   67.060   7.8465   55.688   6.7820 11.37153 10.37129 
1 1 1   19   10   10 o  121.998   2.7716  111.486   5.0415  106.821   9.5098  113.310   5.9458  118.640   5.3762  122.883   3.2452 -4.243881 6.279711 
1 1 1   19   10   11 f  139.881   2.6479  146.680   5.5224  138.515   10.171  150.094   6.5761  134.945   5.0552  141.346   3.1204 -6.401352 5.940712 
1 1 1   19   10   12 o  119.380   3.0612  107.307   5.4486   87.658   9.0523  118.470   6.8230  106.452   5.7244  125.172   3.6559 -18.72015 6.792264 
1 1 1   19   10   13 o   34.565   7.0716   9.8391   3.5215   7.5113   6.7000   10.728   4.1394   30.348   11.206   35.724   7.9737 -5.376455 13.75297 
1 1 1   19   10   14 o   34.121   7.1258   9.7899   3.5082   15.423   6.4978   7.4726   4.1678   40.591   10.616   29.158   8.8284 11.43259 13.80707 
1 1 1   19   10   15 o   72.299   4.1907   40.761   4.4980   32.601   7.6809   45.020   5.5490   60.382   8.7895   75.332   4.9684 -14.94946 10.09658 
1 1 1   19   11    0 o   88.706   7.3181   60.294   9.5272   60.294   9.5272   60.294   9.5272   88.706   7.3181   88.706   7.3181 0.000000 0.000000 
1 1 1   19   11    1 o  102.497   4.7615   78.979   7.2766   79.596   9.7026   78.185   11.000  102.366   6.3891  101.150   7.3442 1.215927 9.734390 
1 1 1   19   11    2 o   65.712   2.2742   32.253   2.2281   32.817   7.8941   32.204   2.3226   65.013   8.3358   65.656   2.3726 -0.6431198 8.666911 
1 1 1   19   11    3 o   83.708   3.3003   52.457   4.1190   48.223   8.1620   53.903   4.7711   79.398   6.9651   84.799   3.7736 -5.401100 7.921654 
1 1 1   19   11    4 o  112.553   2.8068   94.736   4.7102   85.224   9.0751   98.244   5.5106  106.070   5.7599  114.560   3.2262 -8.489708 6.601932 
1 1 1   19   11    5 o   40.702   7.6859   13.038   4.4933   16.203   9.3975   12.101   5.1159   44.551   13.205   38.905   8.9988 5.645950 15.97950 
1 1 1   19   11    6 o   85.557   3.7444   54.899   4.7764   72.940   8.5137   46.612   5.7700   98.027   5.8518   78.507   4.9549 19.51915 7.667736 
1 1 1   19   11    7 o   99.219   2.8703   73.671   4.2461   58.644   8.6432   78.451   4.8750   87.550   6.6716  102.340   3.1949 -14.79037 7.397092 
1 1 1   19   11    8 o  130.958   2.6012  128.306   5.0790  117.361   9.7321  132.403   5.9541  124.573   5.2398  132.953   3.0036 -8.380325 6.039615 
1 1 1   19   11    9 o   62.486   5.7921   29.954   5.3348   32.184   12.125   29.419   5.9408   61.275   13.624   61.675   6.5612 -0.3998528 15.12193 
1 1 1   19   11   10 o   53.345   4.6075   21.716   3.6286   14.125   7.0127   24.491   4.2404   40.870   11.183   56.538   5.0848 -15.66775 12.28511 
1 1 1   19   11   11 o   82.475   3.5227   51.345   4.3319   42.410   7.9772   55.082   5.1587   73.106   7.4215   85.251   4.0586 -12.14515 8.458767 
1 1 1   19   11   12 f   71.031   3.8099   38.457   4.0202   32.087   7.2478   41.287   4.8315   62.612   7.9425   73.321   4.4406 -10.70860 9.099545 
1 1 1   19   11   13 o   45.222   5.5278   16.269   3.6495   14.882   6.6224   16.874   4.3735   39.917   10.845   45.458   6.6495 -5.540764 12.72138 
1 1 1   19   11   14 o   57.925   4.9276   26.546   4.2153   21.210   11.098   27.446   4.5567   42.062   14.543   58.668   5.2654 -16.60637 15.46667 
1 1 1   19   11   15 o   46.272   5.7652   17.692   3.8911   10.448   7.1759   20.710   4.6311   31.060   11.571   49.548   6.4198 -18.48790 13.23278 
1 1 1   19   12    0 o   14.897   10.413  -8.2295   8.5406  -8.2295   8.5406  -8.2295   8.5406   14.897   10.413   14.897   10.413 0.000000 0.000000 
1 1 1   19   12    1 o   53.686   8.4371   22.607   6.5307   20.298   8.7601   25.497   9.7984   49.782   11.953   55.837   12.118 -6.054485 17.02103 
1 1 1   19   12    2 o   70.324   7.0987   38.011   7.3412   41.091   8.5581   29.433   14.283   72.855   8.0108   58.703   15.918 14.15253 17.82030 
1 1 1   19   12    3 o   73.347   3.4539   40.312   3.7772   38.973   10.219   40.524   4.0650   70.177   10.054   73.416   3.7259 -3.239098 10.72211 
1 1 1   19   12    4 o   78.298   3.6364   45.970   4.2451   35.125   10.323   48.177   4.6571   66.218   10.830   80.121   3.8986 -13.90288 11.51043 
1 1 1   19   12    5 o   87.043   2.8447   56.694   3.6918   69.783   8.3369   53.501   4.1175   95.818   5.8639   84.506   3.2680 11.31161 6.713026 
1 1 1   19   12    6 f   94.574   2.7857   66.936   3.9281   66.106   8.5681   67.157   4.4199   93.081   6.2095   94.682   3.1310 -1.601212 6.954177 
1 1 1   19   12    7 o   69.423   4.4661   36.473   4.5982   46.373   7.8823   31.366   5.6613   77.572   6.8868   63.961   6.0069 13.61060 9.138415 
1 1 1   19   12    8 o   49.699   5.0707   18.904   3.7047   26.133   11.311   18.035   3.9210   54.905   13.826   48.413   5.5314 6.492092 14.89111 
1 1 1   19   12    9 o   69.239   4.3817   36.415   4.5001   25.929   7.4731   42.381   5.6366   56.556   9.1768   74.476   5.1069 -17.92001 10.50214 
1 1 1   19   12   10 o   82.837   3.3070   51.709   4.0844   47.448   7.7913   53.324   4.7963   77.770   6.7874   83.967   3.8311 -6.197166 7.794023 
1 1 1   19   12   11 o   28.864   7.8070   6.9340   3.4409   8.9942   6.7142   6.2002   4.0071   32.532   11.308   27.442   8.7151 5.090389 14.27668 
1 1 1   19   12   12 o   19.344   7.8211   1.8376   3.4939  -5.1676   8.0467   3.4653   3.8787   21.135   9.9438   22.339   8.4677 -1.203318 13.06062 
1 1 1   19   12   13 o   21.918   8.1103   3.6483   3.5136   4.5905   6.6514   3.2837   4.1380   25.893   10.669   22.002   8.6374 3.891258 13.72679 
1 1 1   19   12   14 o   17.963   7.6005   1.2202   3.5123  -3.2314   6.5487   3.0179   4.1615   19.100   8.9813   21.210   8.5496 -2.109436 12.39992 
1 1 1   19   13    0 o   28.215   15.966   8.3955   10.338   8.3955   10.338   8.3955   10.338   28.215   15.966   28.215   15.966 0.000000 0.000000 
1 1 1   19   13    1 f   67.056   9.4523   35.508   9.1881   43.348   11.930   24.078   14.405   73.417   11.258   53.055   16.478 20.36203 19.95676 
1 1 1   19   13    2 o   56.119   9.1166   24.949   7.3663   26.534   10.736   23.538   10.126   56.433   13.024   53.149   12.907 3.284065 18.33606 
1 1 1   19   13    3 o   79.827   2.3181   47.629   2.7590   36.100   8.3996   49.024   2.9211   67.938   8.4767   80.977   2.4194 -13.03934 8.815258 
1 1 1   19   13    4 o   56.904   4.2401   24.492   3.5716   16.549   8.0712   26.426   3.9828   44.721   11.897   59.055   4.5586 -14.33370 12.74051 
1 1 1   19   13    5 o   82.630   2.7706   51.114   3.4133   38.891   8.3282   53.582   3.7421   70.576   8.0590   84.575   2.9675 -13.99940 8.587990 
1 1 1   19   13    6 o   28.874   7.0725   6.6494   3.0206   3.0618   6.9917   7.4727   3.3493   27.147   11.033   30.566   7.4233 -3.418953 13.29746 
1 1 1   19   13    7 o   71.730   3.5005   38.683   3.7437   27.577   10.850   40.184   3.9887   56.596   13.114   72.987   3.6772 -16.39106 13.61990 
1 1 1   19   13    8 o   54.199   5.8556   22.752   4.6567   27.845   7.2664   19.203   6.0661   58.888   8.5239   48.666   8.6785 10.22245 12.16442 
1 1 1   19   13    9 o   52.970   5.2758   21.698   4.1112   18.670   7.1893   23.169   5.0115   46.711   10.570   54.350   6.3013 -7.638515 12.30542 
1 1 1   19   13   10 o   49.793   5.1006   19.282   3.7332   15.896   6.7193   20.795   4.4899   42.408   10.644   51.343   5.9771 -8.934616 12.20700 
1 1 1   19   13   11 o   42.812   6.5672   14.904   4.0581   16.394   6.9556   14.135   4.9967   42.077   10.973   40.572   8.5308 1.504330 13.89918 
1 1 1   19   13   12 o   35.887   6.6568   10.740   3.4306   10.097   6.7230   10.966   3.9891   32.396   11.312   35.651   7.7276 -3.255245 13.69979 
1 1 1   19   13   13 f   42.696   6.1687   15.149   3.8130   21.811   10.003   14.016   4.1245   42.550   13.797   40.390   7.1086 2.160492 15.52039 
1 1 1   19   13   14 o   20.296   8.0539   3.0453   3.6342   6.9939   6.8159   1.4769   4.2958   26.620   10.864   19.104   8.2510 7.515949 13.64213 
1 1 1   19   14    0 o   46.434   16.253   21.762   10.190   21.762   10.190   21.762   10.190   46.434   16.253   46.434   16.253 0.000000 0.000000 
1 1 1   19   14    1 o   54.036   8.8391   23.205   6.8751   31.627   9.0444   11.676   10.581   62.794   9.9954   39.347   14.148 23.44632 17.32296 
1 1 1   19   14    2 o   55.071   8.4521   23.984   6.7183   25.751   8.7635   21.464   10.463   56.149   10.861   50.212   13.628 5.937351 17.42613 
1 1 1   19   14    3 o   40.960   10.613   13.811   6.5343   21.550   8.3251   1.3926   10.545   51.050   11.242   30.366   13.019 20.68405 17.20080 
1 1 1   19   14    4 o   36.589   5.6595   10.402   2.9878   1.9708   7.6760   11.908   3.2436   27.030   11.325   39.184   5.7206 -12.15446 12.68826 
1 1 1   19   14    5 o   45.971   5.5889   16.309   3.7519   12.916   7.6795   17.373   4.3001   39.365   11.998   47.273   6.2545 -7.907860 13.53067 
1 1 1   19   14    6 o   39.706   5.1990   12.187   3.0039   13.593   7.7562   11.938   3.2582   40.045   12.025   39.140   5.7551 0.9053192 13.33155 
1 1 1   19   14    7 o   72.249   3.3769   39.309   3.6376   35.418   7.7388   40.412   4.1213   66.693   7.9385   73.064   3.7963 -6.371521 8.799520 
1 1 1   19   14    8 o   33.489   6.4162   8.9850   3.0870   8.4318   6.3676   9.1550   3.5295   32.108   11.021   33.530   7.2697 -1.421200 13.20238 
1 1 1   19   14    9 o   33.894   6.7927   9.3639   3.3131   21.383   6.6410   5.3813   3.8228   50.231   9.2066   25.845   8.5367 24.38619 12.55537 
1 1 1   19   14   10 o   54.745   4.3675   23.193   3.5352   21.579   7.1289   23.720   4.0711   49.188   10.060   55.052   5.0149 -5.863724 11.24050 
1 1 1   19   14   11 o   20.140   8.3214   1.9389   4.0617   4.6627   8.9134   1.2251   4.5630   27.707   11.926   20.079   8.5850 7.627439 14.69462 
1 1 1   19   14   12 o   49.483   5.2908   19.739   3.8429   7.2391   9.5980   22.126   4.1937   28.960   12.418   52.289   5.4598 -23.32955 13.56546 
1 1 1   19   14   13 o   44.571   6.3910   16.943   4.1255   18.270   7.2553   16.309   5.0152   40.611   11.475   41.984   8.3060 -1.373558 14.16558 
1 1 1   19   15    0 o   37.639   16.768   16.066   9.9764   16.066   9.9764   16.066   9.9764   37.639   16.768   37.639   16.768 0.000000 0.000000 
1 1 1   19   15    1 o   94.301   5.4637   67.841   7.6491   68.774   10.035   66.547   11.817   94.167   7.2019   91.792   8.7400 2.375206 11.32496 
1 1 1   19   15    2 o   38.609   11.316   12.415   6.9352   12.180   8.8460   12.788   11.172   38.622   12.992   40.152   14.524 -1.530098 19.48684 
1 1 1   19   15    3 o   18.758   8.7740  -5.2517   6.1107  -7.3338   7.5209  -1.2074   10.482   20.203   9.5380   28.192   12.509 -7.988838 15.73053 
1 1 1   19   15    4 o   38.229   5.2648   11.328   2.9213   8.7086   12.379   11.482   3.0062   36.873   14.787   38.458   5.3909 -1.585308 15.73907 
1 1 1   19   15    5 o   44.639   5.5411   15.466   3.6085   14.650   7.3616   15.724   4.1400   41.276   11.522   44.733   6.3888 -3.457504 13.17489 
1 1 1   19   15    6 o   23.219   7.1020   4.2617   2.6874   4.1564   7.0406   4.2797   2.9076   27.660   11.131   23.390   7.4233 4.270638 13.37912 
1 1 1   19   15    7 o   53.157   3.9046   21.553   3.0730   19.625   6.8787   22.033   3.4348   47.911   9.9545   53.611   4.3342 -5.699722 10.85714 
1 1 1   19   15    8 o   55.572   4.1102   23.699   3.3814   30.668   7.0916   21.648   3.8469   61.038   7.9838   52.762   4.9478 8.275791 9.392631 
1 1 1   19   15    9 o   47.225   4.6137   17.394   3.2071   12.006   6.6103   19.053   3.6677   35.745   11.173   49.226   5.0697 -13.48109 12.26901 
1 1 1   19   15   10 o   36.583   6.0002   10.961   3.1592   11.465   6.3915   10.798   3.6342   34.284   11.019   35.710   7.0759 -1.425934 13.09558 
1 1 1   19   15   11 o   23.949   7.7281   5.0026   3.1413   10.466   6.6373   3.4255   3.5660   31.915   11.234   21.289   8.1073 10.62624 13.85405 
1 1 1   19   15   12 o   36.517   6.5120   11.488   3.4155   25.073   7.5457   7.9877   3.8303   49.530   10.542   29.048   8.3803 20.48176 13.46676 
1 1 1   19   16    0 o   28.912   17.467   7.9001   13.801   7.9001   13.801   7.9001   13.801   28.912   17.467   28.912   17.467 0.000000 0.000000 
1 1 1   19   16    1 o   22.736   10.723  -8.1880   9.4614  -4.5383   12.847 -12.5132   13.986   28.826   13.212   26.797   12.755 2.028419 18.36431 
1 1 1   19   16    2 o   26.123   11.015   2.0050   7.3360   7.0399   8.5624 -11.8912   14.225   32.230   12.488   27.220   12.929 5.010511 17.97552 
1 1 1   19   16    3 o   99.015   4.9311   74.794   7.2797   80.236   9.7962   68.083   10.879  101.518   6.5063   92.508   7.9650 9.009438 10.28466 
1 1 1   19   16    4 f   37.631   4.5561   10.931   2.5042   2.8187   7.3825   11.986   2.6621   26.688   11.138   39.411   4.6179 -12.72271 12.05770 
1 1 1   19   16    5 o   30.421   6.9126   7.5437   3.0641  -0.8885   6.5437   9.9118   3.4678   22.177   9.8600   34.977   6.8948 -12.79946 12.03154 
1 1 1   19   16    6 o   49.117   4.2359   18.545   3.0717   22.339   7.0612   17.659   3.4114   51.069   9.6268   47.692   4.8657 3.376537 10.78654 
1 1 1   19   16    7 o   30.315   6.4771   7.5458   2.8387   8.6199   6.7400   7.3142   3.1298   31.479   11.295   29.589   7.1696 1.889614 13.37818 
1 1 1   19   16    8 o   22.333   8.1867   3.7604   3.5664   6.2323   6.2588   2.5718   4.3400   27.796   10.703   21.493   8.7074 6.302330 13.79759 
1 1 1   19   16    9 o   16.442   6.9135   0.8373   2.8767  -0.9819   6.3505   1.3069   3.2267   20.668   9.4025   17.803   7.3913 2.864674 11.95986 
1 1 1   19   16   10 o   17.194   7.2789   1.0136   3.2239   23.856   9.5784  -1.9048   3.4237   45.307   13.305   14.459   6.6963 30.84776 14.89489 
1 1 1   19   16   11 o   15.253   6.8199  -0.3282   3.1776  -3.2394   6.6841   0.5218   3.6118   18.853   8.9280   17.038   7.4591 1.815102 11.63391 
1 1 1   19   17    0 o   73.135   9.4066   43.145   9.7913   43.145   9.7913   43.145   9.7913   73.135   9.4066   73.135   9.4066 0.000000 0.000000 
1 1 1   19   17    1 o   72.986   6.7608   42.133   7.2736   45.358   9.8404   38.250   10.799   74.099   9.0981   66.268   11.337 7.830872 14.53655 
1 1 1   19   17    2 o   42.244   10.037   15.425   6.2281   24.257   8.2811   3.9247   9.4498   52.678   10.903   29.493   12.472 23.18570 16.56596 
1 1 1   19   17    3 o   89.551   4.9559   61.862   6.5913   67.707   8.9222   54.840   9.7798   92.595   6.5039   82.041   8.1010 10.55489 10.38881 
1 1 1   19   17    4 o   38.803   9.8610   13.221   5.7169   15.166   7.4154   10.371   8.9761   40.567   11.648   34.486   12.923 6.081738 17.39744 
1 1 1   19   17    5 o   19.523   7.3036   2.5437   2.8647 -10.7761   6.6995   5.5241   3.1690   16.529   8.0924   25.728   7.6778 -9.198967 11.15502 
1 1 1   19   17    6 o   69.507   3.8193   37.085   3.9428   28.567   7.2613   40.646   4.6953   57.621   8.7252   72.462   4.3664 -14.84075 9.756749 
1 1 1   19   17    7 o   52.944   3.6249   21.573   2.8442   17.759   6.6879   22.415   3.1426   43.331   10.469   53.819   3.9438 -10.48758 11.18713 
1 1 1   19   17    8 o   38.627   5.1676   12.020   2.9016   0.9719   6.4947   14.776   3.2432   22.108   9.8263   42.873   5.1786 -20.76470 11.10739 
1 1 1   19   17    9 o   57.082   4.0581   25.550   3.4312   17.700   9.7248   26.666   3.6671   37.432   13.549   58.178   4.2571 -20.74633 14.20237 
1 1 1   19   17   10 o   15.038   6.7305  -0.3282   3.1031   1.8828   6.9661  -0.8755   3.4659   22.205   9.9994   15.241   6.9386 6.964323 12.17095 
1 1 1   19   17   11 o   21.256   7.8668   4.0867   3.3060   0.8437   6.8917   5.0560   3.7679   20.711   9.5596   22.956   8.4148 -2.245350 12.73559 
1 1 1   19   18    0 o   50.362   13.300   23.850   8.6282   23.850   8.6282   23.850   8.6282   50.362   13.300   50.362   13.300 0.000000 0.000000 
1 1 1   19   18    1 o   50.839   8.2156   21.735   6.0150   17.447   8.2897   26.502   8.7411   42.474   12.350   53.725   11.272 -11.25169 16.72081 
1 1 1   19   18    2 o   20.567   9.6494  -4.7467   7.4889   0.0000   0.0000  -4.7467   7.4889  ?   ?    20.567   9.6494 0.000000 9.649445 
1 1 1   19   18    3 o   20.941   9.1116   0.6773   5.3168  -1.4208   7.2494   3.1196   7.8213   22.106   10.053   26.150   11.212 -4.043087 15.05851 
1 1 1   19   18    4 f   20.092   8.8560   0.1617   5.1688   5.6613   6.8724  -7.0010   7.8430   27.446   11.014   19.683   9.4186 7.763102 14.49182 
1 1 1   19   18    5 o   63.273   3.5761   30.764   3.3598   24.003   7.4396   32.496   3.7657   50.848   10.168   64.845   3.9132 -13.99701 10.89537 
1 1 1   19   18    6 o   39.137   5.7394   12.528   3.2496   13.995   6.5442   12.047   3.7437   37.255   11.014   37.642   6.9258 -0.3869781 13.01025 
1 1 1   19   18    7 o   43.980   3.9549   15.145   2.5656   10.127   6.4620   16.085   2.7954   31.254   11.076   45.199   4.1959 -13.94530 11.84394 
1 1 1   19   18    8 o   26.397   6.7770   6.1520   2.6809  -3.8234   6.6955   8.0567   2.9257   18.635   8.8570   30.384   6.6435 -11.74823 11.07172 
1 1 1   19   18    9 o   13.948   6.3165  -0.6783   2.8256  -2.9301   6.4038  -0.1340   3.1487   18.350   8.7040   15.256   6.8074 3.093365 11.04984 
1 1 1   19   18   10 o   54.812   4.2447   24.245   3.4419   16.412   6.8528   26.887   3.9804   36.194   11.386   57.247   4.7050 -21.05328 12.31979 
1 1 1   19   19    0 o   20.034   12.252   3.7219   6.9721   3.7219   6.9721   3.7219   6.9721   20.034   12.252   20.034   12.252 0.000000 0.000000 
1 1 1   19   19    1 o   25.773   9.9495   5.3655   5.4192   5.7937   7.6270   4.9289   7.7014   27.555   11.395   26.826   11.298 0.7283802 16.04651 
1 1 1   19   19    2 o   31.248   10.387   9.3582   5.6563   11.291   7.8527   7.2744   8.1543   33.140   12.148   29.025   11.869 4.115648 16.98339 
1 1 1   19   19    3 o   36.807   9.4157   12.700   5.1880   8.2366   7.2349   17.425   7.4436   29.476   11.463   41.038   11.632 -11.56144 16.33147 
1 1 1   19   19    4 o   26.545   9.7348   6.4006   5.0436   12.513   7.2682   0.7238   7.0044   34.164   11.772   22.315   10.040 11.84981 15.47140 
1 1 1   19   19    5 o   30.076   5.8413   7.5884   2.5250   9.4734   6.7909   7.2860   2.7200   30.131   11.250   29.129   6.4345 1.001621 12.96041 
1 1 1   19   19    6 o   22.116   7.5890   4.2761   3.0194   7.7814   6.9726   3.4671   3.3498   27.697   11.101   20.807   7.8735 6.889297 13.60983 
1 1 1   19   19    7 o   42.036   6.0956   15.081   3.7090   13.652   9.0291   15.371   4.0680   32.042   12.701   41.880   6.7438 -9.838394 14.38053 
1 1 1   19   19    8 o   12.544   5.8235  -1.4260   2.6123   12.861   9.6560  -2.5543   2.7135   29.784   12.602   11.797   5.6158 17.98726 13.79693 
1 1 1   19   20    0 o   19.163   12.170   2.7159   7.5723   2.7159   7.5723   2.7159   7.5723   19.163   12.170   19.163   12.170 0.000000 0.000000 
1 1 1   19   20    1 o   24.567   9.6286   5.2353   5.1350  -0.1482   7.0869   11.186   7.4507   21.395   9.8089   31.641   11.790 -10.24590 15.33688 
1 1 1   19   20    2 o   28.530   9.9079   8.1527   5.1540   5.3100   7.2754   11.017   7.3024   25.551   10.880   31.344   11.674 -5.793053 15.95778 
1 1 1   19   20    3 o   20.203   8.8563   1.4837   5.1063   2.8400   7.1020   0.0322   7.3470   23.241   10.305   21.528   9.9131 1.712944 14.29931 
1 1 1   19   20    4 o   28.075   9.8740   8.1472   5.1264   9.0642   6.9521   7.0544   7.5895   28.603   11.205   26.620   11.213 1.983299 15.85218 
1 1 1   19   20    5 o   19.378   8.7034   0.8128   5.2380   5.3669   7.0539  -4.7847   7.8205   24.584   10.595   19.051   9.1903 5.532288 14.02582 
1 1 1   19   20    6 o   16.987   7.2168   1.3794   3.1875   1.6424   8.6245   1.3377   3.4303   22.377   10.453   17.297   7.4207 5.080799 12.81894 
1 1 1   19   20    7 o   18.071   7.5982   2.0971   3.4746   8.7487   9.4844   1.0660   3.7342   25.876   11.659   17.171   7.5492 8.705853 13.88935 
1 1 1   19   21    0 o   17.458   11.581   0.5141   7.9788   0.5141   7.9788   0.5141   7.9788   17.458   11.581   17.458   11.581 0.000000 0.000000 
1 1 1   19   21    1 o   24.979   9.7296   6.3675   5.2185   6.2307   7.3009   6.5105   7.4619   25.074   10.793   25.337   10.909 -0.2625408 15.34592 
1 1 1   19   21    2 o   15.539   7.4769  -4.2787   5.0985  -5.0400   7.0584  -3.4480   7.3725   17.844   8.6378   18.906   9.0692 -1.061577 12.52443 
1 1 1   19   21    3 o   17.984   8.4674  -1.6998   5.8548   2.7862   10.102  -3.9690   7.1846   23.477   11.075   18.324   8.8317 5.153135 14.16500 
1 1 1   19   21    4 o   27.296   10.566   9.0899   6.1243   6.6529   7.6732   13.367   10.165   24.644   10.828   28.872   12.580 -4.228722 16.59876 
1 1 1   19   21    5 o   26.789   10.478   9.0843   6.0712   2.6551   7.0807   26.934   11.798   21.216   9.7553   35.989   14.435 -14.77313 17.42212 
1 1 1   19   22    0 o   12.557   8.8994  -6.4399   6.9486  -6.4399   6.9486  -6.4399   6.9486   12.557   8.8994   12.557   8.8994 0.000000 0.000000 
1 1 1   19   22    1 o   21.331   9.2306   4.2180   5.3974  -8.3031   7.8824   15.272   7.4061   16.752   8.3087   31.823   11.775 -15.07180 14.41138 
1 1 1   19   22    2 o   29.306   9.9740   10.689   5.2145   12.030   7.2254   9.2317   7.5329   28.254   11.309   25.452   10.960 2.801590 15.74826 
1 1 1   19   22    3 o   15.244   7.4910  -5.8565   5.9094  -8.0245   6.7595   1.1733   12.172   15.460   7.6726   21.642   10.658 -6.181994 13.13220 
1 1 1   20    1    0 o   18.029   10.371   3.0524   4.4627   3.0524   4.4627   3.0524   4.4627   18.029   10.371   18.029   10.371 0.000000 0.000000 
1 1 1   20    1    1 o  174.557   2.1325  227.264   5.5500  232.337   7.6214  221.537   8.0981  176.458   2.8968  172.293   3.1524 4.164276 4.281287 
1 1 1   20    1    2 o   76.110   3.0967   43.231   3.5140   43.074   4.3788   43.516   5.8897   75.848   3.8851   76.106   5.2220 -0.2578735 6.508675 
1 1 1   20    1    3 o   96.360   2.6720   69.280   3.8388   70.040   4.9894   68.179   6.0097   96.858   3.4550   95.528   4.2194 1.329971 5.453467 
1 1 1   20    1    4 o  266.763   2.2311  530.864   8.8740  547.397   13.265  517.473   11.939  270.779   3.2857  263.301   3.0411 7.477844 4.477088 
1 1 1   20    1    5 o  287.080   2.1272  614.813   9.1051  624.292   12.714  604.835   13.045  289.194   2.9487  284.635   3.0739 4.558411 4.259583 
1 1 1   20    1    6 o   63.070   3.6659   29.822   3.4324   37.849   4.6203   19.935   5.1277   71.004   4.3858   51.052   6.9144 19.95148 8.188057 
1 1 1   20    1    7 o   49.376   4.2071   18.367   3.0677   17.986   4.2300   18.790   4.4555   48.599   5.9628   49.656   6.1495 -1.057144 8.565697 
1 1 1   20    1    8 o  131.601   2.2901  129.253   4.4935  126.586   6.2956  132.023   6.4158  130.163   3.2440  132.929   3.2371 -2.766403 4.582831 
1 1 1   20    1    9 o  161.130   2.2315  193.782   5.3611  199.336   7.7185  188.605   7.4519  163.323   3.1697  158.868   3.1460 4.454147 4.465891 
1 1 1   20    1   10 o  114.581   2.6215   98.058   4.4784  101.745   6.6270   94.959   6.0758  116.593   3.8122  112.661   3.6171 3.932724 5.255085 
1 1 1   20    1   11 o   52.692   6.0185   21.187   4.6435   30.916   7.0265   13.644   6.1870   63.422   7.5809   41.347   10.119 22.07533 12.64338 
1 1 1   20    1   12 o  119.733   2.8156  107.156   5.0263  108.054   7.4291  106.398   6.8258  120.048   4.1506  119.174   3.8415 0.8741608 5.655464 
1 1 1   20    1   13 o  138.979   2.7865  144.439   5.7740  145.165   7.9594  143.633   8.3887  139.134   3.8369  138.348   4.0668 0.7860718 5.591104 
1 1 1   20    1   14 o   52.040   4.7386   20.592   3.6364   8.5811   5.8263   28.257   4.6542   33.062   10.510   60.924   5.1727 -27.86239 11.71374 
1 1 1   20    1   15 o   85.608   3.6078   55.176   4.6050   44.318   10.483   57.772   5.1261   73.987   9.7392   87.520   3.9283 -13.53230 10.50164 
1 1 1   20    1   16 o   43.719   5.6242   14.967   3.5810   7.4695   5.6131   20.114   4.6504   30.343   10.348   50.487   6.3160 -20.14433 12.12330 
1 1 1   20    1   17 o   57.162   4.8214   25.395   4.0707   21.486   6.8030   27.575   5.0807   49.754   9.5176   59.028   5.8499 -9.274673 11.17163 
1 1 1   20    1   18 o   39.784   5.7077   12.806   3.2886   8.7314   5.4954   15.080   4.1048   30.685   10.240   42.650   6.6739 -11.96529 12.22293 
1 1 1   20    2    0 f  107.681   3.6755   86.805   5.8854   86.805   5.8854   86.805   5.8854  107.681   3.6755  107.681   3.6755 0.000000 0.000000 
1 1 1   20    2    1 o  102.802   2.5842   78.852   3.9609   85.474   5.3425   70.770   5.9025  107.000   3.3488   97.330   4.0674 9.670593 5.268609 
1 1 1   20    2    2 o  157.911   2.4616  186.044   5.7957  189.999   8.3788  182.417   8.0252  159.514   3.5230  156.304   3.4436 3.209503 4.926480 
1 1 1   20    2    3 f  122.400   2.3141  111.771   4.2232  109.828   5.4967  114.572   6.5981  121.297   3.0393  123.858   3.5729 -2.561165 4.690745 
1 1 1   20    2    4 o  188.499   2.0851  265.063   5.8602  264.708   7.7867  265.526   8.8996  188.324   2.7732  188.581   3.1652 -0.2571411 4.208215 
1 1 1   20    2    5 o  206.369   2.1830  317.747   6.7168  322.883   8.7386  310.332   10.500  207.974   2.8181  203.823   3.4552 4.151337 4.458757 
1 1 1   20    2    6 o  144.651   2.8373  156.221   6.1192  155.064   8.4864  157.473   8.8316  144.013   3.9523  145.113   4.0819 -1.099991 5.681764 
1 1 1   20    2    7 o   14.817   6.4994  -0.6805   2.7540  -3.0225   3.7821   1.9629   4.0182   15.328   7.0773   21.488   8.4872 -6.160823 11.05085 
1 1 1   20    2    8 o   83.502   2.9708   52.087   3.6986   50.570   5.1860   53.657   5.2764   82.080   4.2522   84.666   4.1798 -2.586082 5.962566 
1 1 1   20    2    9 o   21.104   8.0015   2.4294   3.4639   10.964   6.5071  -0.9450   4.0918   37.390   10.962   18.057   7.9214 19.33322 13.52479 
1 1 1   20    2   10 o  105.493   2.7838   83.151   4.3786   85.628   6.4783   81.069   5.9411  106.915   4.0640  104.058   3.8294 2.857269 5.583888 
1 1 1   20    2   11 o   73.002   4.1947   40.082   4.5464   44.162   7.7355   37.930   5.6195   76.092   6.8931   70.807   5.3627 5.285408 8.733500 
1 1 1   20    2   12 o   57.003   5.0691   24.635   4.2633   31.714   5.9909   17.372   6.0683   64.467   6.3138   46.861   9.0127 17.60637 11.00418 
1 1 1   20    2   13 o  161.046   2.6604  193.962   6.3881  192.571   9.0963  195.315   8.9733  160.203   3.8083  161.362   3.7298 -1.158539 5.330467 
1 1 1   20    2   14 o   51.233   4.9817   20.040   3.7572   22.456   6.2341   18.661   4.7084   53.305   8.0988   48.981   6.6166 4.324139 10.45801 
1 1 1   20    2   15 o   97.511   2.8645   71.392   4.1646   77.416   6.9015   67.943   5.2226  100.981   4.5839   94.903   3.6909 6.078117 5.885110 
1 1 1   20    2   16 o   74.739   3.8425   42.527   4.2674   38.393   6.0539   46.610   6.0164   70.049   5.8499   77.579   5.2320 -7.529732 7.848279 
1 1 1   20    2   17 o   68.035   3.8743   35.503   3.9138   34.414   5.8726   36.373   5.2495   65.671   6.0663   68.108   5.2090 -2.436874 7.995854 
1 1 1   20    2   18 o   67.178   3.7365   34.835   3.7277   35.252   6.2826   34.608   4.6310   65.358   6.5347   66.295   4.7159 -0.9370499 8.058640 
1 1 1   20    3    0 o   56.435   5.4726   24.449   4.5054   24.449   4.5054   24.449   4.5054   56.435   5.4726   56.435   5.4726 0.000000 0.000000 
1 1 1   20    3    1 o   91.640   2.7241   62.674   3.7220   64.816   4.8911   59.729   5.7368   93.158   3.5214   89.387   4.3045 3.770874 5.561391 
1 1 1   20    3    2 o  124.143   2.3984  114.992   4.4394  116.005   5.5633  113.217   7.3660  124.657   2.9932  123.083   4.0139 1.574532 5.007054 
1 1 1   20    3    3 o  205.217   2.3225  314.232   7.1062  314.340   8.5076  313.980   12.925  205.214   2.7805  204.926   4.2302 0.2874756 5.062176 
1 1 1   20    3    4 o  102.413   2.6321   78.285   4.0192   79.449   5.0781   76.334   6.5757  103.136   3.3023  101.021   4.3658 2.114754 5.474068 
1 1 1   20    3    5 o   65.556   3.6370   32.216   3.5409   31.166   4.2872   34.472   6.2806   64.379   4.4946   67.456   6.3183 -3.077156 7.753906 
1 1 1   20    3    6 o  309.990   2.1895  717.080   10.120  726.684   14.187  707.131   14.439  311.913   3.0506  307.668   3.1476 4.244293 4.383393 
1 1 1   20    3    7 o   53.886   4.0335   21.848   3.2171   21.592   4.4117   22.139   4.7015   53.333   5.6332   53.959   5.9425 -0.6253281 8.188175 
1 1 1   20    3    8 o   82.656   2.9712   51.047   3.6617   49.384   5.0662   52.866   5.2984   81.099   4.2043   83.911   4.2489 -2.811806 5.977406 
1 1 1   20    3    9 o  117.501   3.1152  103.211   5.4575   96.093   7.1834  112.929   8.3930  113.240   4.2546  122.709   4.5875 -9.468063 6.256739 
1 1 1   20    3   10 o  117.999   2.4679  104.000   4.3418  110.757   6.8444   99.449   5.6166  121.617   3.7746  115.306   3.2670 6.310875 4.992104 
1 1 1   20    3   11 o   64.960   3.7163   31.709   3.5845   28.936   5.5847   33.651   4.6743   61.608   6.1625   66.768   4.7260 -5.160042 7.766058 
1 1 1   20    3   12 o   66.272   4.2220   33.105   4.1500   31.393   5.9371   34.740   5.8033   64.096   6.2938   67.571   5.8170 -3.474739 8.570261 
1 1 1   20    3   13 o   94.880   3.3175   67.486   4.6931   57.401   8.1397   72.508   5.7440   86.648   6.3447   98.238   3.9216 -11.59056 7.458857 
1 1 1   20    3   14 o   98.872   3.0124   73.338   4.4408   66.155   6.7970   78.687   5.8658   93.300   4.9033  102.211   3.8491 -8.910843 6.233619 
1 1 1   20    3   15 o   83.344   3.6696   52.492   4.5600   61.658   6.5045   43.634   6.3944   89.741   4.8797   75.053   5.7582 14.68860 7.547730 
1 1 1   20    3   16 o   83.519   3.5183   52.922   4.3812   60.484   6.5239   46.711   5.9129   88.400   4.9700   77.551   5.1430 10.84874 7.151964 
1 1 1   20    3   17 o   86.150   3.5764   56.688   4.5938   68.665   8.2762   51.355   5.5227   92.642   6.0245   81.266   4.5766 11.37550 7.565721 
1 1 1   20    4    0 o  163.364   2.9587  199.275   7.2013  199.275   7.2013  199.275   7.2013  163.364   2.9587  163.364   2.9587 0.000000 0.000000 
1 1 1   20    4    1 f  200.855   2.0608  300.970   6.1715  303.397   8.4348  298.173   9.0536  201.600   2.8062  199.834   3.0387 1.766418 4.136173 
1 1 1   20    4    2 o  117.125   2.5975  102.390   4.5361  105.623   5.2390   92.709   9.0660  118.939   2.9543  111.222   5.4670 7.716599 6.214224 
1 1 1   20    4    3 o   65.846   3.4384   32.481   3.3640   30.721   3.8479   38.190   6.9289   63.969   4.0554   70.984   6.6234 -7.014866 7.766346 
1 1 1   20    4    4 o   43.822   5.5152   14.626   3.5237   13.230   3.6318   37.034   14.553   41.554   6.0387   67.816   14.808 -26.26253 15.99153 
1 1 1   20    4    5 o  212.667   2.0872  337.476   6.6181  332.605   8.9449  343.369   9.8375  211.043   2.8427  214.399   3.0775 -3.356140 4.189490 
1 1 1   20    4    6 o   70.443   3.2027   37.081   3.3638   36.320   4.5200   38.025   5.0360   69.509   4.3839   71.073   4.7801 -1.564339 6.486022 
1 1 1   20    4    7 f   94.721   3.0660   67.046   4.3300   68.478   7.1652   66.223   5.4347   95.400   5.0555   94.070   3.8748 1.329285 6.369615 
1 1 1   20    4    8 o  105.256   2.6522   82.756   4.1622   82.122   5.9786   83.352   5.7980  104.739   3.8284  105.536   3.6847 -0.7973633 5.313603 
1 1 1   20    4    9 o  117.879   2.6742  103.820   4.7000   97.527   6.3252  111.578   7.0232  114.133   3.7170  122.058   3.8592 -7.924667 5.358145 
1 1 1   20    4   10 o  132.213   2.5751  130.603   5.0762  123.968   7.2165  137.102   7.1417  128.648   3.7623  135.328   3.5395 -6.679932 5.165533 
1 1 1   20    4   11 o   78.533   3.2281   46.156   3.7798   43.264   5.8589   48.218   4.9470   75.620   5.2285   80.060   4.1587 -4.439308 6.680737 
1 1 1   20    4   12 o   31.560   7.4904   7.9077   3.4718   14.011   5.7067   4.3213   4.3744   41.760   9.3930   25.386   9.1003 16.37380 13.07837 
1 1 1   20    4   13 o  142.979   2.5415  152.979   5.4180  158.128   8.6468  149.651   6.9521  144.961   4.0007  141.232   3.3015 3.729004 5.187021 
1 1 1   20    4   14 o   38.210   6.7341   11.584   3.6963   9.3346   6.1401   12.863   4.6290   33.779   10.795   39.856   8.0666 -6.076679 13.47556 
1 1 1   20    4   15 o   85.755   3.2758   55.520   4.1884   52.754   6.3998   57.592   5.5394   82.648   5.2204   86.958   4.2725 -4.309853 6.745874 
1 1 1   20    4   16 o   62.518   5.4439   30.729   5.0237   32.985   5.8077   24.025   10.012   64.353   6.1269   49.129   13.330 15.22426 14.67044 
1 1 1   20    4   17 o   18.928   7.4239   2.2024   3.0545   2.7274   4.8235   1.8509   3.9466   22.085   9.0906   19.809   8.1952 2.275183 12.23925 
1 1 1   20    5    0 f  236.734   2.8779  418.260   10.154  418.260   10.154  418.260   10.154  236.734   2.8779  236.734   2.8779 0.000000 0.000000 
1 1 1   20    5    1 o   96.482   2.3911   69.474   3.4396   67.626   4.5144   72.032   5.3107   95.149   3.1822   98.170   3.6283 -3.020729 4.826048 
1 1 1   20    5    2 o   28.100   6.8736   6.1778   2.8560   6.1467   3.0971   6.3546   7.3843   28.050   7.3256   31.999   11.772 -3.948105 13.86557 
1 1 1   20    5    3 o  157.374   2.4007  184.857   5.6330  182.326   6.5131  192.370   11.221  156.259   2.7956  160.266   4.6961 -4.006363 5.465226 
1 1 1   20    5    4 o   18.637   7.0710   1.8608   2.7062   0.8741   3.1969   4.3556   5.0834   18.139   7.4259   26.610   9.7710 -8.471569 12.27255 
1 1 1   20    5    5 f   76.244   2.9447   43.426   3.3475   39.390   4.3435   49.330   5.2532   72.437   4.0378   81.046   4.3635 -8.608864 5.945028 
1 1 1   20    5    6 o   62.541   3.5299   29.346   3.2781   30.186   4.3539   28.245   4.9810   63.288   4.6466   61.067   5.5307 2.221378 7.223525 
1 1 1   20    5    7 o  103.682   3.4209   80.406   5.2882   82.985   13.498   79.938   5.7477  104.023   8.7852  103.347   3.7302 0.6756363 9.544287 
1 1 1   20    5    8 o   44.194   5.4305   14.908   3.5030   14.411   5.1623   15.333   4.7690   42.800   8.3896   44.392   7.4707 -1.591549 11.23372 
1 1 1   20    5    9 o  102.568   2.6228   78.609   4.0110   81.581   6.1369   76.393   5.2995  104.337   3.9450  101.019   3.5185 3.317947 5.286070 
1 1 1   20    5   10 o   94.040   2.8581   66.123   4.0074   66.992   6.1890   65.495   5.2585   94.466   4.3942   93.490   3.7725 0.9759140 5.791416 
1 1 1   20    5   11 o   23.322   8.5891   3.3861   3.9322   9.3276   7.0422   0.6944   4.7399   34.980   11.588   21.152   8.8831 13.82795 14.60118 
1 1 1   20    5   12 o   93.685   3.0628   65.750   4.2781   62.314   6.7569   68.049   5.5271   90.701   5.0159   95.166   3.8953 -4.465103 6.350857 
1 1 1   20    5   13 o   69.969   4.3176   37.102   4.4822   41.437   6.3769   32.870   6.3014   73.465   5.8709   65.131   6.5792 8.334198 8.817735 
1 1 1   20    5   14 o  131.685   2.6082  130.136   5.1209  123.318   7.6612  135.642   6.8850  127.606   4.0267  134.113   3.4432 -6.506836 5.298137 
1 1 1   20    5   15 o   60.327   4.0469   27.861   3.6190   24.890   5.5881   30.007   4.7495   55.653   6.8810   62.113   5.1757 -6.459858 8.610242 
1 1 1   20    5   16 o   24.942   8.7101   5.0787   3.9857   6.2035   5.2321   3.5234   6.1524   27.319   9.9308   24.795   10.243 2.524027 14.26667 
1 1 1   20    5   17 f   40.437   5.9252   13.439   3.4664   17.794   5.3935   10.375   4.5245   44.717   8.3980   33.551   8.8990 11.16599 12.23596 
1 1 1   20    6    0 o   13.407   8.2055   1.1271   3.1321   1.1271   3.1321   1.1271   3.1321   13.407   8.2055   13.407   8.2055 0.000000 0.000000 
1 1 1   20    6    1 o  309.090   2.1517  712.956   9.9159  707.575   13.749  718.789   14.314  307.771   2.9963  310.180   3.0951 -2.408203 4.307858 
1 1 1   20    6    2 o  116.305   2.2803  100.963   3.9543   99.841   5.0599  102.722   6.3378  115.612   2.9354  117.207   3.6267 -1.594872 4.665820 
1 1 1   20    6    3 o   87.399   2.9702   57.066   3.8705   58.088   4.4295   53.766   7.9596   88.152   3.3702   84.280   6.3816 3.871864 7.216830 
1 1 1   20    6    4 o   15.734   6.6232   0.2257   2.6451   1.8335   3.2078  -3.1896   4.6752   19.633   7.6336   17.420   7.9793 2.212650 11.04267 
1 1 1   20    6    5 o  106.489   2.9055   84.730   4.6132   85.763   5.3047   81.523   9.3442  107.099   3.3220  103.887   6.0590 3.211464 6.909937 
1 1 1   20    6    6 o   28.742   6.8009   6.4885   2.8690   2.3276   4.5607   9.2132   3.6907   22.925   9.0460   34.237   7.4425 -11.31184 11.71413 
1 1 1   20    6    7 o  141.314   2.5823  149.185   5.4407  134.830   11.693  153.152   6.1467  133.760   5.8632  143.144   2.8800 -9.384064 6.532332 
1 1 1   20    6    8 o   50.234   4.2753   19.063   3.1716   12.310   4.6957   24.729   4.3009   39.481   8.2433   57.121   5.1039 -17.63992 9.695444 
1 1 1   20    6    9 o   31.790   7.1455   7.9683   3.3044   10.527   4.6118   5.2694   4.7369   36.381   8.6322   27.388   9.4993 8.993177 12.83556 
1 1 1   20    6   10 o   95.636   3.2152   68.468   4.5845   74.416   6.2130   61.358   6.7927   99.560   4.1855   90.117   5.0762 9.443092 6.579195 
1 1 1   20    6   11 o  240.937   2.1724  433.738   7.8039  430.884   12.066  435.791   10.232  239.760   3.3753  241.312   2.8439 -1.551575 4.413677 
1 1 1   20    6   12 o   40.476   6.1842   12.764   3.6136   5.9332   5.6267   17.559   4.7144   28.926   10.326   47.404   6.8704 -18.47864 12.40286 
1 1 1   20    6   13 o   20.488   7.9437   2.2721   3.4662   8.5964   5.6547  -1.5343   4.3870   32.518   10.356   17.831   7.9900 14.68625 13.07978 
1 1 1   20    6   14 o   76.616   3.4956   44.390   3.9931   44.700   6.1214   44.161   5.2683   75.946   5.4420   75.860   4.6807 0.8634949E-01 7.178066 
1 1 1   20    6   15 o   42.722   5.3937   14.431   3.3591   14.323   5.3280   14.502   4.3275   40.630   9.0296   41.956   7.1758 -1.326256 11.53369 
1 1 1   20    7    0 o   37.257   14.227   14.243   7.4499   14.243   7.4499   14.243   7.4499   37.257   14.227   37.257   14.227 0.000000 0.000000 
1 1 1   20    7    1 o  186.661   2.3409  260.110   6.5148  262.685   7.5882  252.889   12.706  187.537   2.7138  183.673   4.6396 3.863556 5.374991 
1 1 1   20    7    2 o   30.728   9.9433   7.0409   5.1975   3.3369   6.5589   13.293   8.5211   27.385   10.835   41.228   12.652 -13.84343 16.65737 
1 1 1   20    7    3 o  107.793   2.6814   86.790   4.3094   86.757   4.8806   86.909   9.1805  107.742   3.0382  107.338   5.7574 0.4044952 6.509896 
1 1 1   20    7    4 o  151.551   2.4970  171.528   5.6422  174.565   6.4895  162.120   11.420  152.846   2.8476  146.896   5.2144 5.950012 5.941278 
1 1 1   20    7    5 o   44.034   5.8275   14.851   3.7319   14.402   4.2443   16.380   7.8353   43.142   6.8254   45.114   11.588 -1.971272 13.44845 
1 1 1   20    7    6 o   84.547   3.0361   53.450   3.8273   56.674   5.0569   49.127   5.8558   86.975   3.8996   80.719   4.8887 6.256020 6.253469 
1 1 1   20    7    7 o  107.670   2.6277   86.631   4.2183   81.072   5.6860   93.435   6.2910  104.040   3.6655  111.675   3.7783 -7.634781 5.264170 
1 1 1   20    7    8 o  150.810   2.3656  169.902   5.3191  156.452   7.1310  186.772   7.9861  144.574   3.3082  157.947   3.3912 -13.37286 4.737546 
1 1 1   20    7    9 o  116.646   2.7222  101.734   4.7343   94.414   6.4058  110.546   7.0281  112.209   3.8290  121.407   3.8826 -9.198143 5.453036 
1 1 1   20    7   10 o  161.132   2.6987  194.202   6.4834  199.016   8.4354  187.253   10.135  162.938   3.4723  157.815   4.3072 5.123047 5.532466 
1 1 1   20    7   11 o   22.747   7.9350   3.6217   3.3075   0.6059   5.1354   5.7596   4.3237   21.691   9.1849   27.588   9.0772 -5.896963 12.91350 
1 1 1   20    7   12 o   37.541   7.0448   11.208   3.7983   20.169   7.0325   7.5172   4.5132   49.539   9.8679   30.554   9.1727 18.98517 13.47272 
1 1 1   20    7   13 o   33.452   7.2931   9.0950   3.5349   4.0987   5.7010   12.216   4.5056   26.034   10.161   38.593   8.0888 -12.55933 12.98782 
1 1 1   20    7   14 o   48.781   5.6866   18.760   4.0582   13.129   6.1403   23.126   5.4077   38.398   10.447   53.559   6.9347 -15.16098 12.53938 
1 1 1   20    7   15 o   88.610   3.1246   59.598   4.1281   64.787   6.6511   56.346   5.2649   91.081   4.9160   85.593   4.1256 5.487968 6.417717 
1 1 1   20    7   16 o   29.865   8.0195   7.9647   3.6463   3.9277   5.1604   11.990   5.1529   23.582   9.5154   35.668   9.5142 -12.08652 13.45591 
1 1 1   20    8    0 o  137.024   2.7265  140.258   5.5652  140.258   5.5652  140.258   5.5652  137.024   2.7265  137.024   2.7265 0.000000 0.000000 
1 1 1   20    8    1 o  208.592   1.9615  324.734   6.1005  324.752   8.3884  324.713   8.8880  208.492   2.6985  208.452   2.8597 0.4006958E-01 3.931894 
1 1 1   20    8    2 o  181.909   2.0157  246.991   5.4669  240.889   7.1978  255.310   8.4046  179.563   2.6885  184.802   3.0503 -5.238846 4.065997 
1 1 1   20    8    3 o   36.934   6.5069   10.597   3.4523   9.6730   6.9592   10.898   3.9761   35.636   11.503   37.287   7.4130 -1.650520 13.68470 
1 1 1   20    8    4 o   46.971   5.2284   16.793   3.5994   16.994   3.9681   15.862   8.5512   47.150   5.7645   44.348   12.432 2.802124 13.70344 
1 1 1   20    8    5 o   73.529   2.8029   40.414   3.0729   39.011   4.3397   41.825   4.3517   72.023   4.0578   74.604   3.9261 -2.580971 5.646238 
1 1 1   20    8    6 o   94.992   2.5564   67.428   3.6207   67.858   5.5075   67.101   4.8050   95.148   3.8823   94.674   3.4040 0.4731216 5.163246 
1 1 1   20    8    7 o  165.406   2.1808  204.331   5.3782  191.956   8.3859  212.977   7.0096  160.087   3.5134  168.772   2.7856 -8.685364 4.483678 
1 1 1   20    8    8 o   27.565   8.1778   5.9112   3.6031  -6.6656   8.3260   8.8093   3.9968   22.326   10.376   33.286   8.1246 -10.95946 13.17802 
1 1 1   20    8    9 o  143.641   2.2993  154.186   4.9242  153.865   7.5880  154.419   6.4722  143.253   3.5527  143.624   3.0224 -0.3711853 4.664384 
1 1 1   20    8   10 o   71.474   4.1793   38.571   4.4343   36.489   5.5061   42.413   7.4804   69.223   5.3770   74.202   6.8384 -4.979332 8.699181 
1 1 1   20    8   11 o   49.330   4.9042   18.611   3.5592   21.511   5.2670   16.174   4.8284   52.465   6.9006   45.212   7.4203 7.253498 10.13308 
1 1 1   20    8   12 o   15.210   7.0233  -2.6537   3.7249   2.7905   7.0281  -4.7804   4.3926   26.438   10.937   15.257   7.2288 11.18135 13.10989 
1 1 1   20    8   13 o  102.593   3.0957   79.408   4.7353   78.785   6.8303   79.984   6.5707  101.515   4.5127  102.399   4.3037 -0.8846512 6.235929 
1 1 1   20    8   14 o   61.395   4.4667   29.177   4.0607   26.307   5.7965   31.943   5.6904   56.799   6.9924   63.269   6.1082 -6.469776 9.284579 
1 1 1   20    8   15 o   43.454   5.4336   15.162   3.4435   11.318   5.0738   18.445   4.6886   35.013   9.4844   47.032   6.8905 -12.01879 11.72315 
1 1 1   20    8   16 o   38.136   6.5231   12.370   3.5757   5.1939   6.1079   16.111   4.4105   25.185   10.282   43.159   7.1010 -17.97454 12.49578 
1 1 1   20    9    0 o  134.824   2.7905  135.826   5.6041  135.826   5.6041  135.826   5.6041  134.824   2.7905  134.824   2.7905 0.000000 0.000000 
1 1 1   20    9    1 o   65.730   1.9778   32.251   1.9383   36.058   2.9211   29.256   2.5908   69.454   2.8209   62.564   2.7774 6.889854 3.958696 
1 1 1   20    9    2 o  172.677   2.9263  222.941   7.5338  222.941   7.5338   0.0000   0.0000  172.677   2.9263  ?   ?  0.000000 2.926254 
1 1 1   20    9    3 o   57.243   3.0660   24.579   2.6073   26.990   3.2503   20.228   4.3666   59.918   3.6558   51.473   5.7902 8.444767 6.847713 
1 1 1   20    9    4 o   51.265   5.3234   20.002   4.0096   21.926   7.3972   19.201   4.7713   52.545   9.8027   49.950   6.5658 2.595295 11.79839 
1 1 1   20    9    5 o  178.819   2.0627  238.766   5.4994  249.144   8.7680  232.036   7.0609  182.450   3.2232  176.181   2.6880 6.269501 4.196950 
1 1 1   20    9    6 o   64.883   3.5842   31.639   3.4538   35.480   4.5549   26.443   5.2978   68.571   4.4798   58.814   6.1316 9.756969 7.593771 
1 1 1   20    9    7 o   76.153   3.4219   43.446   3.8853   55.494   5.1144   27.005   5.9745   85.991   3.9891   59.222   6.8954 26.76920 7.966158 
1 1 1   20    9    8 o  102.757   2.5620   78.956   3.9252   70.779   5.8625   85.601   5.2845   97.070   4.0507  106.884   3.3161 -9.814133 5.234899 
1 1 1   20    9    9 o   84.667   3.0468   53.707   3.8461   46.576   5.6096   60.033   5.2836   78.411   4.8216   89.361   3.9656 -10.94949 6.242912 
1 1 1   20    9   10 o   20.074   7.6878   2.2292   3.2178   1.6884   5.2206   2.5605   4.0863   22.932   9.4505   22.111   8.6105 0.8206711 12.78484 
1 1 1   20    9   11 o   53.065   4.2404   21.439   3.3269   22.185   5.1499   20.905   4.3584   53.210   6.6355   51.955   5.7212 1.254765 8.761391 
1 1 1   20    9   12 o   18.372   7.4172   1.4261   3.1374   2.7835   5.1221   0.6111   3.9691   23.555   9.4887   18.984   8.0588 4.571489 12.44904 
1 1 1   20    9   13 o   38.418   5.7926   11.782   3.2149   10.677   5.1063   12.508   4.1380   34.847   9.5463   38.844   7.4154 -3.997490 12.08804 
1 1 1   20    9   14 o   76.791   4.1272   45.564   4.7080   46.911   7.4889   44.684   6.0540   75.807   6.6946   75.079   5.4453 0.7285080 8.629508 
1 1 1   20    9   15 o   24.955   8.2429   5.4971   3.5641   0.1633   7.0216   7.3483   4.1367   22.020   9.9661   28.247   8.8398 -6.226929 13.32160 
1 1 1   20   10    0 o   92.465   7.1870   65.364   9.7705   65.364   9.7705   65.364   9.7705   92.465   7.1870   92.465   7.1870 0.000000 0.000000 
1 1 1   20   10    1 f  100.963   2.3981   76.158   3.6099   86.820   10.050   74.578   3.8680  106.923   6.3321   99.891   2.5971 7.031517 6.844049 
1 1 1   20   10    2 o   89.459   2.3953   59.794   3.1949   51.085   8.8434   61.101   3.4263   81.621   7.3455   90.419   2.5415 -8.798126 7.772773 
1 1 1   20   10    3 o  135.729   2.9766  137.820   6.0236  138.731   12.840  137.563   6.8208  135.333   6.3633  135.535   3.3753 -0.2016144 7.203116 
1 1 1   20   10    4 o  147.010   2.7576  161.614   6.0442  165.613   13.323  160.578   6.7824  147.950   6.0397  146.477   3.1056 1.473145 6.791358 
1 1 1   20   10    5 o   60.301   3.1866   27.299   2.8548   27.866   3.8699   26.623   4.2286   60.753   4.3000   59.278   4.8264 1.475174 6.464111 
1 1 1   20   10    6 o   40.360   4.6075   12.413   2.7229   13.643   3.9137   11.258   3.7909   41.930   6.4683   37.892   6.9669 4.038406 9.506610 
1 1 1   20   10    7 o   48.384   4.1487   17.723   2.9639   17.121   4.3851   18.230   4.0216   47.049   6.4186   48.768   5.6346 -1.719173 8.540904 
1 1 1   20   10    8 o  124.485   2.3117  115.863   4.2906  106.039   6.3438  124.146   5.8251  118.848   3.5800  128.721   3.0352 -9.873642 4.693479 
1 1 1   20   10    9 o   39.114   5.4721   11.840   3.1039   6.6029   4.8443   15.487   4.0427   29.253   9.6073   44.613   6.2492 -15.35952 11.46094 
1 1 1   20   10   10 o   38.870   6.5316   11.937   3.6511   7.4169   7.1320   13.542   4.2502   31.745   11.586   41.240   7.1727 -9.495670 13.62662 
1 1 1   20   10   11 o   52.011   4.7466   20.808   3.6403   22.826   6.9776   20.053   4.2670   52.409   9.2687   50.692   5.7473 1.717079 10.90596 
1 1 1   20   10   12 o   24.600   8.2065   4.8363   3.5296   5.6388   7.8383   4.6322   3.9530   29.111   11.734   24.535   8.6662 4.575773 14.58720 
1 1 1   20   10   13 o   50.720   4.9482   20.211   3.6943   22.269   6.9133   19.389   4.3707   50.028   9.6177   49.028   6.1117 0.9992180 11.39533 
1 1 1   20   10   14 o   29.546   7.8291   7.7109   3.5042   8.1722   6.5868   7.5289   4.1385   29.485   11.066   28.783   8.8147 0.7014847 14.14760 
1 1 1   20   10   15 o   51.124   5.1319   21.198   3.8590   25.706   7.3070   19.454   4.5444   51.268   9.9177   47.797   6.5491 3.471401 11.88498 
1 1 1   20   11    0 f   64.016   13.124   34.809   11.071   34.809   11.071   34.809   11.071   64.016   13.124   64.016   13.124 0.000000 0.000000 
1 1 1   20   11    1 o   84.271   7.3300   54.535   9.1181   68.480   12.220   37.023   13.695   93.917   8.8309   66.594   14.225 27.32290 16.74317 
1 1 1   20   11    2 o   73.397   2.2298   40.247   2.4401   50.896   10.868   39.682   2.5040   80.702   9.1966   72.875   2.3046 7.826729 9.480953 
1 1 1   20   11    3 o   46.943   4.6260   16.738   3.1956   21.390   7.7684   15.791   3.5060   51.504   10.473   45.453   5.2713 6.051411 11.72477 
1 1 1   20   11    4 o  150.748   2.8243  170.024   6.3479  165.638   10.672  172.426   7.8969  148.279   4.8270  151.665   3.4922 -3.385529 5.957859 
1 1 1   20   11    5 o  101.267   3.3475   76.859   5.0543   83.360   9.0042   73.868   6.1072  104.759   5.7872   99.140   4.1317 5.619705 7.110727 
1 1 1   20   11    6 o   44.257   5.1067   14.986   3.3079   21.687   7.3977   13.311   3.6982   51.878   9.9257   41.425   6.1764 10.45330 11.69049 
1 1 1   20   11    7 o   29.138   7.4775   6.7769   3.2647  -4.3447   7.0539   9.8087   3.6829   21.259   9.7609   35.136   7.2701 -13.87706 12.17078 
1 1 1   20   11    8 o   55.459   5.1080   23.519   4.1762   0.0000   0.0000   23.519   4.1762  ?   ?    55.459   5.1080 0.000000 5.107963 
1 1 1   20   11    9 o   85.862   3.7064   55.580   4.7449   54.597   8.1209   56.090   5.8468   83.888   6.5446   85.887   4.5824 -1.998978 7.989402 
1 1 1   20   11   10 o  104.802   2.9148   82.604   4.5545   83.834   8.7157   82.142   5.3419  104.201   5.6309  104.331   3.4341 -0.1294098 6.595430 
1 1 1   20   11   11 o   48.892   5.1788   18.654   3.7177   16.832   6.9490   19.385   4.4004   43.430   10.782   49.438   6.0992 -6.007835 12.38719 
1 1 1   20   11   12 o   54.970   4.6160   23.521   3.7482   21.641   7.0414   24.265   4.4276   49.190   9.9428   55.399   5.4303 -6.208145 11.32905 
1 1 1   20   11   13 o   45.432   5.4128   16.574   3.5944   17.891   6.8388   16.071   4.2250   43.088   10.695   43.962   6.6538 -0.8744965 12.59607 
1 1 1   20   11   14 o   19.647   7.9487   2.4022   3.6114  -3.6734   6.4392   5.1901   4.3619   18.618   8.8006   24.367   9.0326 -5.748810 12.61103 
1 1 1   20   12    0 o   60.773   11.963   31.093   9.6433   31.093   9.6433   31.093   9.6433   60.773   11.963   60.773   11.963 0.000000 0.000000 
1 1 1   20   12    1 o   19.374   8.9258  -4.1784   5.9678  -6.3824   7.4473  -0.2236   9.9759   20.851   9.7306   28.770   12.499 -7.919516 15.84054 
1 1 1   20   12    2 o   37.599   10.779   11.433   6.3548   13.381   7.9610   8.0108   10.550   40.548   12.185   36.014   13.888 4.534393 18.47546 
1 1 1   20   12    3 o  141.984   2.1038  150.619   4.4536  142.696   10.767  152.254   4.8917  137.406   5.2553  142.722   2.2988 -5.315948 5.736115 
1 1 1   20   12    4 f   59.603   4.3055   26.876   3.8004   19.877   8.0624   28.875   4.3091   49.148   11.246   61.702   4.7198 -12.55354 12.19609 
1 1 1   20   12    5 o   56.008   5.0297   23.901   4.1553   24.346   8.1659   23.745   4.8270   54.741   10.385   55.597   5.9140 -0.8560181 11.95099 
1 1 1   20   12    6 o   36.321   6.1076   10.318   3.1902   8.1565   7.4429   10.805   3.5309   33.276   11.877   37.046   6.6363 -3.770451 13.60494 
1 1 1   20   12    7 o  109.363   4.5285   90.478   7.3841   0.0000   0.0000   90.478   7.3841  ?   ?   109.363   4.5285 0.000000 4.528508 
1 1 1   20   12    8 o   80.413   3.2266   48.633   3.8685   54.558   8.0382   46.848   4.4132   83.832   6.4813   78.799   3.7563 5.033340 7.491130 
1 1 1   20   12    9 o   39.245   7.1622   12.419   4.0364   6.9295   6.7616   15.458   5.0312   30.417   11.252   43.506   8.0529 -13.08871 13.83664 
1 1 1   20   12   10 o   88.938   3.1864   59.779   4.2253   53.337   7.9740   62.293   4.9823   82.000   6.5775   90.581   3.6891 -8.580406 7.541389 
1 1 1   20   12   11 o   65.779   4.1009   33.313   4.0019   31.604   9.7071   33.663   4.3926   58.171   11.599   65.916   4.4964 -7.744995 12.44007 
1 1 1   20   12   12 o   15.547   6.9519  -0.6954   3.3027  -5.7686   6.5247   1.0523   3.8296   18.124   8.6500   18.618   7.9102 -0.4944592 11.72149 
1 1 1   20   12   13 o   36.971   7.1179   11.832   3.7812   14.885   10.079   11.331   4.0791   34.982   13.551   35.604   7.8915 -0.6218948 15.68123 
1 1 1   20   13    0 o   90.151   8.4221   63.023   11.093   63.023   11.093   63.023   11.093   90.151   8.4221   90.151   8.4221 0.000000 0.000000 
1 1 1   20   13    1 o  119.069   4.5713  106.929   8.1153  105.572   10.963  108.573   12.070  117.554   6.2778  118.954   6.8341 -1.399490 9.279844 
1 1 1   20   13    2 o   67.418   7.3770   35.313   7.2942   34.032   9.4372   37.214   11.496   65.081   10.049   67.196   11.910 -2.115532 15.58358 
1 1 1   20   13    3 o   62.501   2.5417   29.234   2.3685   22.114   8.2931   29.866   2.4715   51.749   11.083   63.165   2.6243 -11.41588 11.38896 
1 1 1   20   13    4 o   27.360   7.4767   5.9681   3.1368  -8.4494   7.8036   8.7467   3.4258   20.228   9.5988   33.120   7.1471 -12.89202 11.96739 
1 1 1   20   13    5 o   56.398   4.8323   24.267   4.0241   12.523   7.6627   28.739   4.7286   38.781   12.014   61.296   5.2239 -22.51461 13.10060 
1 1 1   20   13    6 o   73.724   3.4943   40.910   3.8410   25.195   11.555   42.862   4.0725   53.013   14.294   75.436   3.6209 -22.42289 14.74503 
1 1 1   20   13    7 o   42.570   5.2598   14.045   3.2674   7.8057   6.9148   15.839   3.7074   31.860   11.439   45.121   5.6336 -13.26169 12.75134 
1 1 1   20   13    8 o  100.200   2.8978   75.545   4.3292   55.649   7.9662   83.884   5.1572   84.304   6.3851  105.449   3.2802 -21.14498 7.178431 
1 1 1   20   13    9 o   12.443   6.0655  -6.1166   3.6481  -7.3435   6.6480  -5.5880   4.3639   18.107   8.6664   14.486   6.9567 3.620625 11.11314 
1 1 1   20   13   10 o   41.130   5.4841   13.464   3.2792   10.948   6.6868   14.260   3.7627   34.273   11.289   41.997   6.1952 -7.723553 12.87720 
1 1 1   20   13   11 o   33.006   7.9125   9.5193   3.8433   3.3807   6.1005   13.559   4.9488   24.192   10.113   38.991   8.7301 -14.79866 13.36016 
1 1 1   20   13   12 o   67.796   3.8757   35.728   3.9014   25.624   7.2799   39.799   4.6210   52.132   9.7237   71.170   4.3760 -19.03878 10.66303 
1 1 1   20   13   13 o   35.100   7.1870   10.981   3.6347   12.519   7.1305   10.442   4.2247   32.826   11.634   33.089   8.5141 -0.2628822 14.41697 
1 1 1   20   14    0 o   21.655   13.734   1.8740   9.6058   1.8740   9.6058   1.8740   9.6058   21.655   13.734   21.655   13.734 0.000000 0.000000 
1 1 1   20   14    1 o   49.392   9.8701   19.979   7.0144   15.476   9.3311   25.831   10.636   42.660   13.265   54.700   13.194 -12.04024 18.70917 
1 1 1   20   14    2 o   82.916   5.8985   52.769   7.2444   56.460   9.4614   47.538   11.263   85.023   7.5418   76.596   10.109 8.427284 12.61244 
1 1 1   20   14    3 o   30.786   11.051   6.9647   6.4530   11.801   8.2033  -0.8868   10.452   37.809   12.506   28.311   12.530 9.498236 17.70318 
1 1 1   20   14    4 o   59.985   3.8662   27.258   3.4393   24.157   7.8419   27.997   3.8270   54.036   10.105   60.694   4.2560 -6.658276 10.96472 
1 1 1   20   14    5 o   28.868   11.707   4.2882   7.8538   35.863   11.743 -21.2646   10.564   64.080   12.740   19.625   9.7134 44.45507 16.02040 
1 1 1   20   14    6 o   29.182   6.6231   6.8768   2.8157   2.7083   6.6216   7.7970   3.1110   25.646   10.613   31.031   6.9024 -5.384598 12.66015 
1 1 1   20   14    7 o   55.300   4.0373   23.365   3.3058   21.586   6.9654   23.883   3.7558   50.446   9.6118   55.729   4.5600 -5.282932 10.63862 
1 1 1   20   14    8 o   55.164   4.0693   23.358   3.3233   15.577   6.6682   25.929   3.8334   41.567   10.697   57.968   4.4698 -16.40105 11.59323 
1 1 1   20   14    9 o   67.600   3.5911   34.954   3.6065   33.038   7.1620   35.605   4.1744   62.867   7.8090   67.947   4.1403 -5.079636 8.838739 
1 1 1   20   14   10 o   51.407   4.6261   20.772   3.5078   22.581   8.8356   20.434   3.8219   46.670   12.463   50.691   5.1274 -4.020939 13.47642 
1 1 1   20   14   11 o   37.300   6.1874   11.634   3.3204   13.923   6.5494   10.843   3.8522   36.680   11.058   35.054   7.5904 1.626522 13.41269 
1 1 1   20   14   12 o   19.577   7.6917   2.7864   3.2840  -5.6602   6.8784   5.2804   3.7376   17.897   8.6299   23.999   8.4315 -6.101149 12.06505 
1 1 1   20   15    0 o   22.090   13.751   3.1305   9.1592   3.1305   9.1592   3.1305   9.1592   22.090   13.751   22.090   13.751 0.000000 0.000000 
1 1 1   20   15    1 o   68.603   7.0089   36.949   7.0684   34.727   9.8276   39.331   10.174   64.502   10.586   68.967   10.202 -4.465004 14.70196 
1 1 1   20   15    2 o   24.482   10.791  -0.5451   7.6736   3.9300   12.158  -3.5082   9.8931   32.766   14.012   25.673   11.701 7.093224 18.25488 
1 1 1   20   15    3 o   24.767   11.282  -3.2342   9.1798  -2.6745   11.612  -4.1672   14.991   28.109   12.759   30.862   14.192 -2.752203 19.08441 
1 1 1   20   15    4 o   35.077   5.0390   9.5954   2.5596   2.1478   6.8954   10.786   2.7566   25.413   10.696   37.206   5.1037 -11.79286 11.85088 
1 1 1   20   15    5 o   20.950   7.6173   3.0317   3.0786   5.7649   6.9571   2.3661   3.4330   28.954   11.246   20.349   7.9012 8.604853 13.74439 
1 1 1   20   15    6 o   58.951   3.9444   26.574   3.4469   25.640   7.1135   26.861   3.9404   55.195   8.9506   59.044   4.5102 -3.849567 10.02268 
1 1 1   20   15    7 o   52.311   4.1033   21.078   3.1747   10.127   6.7305   24.212   3.6003   33.372   11.332   55.978   4.3479 -22.60522 12.13714 
1 1 1   20   15    8 o   32.955   7.8846   9.3785   3.8222   6.7679   6.3944   10.830   4.7676   28.440   10.850   34.770   9.0932 -6.330021 14.15684 
1 1 1   20   15    9 f   86.029   3.0086   56.333   3.8590   36.826   7.4392   63.515   4.5138   65.587   7.7577   91.143   3.3216 -25.55640 8.438917 
1 1 1   20   15   10 o   38.530   5.7914   12.274   3.2241   12.654   6.7081   12.160   3.6766   34.524   11.304   37.683   6.7938 -3.158421 13.18828 
1 1 1   20   15   11 o   21.906   8.0080   4.1451   3.4091   13.304   9.8115   2.8876   3.6356   31.928   13.033   20.068   8.0257 11.85965 15.30583 
1 1 1   20   16    0 o   27.759   15.106   9.1592   8.8385   9.1592   8.8385   9.1592   8.8385   27.759   15.106   27.759   15.106 0.000000 0.000000 
1 1 1   20   16    1 o   49.671   9.7730   20.988   6.9800   16.132   9.4679   26.771   10.331   41.652   13.414   53.861   13.010 -12.20869 18.68722 
1 1 1   20   16    2 o   64.379   7.0771   33.128   6.6809   35.800   8.7178   29.327   10.400   65.529   9.1743   56.595   12.643 8.934734 15.62129 
1 1 1   20   16    3 o   23.805   10.493   0.0894   7.2584   0.0894   7.2584   0.0000   0.0000   23.805   10.493  ?   ?  0.000000 10.49347 
1 1 1   20   16    4 f   29.237   10.412   7.0151   5.7173   10.600   7.3734   1.6098   9.0538   34.396   11.856   26.888   11.790 7.507738 16.72011 
1 1 1   20   16    5 f   15.659   6.6475   0.4059   2.7009 -16.6457   6.3806   4.1281   2.9811   13.986   7.0183   22.731   7.5400 -8.745525 10.30091 
1 1 1   20   16    6 o   23.069   7.9678   4.2632   3.3309   2.0275   6.4050   5.0920   3.8998   23.600   10.133   24.895   8.6200 -1.294394 13.30344 
1 1 1   20   16    7 o   41.748   4.4918   13.694   2.7520   7.6773   6.4284   15.044   3.0451   29.194   10.937   43.646   4.7563 -14.45190 11.92645 
1 1 1   20   16    8 f   58.991   3.6131   26.882   3.1625   22.982   6.5600   28.062   3.6097   50.184   9.1025   60.005   4.0585 -9.821198 9.966325 
1 1 1   20   16    9 o   26.431   7.6149   6.2978   3.1646   2.2570   8.8973   6.8830   3.3860   24.584   11.163   27.487   7.8644 -2.903164 13.65503 
1 1 1   20   16   10 o   68.059   3.9014   36.441   3.9424   26.302   10.980   37.942   4.2241   42.517   14.473   69.253   4.1093 -26.73564 15.04522 
1 1 1   20   17    0 o   14.391   10.040  -6.4671   7.8381  -6.4671   7.8381  -6.4671   7.8381   14.391   10.040   14.391   10.040 0.000000 0.000000 
1 1 1   20   17    1 o   25.525   10.079   4.3883   5.6656 -11.3397   7.4234   26.331   8.7682   17.487   8.5521   53.416   11.359 -35.92950 14.21851 
1 1 1   20   17    2 o   42.904   9.2176   16.135   5.7206   21.843   7.8041   9.5060   8.4101   48.635   11.018   32.672   12.449 15.96278 16.62394 
1 1 1   20   17    3 o   29.153   10.298   7.3913   5.5825   10.371   7.6788   4.0506   8.1303   33.259   12.040   27.155   11.531 6.103270 16.67100 
1 1 1   20   17    4 o   37.563   9.6034   12.864   5.3992   16.779   7.1510   7.6726   8.2344   41.665   11.249   30.140   12.070 11.52510 16.49869 
1 1 1   20   17    5 o   28.781   6.2286   6.9126   2.5952   0.4274   6.6769   8.0667   2.8167   22.217   9.9129   31.120   6.2871 -8.902929 11.73856 
1 1 1   20   17    6 o   19.651   7.5536   2.6822   3.1136 -10.0203   5.9710   7.4261   3.6490   15.114   7.4470   28.766   8.1412 -13.65221 11.03343 
1 1 1   20   17    7 o   26.462   6.0431   5.9380   2.3319   3.1901   6.6215   6.3271   2.4915   23.699   10.240   27.223   6.2681 -3.523434 12.00595 
1 1 1   20   17    8 f   59.544   3.7915   27.734   3.3485   15.201   9.3967   29.557   3.5838   34.251   13.133   61.364   3.9378 -27.11370 13.71036 
1 1 1   20   17    9 o   36.652   6.1338   11.581   3.2335  -3.6812   9.7788   13.454   3.4263   21.295   10.274   39.682   5.9764 -18.38730 11.88547 
1 1 1   20   17   10 o   24.839   7.6031   5.9807   3.0794   14.452   6.7310   3.7385   3.4630   33.646   11.333   20.563   7.9492 13.08225 13.84254 
1 1 1   20   18    0 o   15.479   10.556  -3.1089   7.5381  -3.1089   7.5381  -3.1089   7.5381   15.479   10.556   15.479   10.556 0.000000 0.000000 
1 1 1   20   18    1 o   38.452   9.6745   13.781   5.5418   15.437   7.7323   12.032   7.9466   38.511   12.091   34.123   12.262 4.388065 17.22075 
1 1 1   20   18    2 o   30.284   10.229   8.6894   5.4836   12.972   7.7644   4.4280   7.7456   35.141   12.163   26.277   11.209 8.864210 16.54036 
1 1 1   20   18    3 o   14.058   6.9091  -8.4023   5.0306  -1.8206   6.8169 -16.2726   7.4544   20.557   9.4952   15.436   7.7229 5.120430 12.23934 
1 1 1   20   18    4 o   27.138   9.7289   6.8240   4.9996   9.0418   6.8405   4.2806   7.3254   30.016   11.275   25.365   10.862 4.650187 15.65595 
1 1 1   20   18    5 o   25.226   6.5274   5.5123   2.4738   9.8272   6.9827   4.8930   2.6454   30.478   11.403   23.638   7.0059 6.840094 13.38286 
1 1 1   20   18    6 o   36.829   5.9354   11.423   3.1484   1.1252   6.2392   14.941   3.6468   21.211   9.5147   42.179   5.9653 -20.96822 11.23003 
1 1 1   20   18    7 o   14.883   6.7984  -0.9642   3.3628   3.1415   9.0173  -1.6275   3.6243   24.169   11.075   14.832   6.8762 9.337763 13.03579 
1 1 1   20   18    8 o   19.494   7.1321   3.2509   2.7049   16.382   9.6203   2.1237   2.8186   32.685   13.061   17.576   7.0533 15.10901 14.84382 
1 1 1   20   19    0 o   24.552   13.803   7.9421   7.6587   7.9421   7.6587   7.9421   7.6587   24.552   13.803   24.552   13.803 0.000000 0.000000 
1 1 1   20   19    1 o   24.445   9.6438   5.1197   5.1823  -2.3000   7.1233   13.462   7.5532   20.137   9.4361   34.288   11.989 -14.15092 15.25732 
1 1 1   20   19    2 o   25.605   9.9088   6.0586   5.3854  -0.9518   7.4454   13.751   7.7990   21.188   9.8347   34.230   12.164 -13.04166 15.64216 
1 1 1   20   19    3 o   18.458   8.4468  -0.7647   5.2227  -4.3382   7.2948   2.9935   7.4808   19.079   9.1170   23.629   10.522 -4.549873 13.92208 
1 1 1   20   19    4 o   27.131   9.8240   7.4983   5.1129   8.0063   6.8941   6.8773   7.6222   27.482   11.030   26.470   11.198 1.011841 15.71835 
1 1 1   20   19    5 o   26.029   10.162   7.0254   5.7032   7.9395   6.8026   4.8630   10.463   26.959   10.908   25.442   11.756 1.517084 16.03720 
1 1 1   20   19    6 o   19.541   7.6248   3.0976   3.2091   0.0000   0.0000   3.0976   3.2091  ?   ?    19.541   7.6248 0.000000 7.624807 
1 1 1   20   19    7 o   14.000   6.4707  -1.1200   3.1730  -6.3281   6.8620   0.2965   3.5786   16.716   8.1850   16.129   7.2226 0.5864067 10.91607 
1 1 1   20   20    0 o   35.167   14.652   15.506   7.6739   15.506   7.6739   15.506   7.6739   35.167   14.652   35.167   14.652 0.000000 0.000000 
1 1 1   20   20    1 o   26.899   10.083   7.8658   5.4658   9.7873   7.6492   5.8610   7.8131   28.277   11.521   24.929   10.941 3.347927 15.88823 
1 1 1   20   20    2 o   14.702   7.1588  -5.7334   5.0395  -4.0129   6.7134  -7.9545   7.6277   17.919   8.6112   17.365   8.5288 0.5537930 12.11995 
1 1 1   20   20    3 o   17.769   8.1946  -0.5098   5.0475  -4.5719   6.9034   4.1561   7.3988   17.756   8.5822   23.138   10.372 -5.382698 13.46187 
1 1 1   20   20    4 o   22.590   10.193   3.9206   7.2799  -5.5060   9.1960   19.745   11.915   19.364   9.4804   31.932   13.766 -12.56754 16.71499 
1 1 1   20   20    5 o   26.553   12.106   11.048   10.598   0.0000   0.0000   11.048   10.598  ?   ?    26.553   12.106 0.000000 12.10554 
1 1 1   20   21    0 o   17.569   11.981  -0.7121   9.7127  -0.7121   9.7127  -0.7121   9.7127   17.569   11.981   17.569   11.981 0.000000 0.000000 
1 1 1   20   21    1 o   20.624   10.013  -0.8314   9.6690  -0.8314   9.6690   0.0000   0.0000   20.624   10.013  ?   ?  0.000000 10.01298 
1 1 1   20   21    2 o   22.024   10.836   0.8619   12.482   0.8619   12.482   0.0000   0.0000   22.024   10.836  ?   ?  0.000000 10.83562 
1 1 1   20   21    3 o   20.675   9.6399   2.7036   7.2830   15.296   10.336  -9.7154   10.264   27.735   12.357   18.047   9.0338 9.687998 15.30722 
1 1 1   21    1    0 o   84.758   4.2051   54.007   5.2842   54.007   5.2842   54.007   5.2842   84.758   4.2051   84.758   4.2051 0.000000 0.000000 
1 1 1   21    1    1 o  179.114   2.1509  239.325   5.7441  253.630   7.9655  223.826   8.2911  184.340   2.8982  173.146   3.2116 11.19331 4.325976 
1 1 1   21    1    2 o  145.002   2.2958  156.866   4.9633  163.095   6.5762  148.621   7.5658  147.813   2.9840  141.059   3.5973 6.753632 4.673847 
1 1 1   21    1    3 o  102.821   2.9455   78.921   4.5155   78.218   6.5149   79.572   6.2643  102.284   4.2720  103.179   4.0721 -0.8954010 5.901833 
1 1 1   21    1    4 o  171.466   2.2623  219.369   5.7835  211.642   7.2560  232.830   9.5770  168.373   2.8904  176.526   3.6387 -8.153732 4.647020 
1 1 1   21    1    5 o  186.395   2.0848  259.214   5.7939  247.650   7.7641  273.746   8.7037  182.125   2.8592  191.461   3.0490 -9.335632 4.179894 
1 1 1   21    1    6 o  219.096   2.3114  358.245   7.5506  356.781   9.3917  360.919   12.697  218.583   2.8818  219.697   3.8761 -1.114517 4.830010 
1 1 1   21    1    7 f   14.329   6.4195  -1.2704   2.8306  -0.9090   3.9117  -1.6677   4.1011   17.677   7.7503   17.376   7.7599 0.3013687 10.96737 
1 1 1   21    1    8 o   86.248   3.2320   55.600   4.1562   56.397   5.1890   54.172   6.9417   86.803   4.0094   84.745   5.5241 2.058388 6.825784 
1 1 1   21    1    9 o   56.204   4.8104   23.873   3.9922   23.867   7.5084   23.875   4.7138   55.168   9.4693   56.051   5.7206 -0.8826637 11.06312 
1 1 1   21    1   10 o   73.156   3.5166   40.050   3.8357   37.575   5.4677   42.447   5.3824   70.507   5.2386   75.034   4.8369 -4.527588 7.130116 
1 1 1   21    1   11 o   64.807   3.9910   31.595   3.8376   26.655   5.3607   36.789   5.4963   59.110   6.1738   69.719   5.3278 -10.60927 8.154838 
1 1 1   21    1   12 o  107.790   2.8254   86.884   4.5407   78.225   6.9938   93.194   5.9700  102.018   4.5980  111.529   3.5902 -9.511803 5.833593 
1 1 1   21    1   13 o   93.386   3.4829   65.403   4.8495   67.915   6.7428   62.712   6.9797   94.796   4.7861   90.980   5.1668 3.816422 7.042897 
1 1 1   21    1   14 o   19.810   7.6960   2.0278   3.2584   1.1897   5.1510   2.5869   4.2072   22.243   9.2952   22.336   8.7262 -0.9367561E-01 12.74940 
1 1 1   21    1   15 o   65.806   4.0688   32.926   3.9726   37.179   7.9844   31.527   4.5796   68.129   8.0135   64.134   4.8246 3.995377 9.353754 
1 1 1   21    1   16 o   21.211   7.7399   3.1643   3.1825  -2.3815   5.2593   6.3682   3.9975   18.570   8.4900   27.660   8.6953 -9.090744 12.15275 
1 1 1   21    1   17 o   84.166   3.0904   53.753   3.8781   52.785   6.1371   54.397   5.0038   82.087   5.0388   84.179   3.9868 -2.092049 6.425241 
1 1 1   21    2    0 o   11.577   8.1095  -5.4783   5.2618  -5.4783   5.2618  -5.4783   5.2618   11.577   8.1095   11.577   8.1095 0.000000 0.000000 
1 1 1   21    2    1 o   62.782   4.4100   29.621   4.1018   29.622   5.4188   29.620   6.2772   62.588   5.8756   62.426   6.8572 0.1621017 9.030169 
1 1 1   21    2    2 o  184.391   2.3179  253.698   6.3725  258.573   7.6876  242.991   11.393  186.118   2.7703  180.266   4.2388 5.852615 5.063820 
1 1 1   21    2    3 o   55.163   4.0202   22.870   3.2837   24.009   3.8718   19.952   6.1978   56.453   4.6411   50.748   8.4911 5.704498 9.676730 
1 1 1   21    2    4 o   73.929   3.1658   40.822   3.4895   39.501   4.3776   43.123   5.7791   72.566   4.0624   75.693   5.1514 -3.127045 6.560470 
1 1 1   21    2    5 o   93.377   3.1216   65.131   4.3460   68.361   6.7771   62.875   5.6639   95.539   4.7577   91.676   4.1437 3.862732 6.309194 
1 1 1   21    2    6 o  291.944   2.4251  636.225   10.556  624.582   16.544  644.220   13.709  288.974   3.8398  293.644   3.1312 -4.669464 4.954679 
1 1 1   21    2    7 o  108.264   2.5333   87.518   4.0892   80.317   5.4736   96.614   6.1516  103.636   3.5424  113.657   3.6301 -10.02042 5.072101 
1 1 1   21    2    8 o   13.980   6.4495  -2.4586   3.1312  -3.9605   4.4733  -1.0158   4.3845   16.324   7.5924   18.670   8.1948 -2.345522 11.17134 
1 1 1   21    2    9 o   74.284   3.3321   41.275   3.6905   42.578   5.1979   39.951   5.2406   75.185   4.6598   72.787   4.8569 2.398178 6.730762 
1 1 1   21    2   10 o   48.025   5.0157   17.520   3.5385   19.360   5.0663   15.768   4.9442   50.104   6.9708   44.969   7.6480 5.134926 10.34809 
1 1 1   21    2   11 o   27.296   8.6815   5.6262   3.9751   3.1321   6.6001   7.0458   4.9795   27.062   10.817   30.448   9.7200 -3.385508 14.54251 
1 1 1   21    2   12 o   49.775   5.2429   18.888   3.8324   13.150   5.5334   24.178   5.3131   40.478   9.3560   56.094   6.4715 -15.61532 11.37608 
1 1 1   21    2   13 o   96.520   3.5099   69.930   5.0510   64.549   7.0315   75.668   7.2605   92.236   5.1333  100.087   4.8654 -7.850250 7.072706 
1 1 1   21    2   14 o   97.892   3.2833   72.038   4.7921   84.276   8.4803   66.296   5.8084  104.995   5.4358   93.676   4.1587 11.31892 6.844194 
1 1 1   21    2   15 f   37.593   7.4507   11.522   4.0285   4.5386   6.9101   15.117   4.9583   27.698   11.069   42.927   8.0425 -15.22947 13.68227 
1 1 1   21    2   16 o   28.717   8.1023   6.9909   3.6200   5.2099   5.2528   8.6019   4.9957   26.320   9.8813   31.373   9.6975 -5.053133 13.84496 
1 1 1   21    2   17 o   30.921   8.8174   8.5634   4.2636   10.911   9.5449   7.9783   4.7655   33.267   13.099   29.685   9.5123 3.581861 16.18885 
1 1 1   21    3    0 o   27.577   10.304   7.6677   3.9486   7.6677   3.9486   7.6677   3.9486   27.577   10.304   27.577   10.304 0.000000 0.000000 
1 1 1   21    3    1 o  111.209   2.4336   92.300   4.0352   92.444   5.3572   92.110   6.1348  111.249   3.2297  111.013   3.7064 0.2353973 4.916158 
1 1 1   21    3    2 o   41.800   5.2878   13.301   3.2218   10.315   3.5899   25.658   7.3040   36.453   6.8569   57.614   8.7804 -21.16174 11.14052 
1 1 1   21    3    3 o   69.288   3.3129   35.869   3.4225   34.827   4.1095   38.225   6.1826   68.117   4.0649   71.122   5.8832 -3.005188 7.150901 
1 1 1   21    3    4 o  172.961   2.1264  223.231   5.4835  217.959   7.2472  230.291   8.3866  170.842   2.8451  175.568   3.2038 -4.726166 4.284792 
1 1 1   21    3    5 f   90.718   2.7636   61.458   3.7380   61.603   4.8227   61.240   5.9158   90.772   3.5634   90.437   4.3873 0.3351440 5.652080 
1 1 1   21    3    6 o   94.418   2.8210   66.589   3.9712   60.805   5.3159   73.893   5.9736   90.138   3.9555   99.359   4.0324 -9.220474 5.648541 
1 1 1   21    3    7 o  197.348   2.1612  290.710   6.3590  293.664   8.8284  287.525   9.1672  198.234   2.9870  196.127   3.1349 2.107010 4.330126 
1 1 1   21    3    8 o   66.519   4.2144   33.293   4.1582   36.875   7.0683   31.397   5.1421   69.506   6.9122   64.394   5.4058 5.112061 8.775052 
1 1 1   21    3    9 o   49.221   4.7346   18.357   3.4317   20.931   4.8248   15.723   4.8820   52.283   6.3175   44.928   7.5563 7.354584 9.849277 
1 1 1   21    3   10 f   89.565   2.8839   59.977   3.8511   53.754   5.7387   65.076   5.1944   84.484   4.5728   93.202   3.7380 -8.717896 5.906216 
1 1 1   21    3   11 o   44.807   6.2128   15.471   4.0388   18.139   6.9696   14.122   4.9557   47.533   10.143   42.302   8.1530 5.231190 13.01376 
1 1 1   21    3   12 o   81.029   3.6690   49.269   4.4326   45.376   6.4194   52.816   6.1281   77.231   5.6132   83.532   4.9424 -6.301735 7.478990 
1 1 1   21    3   13 o  147.673   2.6489  163.310   5.8323  157.385   10.311  166.098   7.0725  144.229   4.7947  148.777   3.1884 -4.548279 5.758055 
1 1 1   21    3   14 o   32.938   7.2161   8.7682   3.4458   11.060   5.5779   7.3539   4.3819   36.279   9.9934   30.031   9.0433 6.247576 13.47773 
1 1 1   21    3   15 o   37.286   6.4670   11.187   3.4649   8.9704   5.3301   12.809   4.5597   32.319   10.021   39.241   8.0631 -6.922039 12.86230 
1 1 1   21    3   16 o   58.429   4.7542   26.607   4.1058   26.221   5.7566   27.007   5.8576   56.642   6.9630   57.484   6.9775 -0.8414536 9.857428 
1 1 1   21    3   17 o   57.694   4.9004   26.357   4.1754   34.026   7.2348   22.526   5.1129   62.873   7.8916   51.980   6.7570 10.89315 10.38910 
1 1 1   21    4    0 o   24.657   10.063   6.3655   3.6396   6.3655   3.6396   6.3655   3.6396   24.657   10.063   24.657   10.063 0.000000 0.000000 
1 1 1   21    4    1 o   94.467   2.5589   66.619   3.6041   68.143   4.7175   64.483   5.5860   95.496   3.3132   92.844   4.0353 2.651917 5.221189 
1 1 1   21    4    2 o   72.892   2.9565   39.685   3.2131   39.788   4.0444   39.508   5.2907   72.852   3.7360   72.443   4.9276 0.4084015 6.183728 
1 1 1   21    4    3 o   25.755   7.5199   5.1014   3.0677   5.5066   3.3520   3.0127   7.6105   26.767   7.8737   28.639   11.556 -1.871643 13.98316 
1 1 1   21    4    4 o   57.183   3.7011   24.558   3.1386   27.393   3.8970   19.323   5.2952   60.326   4.3621   50.090   7.3052 10.23587 8.508429 
1 1 1   21    4    5 f   32.067   6.2426   8.0016   2.8772   6.7995   3.6341   10.021   4.7101   29.483   8.0437   35.619   8.8957 -6.135874 11.99309 
1 1 1   21    4    6 o   56.832   3.8902   24.291   3.2765   22.000   4.2586   27.614   5.1293   53.848   5.3761   60.316   5.7743 -6.468197 7.889530 
1 1 1   21    4    7 o  115.870   2.6711  100.303   4.6147   99.560   6.6400  100.998   6.4179  115.305   3.8623  116.155   3.7058 -0.8500595 5.352631 
1 1 1   21    4    8 o  106.064   2.7126   84.066   4.2896   74.648   5.8106   95.346   6.3594   99.818   3.9043  112.829   3.7803 -13.01043 5.434492 
1 1 1   21    4    9 o   63.546   4.0447   30.397   3.8122   21.615   4.9942   42.659   5.9012   53.089   6.4414   75.093   5.3049 -22.00452 8.344624 
1 1 1   21    4   10 o   81.233   3.4050   49.411   4.1240   50.573   5.7388   48.170   5.9303   81.884   4.7206   79.849   5.0065 2.034523 6.881094 
1 1 1   21    4   11 o  197.374   2.3872  291.157   7.0252  280.332   12.522  296.130   8.4867  193.102   4.3491  198.943   2.8612 -5.840591 5.205851 
1 1 1   21    4   12 f  128.267   2.7995  123.195   5.3539  127.298   7.9016  119.713   7.2797  130.065   4.0746  126.188   3.8692 3.876793 5.618993 
1 1 1   21    4   13 o   81.510   3.7003   50.044   4.4969   51.214   6.2807   48.813   6.4416   81.905   5.1696   79.853   5.4429 2.052200 7.506671 
1 1 1   21    4   14 o   41.559   5.8340   13.576   3.5154   19.749   5.3617   8.9217   4.6557   49.539   7.4934   32.613   9.1840 16.92600 11.85313 
1 1 1   21    4   15 o   83.572   3.2400   52.885   4.0372   44.038   6.0965   59.794   5.3879   75.014   5.4890   88.462   4.0850 -13.44807 6.842268 
1 1 1   21    4   16 o   38.307   6.8184   12.203   3.7516   13.985   5.3482   10.477   5.2639   39.477   9.2484   33.749   9.8495 5.727791 13.51092 
1 1 1   21    4   17 o   31.108   7.0881   8.4171   3.2142   16.119   5.1477   3.4956   4.1150   42.237   8.4690   21.891   8.6071 20.34606 12.07504 
1 1 1   21    5    0 o  172.834   2.9036  223.061   7.4775  223.061   7.4775  223.061   7.4775  172.834   2.9036  172.834   2.9036 0.000000 0.000000 
1 1 1   21    5    1 o  167.733   2.0614  209.950   5.1552  204.182   6.9242  217.124   7.7219  165.341   2.8088  170.473   3.0381 -5.132004 4.137537 
1 1 1   21    5    2 o  209.840   2.0730  328.603   6.4856  324.096   8.6454  334.405   9.8083  208.308   2.7836  211.545   3.1097 -3.237411 4.173594 
1 1 1   21    5    3 o   61.642   3.7181   28.528   3.4012   27.230   3.8470   33.177   7.2790   60.142   4.3190   65.823   7.5536 -5.681740 8.701203 
1 1 1   21    5    4 o   31.300   7.2730   7.6983   3.3295   8.0524   3.6559   5.9769   8.0614   31.982   7.7484   32.180   12.205 -0.1982880 14.45708 
1 1 1   21    5    5 o   49.580   4.2877   18.557   3.1384   16.854   3.9355   21.532   5.2014   46.989   5.7364   52.992   6.7354 -6.003090 8.847136 
1 1 1   21    5    6 o   50.035   5.3078   19.031   3.8993   13.717   6.2481   22.421   4.9903   41.440   10.185   54.160   6.2974 -12.72063 11.97449 
1 1 1   21    5    7 o   30.935   8.0688   7.5547   3.7604   2.3672   6.1093   10.719   4.7714   25.533   10.336   36.734   8.8225 -11.20123 13.58899 
1 1 1   21    5    8 o   69.255   3.5796   36.012   3.6836   33.941   5.0282   38.412   5.4117   66.983   5.0723   71.271   5.1270 -4.287514 7.212132 
1 1 1   21    5    9 o  128.771   2.7173  123.962   5.2170  117.923   7.0275  131.376   7.7867  125.436   3.7576  132.362   3.9457 -6.926010 5.448636 
1 1 1   21    5   10 o   86.476   3.6071   56.058   4.6507   54.568   5.9715   58.353   7.4143   85.023   4.7293   87.689   5.7019 -2.666161 7.408004 
1 1 1   21    5   11 o   91.403   3.0124   62.573   4.1053   56.619   6.1657   67.315   5.5024   86.508   4.7991   94.654   3.8989 -8.146423 6.183306 
1 1 1   21    5   12 o   81.169   4.0237   49.646   4.8695   51.357   8.1026   48.679   6.0925   81.528   6.7258   79.951   5.1382 1.577347 8.463833 
1 1 1   21    5   13 o  131.032   2.7541  128.879   5.3806  134.635   9.3865  126.062   6.5666  133.039   4.7321  129.358   3.4047 3.681198 5.829646 
1 1 1   21    5   14 o   33.810   7.2417   9.3890   3.5406   9.2872   4.8326   9.5069   5.2020   32.944   9.3849   33.230   9.8182 -0.2855377 13.58209 
1 1 1   21    5   15 o   36.876   6.8186   11.214   3.6109   17.281   5.1400   5.3032   5.0738   45.319   7.8938   26.114   9.7296 19.20520 12.52904 
1 1 1   21    5   16 o   48.501   5.3740   18.858   3.8208   15.203   5.3625   22.626   5.4454   41.000   9.0175   51.784   7.2518 -10.78342 11.57170 
1 1 1   21    6    0 o   73.943   7.3301   42.179   7.8990   42.179   7.8990   42.179   7.8990   73.943   7.3301   73.943   7.3301 0.000000 0.000000 
1 1 1   21    6    1 o  218.355   2.3715  355.985   7.7208  362.669   9.2733  340.883   13.939  220.326   2.8229  213.281   4.3834 7.044846 5.213729 
1 1 1   21    6    2 o  173.824   2.4246  225.616   6.2838  228.394   7.2433  217.164   12.634  174.847   2.7785  170.091   4.9820 4.755356 5.704387 
1 1 1   21    6    3 o   19.288   7.2657   2.0764   2.8446   1.4277   3.1014   5.5141   7.1394   18.729   7.4376   30.564   11.511 -11.83490 13.70488 
1 1 1   21    6    4 o   58.675   4.0488   25.914   3.5204   25.987   3.8847   25.575   8.3258   58.697   4.4725   56.898   10.188 1.798874 11.12693 
1 1 1   21    6    5 o   76.520   3.5141   43.824   4.0092   40.312   4.4423   59.248   9.3094   73.227   4.0850   88.154   7.1443 -14.92693 8.229728 
1 1 1   21    6    6 o  134.513   2.5838  135.194   5.1820  128.533   7.1965  142.367   7.4679  131.003   3.6844  137.882   3.6326 -6.878891 5.174051 
1 1 1   21    6    7 o   74.192   3.3159   41.199   3.6680   38.164   4.8785   45.147   5.5636   71.127   4.6254   77.343   4.8492 -6.216553 6.701375 
1 1 1   21    6    8 o   64.340   3.8990   31.152   3.7226   30.389   5.0584   32.054   5.4982   63.267   5.4146   64.920   5.7394 -1.652393 7.890424 
1 1 1   21    6    9 o   30.205   7.0971   7.2159   3.1419   5.8612   4.5974   8.4031   4.3039   28.142   9.3649   32.496   8.7071 -4.353971 12.78731 
1 1 1   21    6   10 o   40.438   6.0438   12.666   3.5322   17.073   4.8532   7.7023   5.1505   46.767   7.1905   31.432   9.8682 15.33426 12.21004 
1 1 1   21    6   11 o   81.856   3.1616   50.255   3.8585   51.936   5.8862   48.988   5.1095   82.757   4.7910   80.507   4.2720 2.249832 6.418976 
1 1 1   21    6   12 o   78.449   3.3535   46.292   3.9225   42.876   6.0205   48.811   5.1704   74.776   5.4373   80.204   4.3399 -5.427338 6.956951 
1 1 1   21    6   13 o  109.158   2.7992   89.600   4.5557   85.258   7.2231   92.468   5.8707  105.719   4.5825  110.598   3.5601 -4.879364 5.802919 
1 1 1   21    6   14 o  100.415   2.8676   76.106   4.2933   75.174   6.7534   76.739   5.5619   98.858   4.5819  100.413   3.7150 -1.555550 5.898730 
1 1 1   21    6   15 o   92.543   3.1716   65.118   4.3762   59.203   6.2222   70.908   6.1559   87.023   4.8143   95.780   4.3107 -8.756653 6.462155 
1 1 1   21    6   16 f   98.218   3.2240   73.857   4.7213   74.949   6.8380   72.863   6.5266   97.505   4.7036   96.312   4.5450 1.192627 6.540746 
1 1 1   21    7    0 o   22.155   13.061   4.3330   7.3650   4.3330   7.3650   4.3330   7.3650   22.155   13.061   22.155   13.061 0.000000 0.000000 
1 1 1   21    7    1 o   59.426   4.2006   26.600   3.6979   17.146   7.5921   29.541   4.2341   46.191   11.151   62.584   4.5692 -16.39225 12.05045 
1 1 1   21    7    2 o  152.210   2.7110  173.115   6.1523  172.253   10.494  173.566   7.5943  151.491   4.6461  152.316   3.3440 -0.8252563 5.724392 
1 1 1   21    7    3 o   69.809   3.4054   36.468   3.5444   30.656   3.8736   66.372   8.7868   63.823   4.0922   93.538   6.3378 -29.71550 7.544172 
1 1 1   21    7    4 o   71.190   3.5400   37.943   3.7574   35.507   4.0785   51.615   9.6615   68.712   3.9983   81.952   8.0095 -13.23972 8.951977 
1 1 1   21    7    5 o  107.976   2.6965   87.141   4.3411   86.684   5.8137   87.717   6.5264  107.580   3.6245  108.157   4.0471 -0.5771103 5.432932 
1 1 1   21    7    6 o   22.247   7.2647   3.6353   2.7713  -1.5419   3.8655   9.1107   3.9753   16.831   7.5239   33.895   7.9956 -17.06403 10.97900 
1 1 1   21    7    7 o   76.652   2.9507   43.952   3.3722   41.247   4.8705   46.442   4.6737   73.967   4.4369   78.580   4.0024 -4.613350 5.975392 
1 1 1   21    7    8 o  113.603   2.6204   96.491   4.4385   96.942   6.1702   96.008   6.3896  113.715   3.6392  113.140   3.7878 0.5752258 5.252756 
1 1 1   21    7    9 o   32.150   6.9709   8.1761   3.2452   9.4771   4.8267   7.1027   4.3840   34.361   9.2267   30.076   9.0429 4.284225 12.91917 
1 1 1   21    7   10 o   55.129   4.1288   23.005   3.3691   23.177   5.2307   22.884   4.4044   54.725   6.5402   54.672   5.4769 0.5300522E-01 8.530581 
1 1 1   21    7   11 o   30.637   7.6865   7.5756   3.5053   3.8119   6.2005   9.3433   4.2495   26.703   10.544   33.884   8.4423 -7.181396 13.50747 
1 1 1   21    7   12 o   43.837   5.8666   15.041   3.7382   19.429   7.0313   13.312   4.4137   47.961   10.149   40.573   7.5747 7.388184 12.66434 
1 1 1   21    7   13 o   22.935   8.2794   3.8329   3.6275  -5.9389   5.5882   10.950   4.7689   16.908   8.0518   35.786   8.9586 -18.87797 12.04524 
1 1 1   21    7   14 o   86.610   3.3238   57.023   4.2922   49.425   7.2059   61.201   5.3435   78.579   6.2009   89.333   4.0119 -10.75456 7.385573 
1 1 1   21    7   15 o   47.128   4.8602   17.610   3.3661   17.190   5.1481   17.923   4.4489   44.379   8.0779   46.428   6.6140 -2.048557 10.44020 
1 1 1   21    8    0 o  113.349   2.9214   96.084   4.9298   96.084   4.9298   96.084   4.9298  113.349   2.9214  113.349   2.9214 0.000000 0.000000 
1 1 1   21    8    1 o  128.051   2.0529  122.419   3.9195  127.862   5.3194  115.953   5.7973  130.792   2.7278  124.502   3.1230 6.290123 4.146592 
1 1 1   21    8    2 o   99.247   2.4087   73.583   3.5643   74.357   4.4969   72.275   5.8456   99.708   3.0249   98.184   3.9931 1.524269 5.009530 
1 1 1   21    8    3 o   98.819   3.7814   73.181   5.5714   0.0000   0.0000   73.181   5.5714  ?   ?    98.819   3.7814 0.000000 3.781380 
1 1 1   21    8    4 o   43.496   5.4913   14.483   3.4818   14.698   3.7572   13.173   9.2644   43.733   5.9139   40.968   13.277 2.764339 14.53468 
1 1 1   21    8    5 o  123.005   2.2141  113.012   4.0606  110.589   5.8253  115.303   5.6633  121.549   3.2144  124.136   3.0598 -2.587341 4.437881 
1 1 1   21    8    6 o   66.914   3.2778   33.527   3.2702   33.909   4.8209   33.202   4.4508   66.946   4.8630   66.306   4.5292 0.6401978 6.645496 
1 1 1   21    8    7 o   83.654   3.0717   52.385   3.8313   49.911   5.5401   54.653   5.3041   81.324   4.5878   85.298   4.1706 -3.974243 6.200176 
1 1 1   21    8    8 o   83.777   3.3993   52.617   4.2460   47.408   8.1518   54.557   4.9740   78.512   7.0386   85.229   3.9142 -6.717796 8.053761 
1 1 1   21    8    9 o   27.357   7.4262   5.9453   3.1067   5.2675   4.6550   6.4897   4.1717   27.062   9.4151   28.780   8.8560 -1.717655 12.92570 
1 1 1   21    8   10 o   46.841   5.9022   16.998   4.0305   10.756   5.0643   27.783   6.6566   36.224   9.3223   59.395   7.6979 -23.17104 12.08977 
1 1 1   21    8   11 o   42.402   5.4894   13.977   3.3890   17.310   5.0504   11.247   4.5709   46.501   7.5428   36.993   8.4698 9.507725 11.34158 
1 1 1   21    8   12 o   26.643   8.4372   5.7712   3.7577  -3.7402   9.0435   7.7561   4.1312   23.908   11.005   30.413   8.6816 -6.505430 14.01707 
1 1 1   21    8   13 o   52.798   4.3767   21.562   3.4142   23.383   5.3899   20.341   4.4124   53.628   6.9010   50.497   5.9765 3.130692 9.129243 
1 1 1   21    8   14 o   40.828   6.3227   13.695   3.7244   7.7498   5.0767   20.624   5.4808   29.255   9.8419   49.243   7.7187 -19.98771 12.50764 
1 1 1   21    8   15 o   41.592   5.9310   14.313   3.5738   20.332   6.5213   11.730   4.2725   46.147   9.7819   36.053   8.1408 10.09367 12.72632 
1 1 1   21    9    0 o  114.016   2.9626   97.238   5.0285   97.238   5.0285   97.238   5.0285  114.016   2.9626  114.016   2.9626 0.000000 0.000000 
1 1 1   21    9    1 o  156.144   1.7987  181.990   4.1876  194.161   6.5318  173.496   5.4565  161.149   2.7185  152.381   2.4017 8.768463 3.627444 
1 1 1   21    9    2 o   49.155   3.1780   18.160   2.3166   19.365   2.8547   15.836   3.9647   50.680   3.8057   45.386   6.0065 5.294056 7.110670 
1 1 1   21    9    3 o  114.374   2.2922   97.729   3.9088   98.229   4.9125   96.866   6.4531  114.596   2.8752  113.654   3.8081 0.9415436 4.771635 
1 1 1   21    9    4 o   30.212   7.9672   7.2353   3.6402   9.1809   6.7087   6.4235   4.3337   34.588   11.303   28.913   9.0479 5.675196 14.47854 
1 1 1   21    9    5 o   74.079   2.8770   41.057   3.1776   47.183   4.5433   35.191   4.4460   79.302   3.8425   68.283   4.3903 11.01923 5.834323 
1 1 1   21    9    6 o  121.955   2.7170  111.254   4.9404  118.452   6.1759   98.462   8.2330  125.739   3.2943  114.313   4.8305 11.42596 5.846892 
1 1 1   21    9    7 o   52.367   4.0110   20.727   3.1079   22.215   4.7255   19.593   4.1257   53.788   5.9943   50.582   5.5624 3.205910 8.177547 
1 1 1   21    9    8 f   86.311   2.9245   55.811   3.7635   56.275   5.5868   55.426   5.0924   86.304   4.3558   85.833   3.9792 0.4712677 5.899736 
1 1 1   21    9    9 o   16.326   6.9106   0.2637   2.9054   0.5244   4.4298   0.0670   3.8488   20.118   8.5254   18.353   7.8667 1.765347 11.60034 
1 1 1   21    9   10 o   50.392   4.3044   19.368   3.2030   20.468   4.8190   18.497   4.2869   51.118   6.4676   48.713   6.0313 2.404377 8.843435 
1 1 1   21    9   11 o   13.202   6.1447  -2.4223   2.9381   0.4139   4.8712  -4.0440   3.6835   20.500   8.8203   13.928   6.6049 6.572738 11.01916 
1 1 1   21    9   12 o   45.793   5.2375   16.465   3.5117   15.788   5.2172   17.025   4.7484   43.217   8.3994   45.592   7.2264 -2.375271 11.08022 
1 1 1   21    9   13 o   22.688   7.6869   4.1703   3.0971   2.0239   4.7170   5.7967   4.1062   21.315   8.9002   26.117   8.8510 -4.802101 12.55206 
1 1 1   21    9   14 f   18.102   7.6192   1.2418   3.4995   1.5374   4.4763   0.7770   5.6123   20.007   8.5273   20.847   9.2064 -0.8401680 12.54881 
1 1 1   21   10    0 o   22.952   13.772   4.3332   8.4639   4.3332   8.4639   4.3332   8.4639   22.952   13.772   22.952   13.772 0.000000 0.000000 
1 1 1   21   10    1 o   63.560   2.8458   30.223   2.6969   25.698   8.6727   30.708   2.8375   56.509   10.685   64.057   2.9710 -7.548225 11.09051 
1 1 1   21   10    2 o  169.198   2.0464  213.814   5.1625  222.852   12.476  211.947   5.6707  171.997   4.8651  168.423   2.2582 3.573486 5.363682 
1 1 1   21   10    3 o   43.094   5.4240   14.240   3.4079   14.331   7.3992   14.215   3.8393   41.913   11.495   42.882   6.1837 -0.9692688 13.05301 
1 1 1   21   10    4 o   69.384   2.9516   36.035   3.0534   40.578   3.9310   29.126   4.8482   73.557   3.5844   61.882   5.3060 11.67494 6.403196 
1 1 1   21   10    5 o  110.897   2.3128   91.923   3.8241   86.791   5.3597   97.244   5.4576  107.603   3.3408  113.922   3.2131 -6.319023 4.635212 
1 1 1   21   10    6 o   38.274   5.0829   11.257   2.8289   5.8381   4.0267   16.538   3.9750   27.546   8.7352   46.321   5.8887 -18.77423 10.53472 
1 1 1   21   10    7 o   28.532   6.6767   6.4727   2.7900   5.0847   4.1185   7.6499   3.7928   26.214   8.8644   30.864   8.1292 -4.649763 12.02751 
1 1 1   21   10    8 o   45.444   4.4430   15.754   2.9719   16.111   4.5100   15.480   3.9510   45.264   6.9011   44.601   6.1015 0.6622849 9.211537 
1 1 1   21   10    9 o   95.724   2.8503   68.791   4.0680   73.200   6.8806   66.422   5.0440   98.155   4.7016   93.865   3.6042 4.290192 5.924110 
1 1 1   21   10   10 f   93.560   2.7513   65.802   3.8380   56.089   5.5891   74.468   5.2795   85.728   4.3874   99.250   3.5677 -13.52193 5.654907 
1 1 1   21   10   11 o   64.496   4.1528   31.906   3.9722   22.813   9.6511   33.760   4.3585   48.700   13.034   66.220   4.4402 -17.51987 13.76974 
1 1 1   21   10   12 o   62.693   4.1273   30.346   3.8363   18.785   7.0056   35.298   4.5849   45.022   10.610   67.364   4.5923 -22.34136 11.56133 
1 1 1   21   10   13 o   14.441   6.6810  -1.9932   3.3953  -3.4997   6.3199  -1.3819   4.0256   18.932   8.8766   16.388   7.4675 2.543081 11.59987 
1 1 1   21   10   14 o   16.776   7.4321   0.0259   3.6859 -12.2391   9.6100   2.1414   3.9911   19.017   9.3850   19.712   8.2050 -0.6944809 12.46602 
1 1 1   21   11    0 o   24.916   14.511   6.0056   8.9053   6.0056   8.9053   6.0056   8.9053   24.916   14.511   24.916   14.511 0.000000 0.000000 
1 1 1   21   11    1 o   77.545   6.1423   45.927   7.0434   43.372   9.5377   48.991   10.446   74.431   8.7623   79.049   9.0247 -4.618248 12.57871 
1 1 1   21   11    2 o  101.436   2.0345   76.865   3.0769   74.322   9.7960   77.143   3.2409   98.532   6.7080  101.609   2.1393 -3.076530 7.040887 
1 1 1   21   11    3 o   47.538   3.9969   17.103   2.8066   22.709   7.8574   16.283   3.0049   52.967   10.321   46.300   4.4059 6.666702 11.22165 
1 1 1   21   11    4 o   63.546   4.2564   30.533   4.0094   23.435   7.7257   33.149   4.6905   53.889   9.9831   66.104   4.7916 -12.21507 11.07351 
1 1 1   21   11    5 o   78.949   6.0532   47.725   7.0711   44.230   8.5864   55.091   12.465   75.351   7.7534   82.903   10.307 -7.551483 12.89732 
1 1 1   21   11    6 o  101.572   2.9887   77.361   4.5262   74.283   9.2713   78.324   5.1862   98.340   6.3573  102.113   3.4064 -3.773254 7.212370 
1 1 1   21   11    7 o   35.962   6.5602   10.235   3.3879   17.864   6.9745   7.8789   3.8759   46.322   10.358   31.161   8.2228 15.16069 13.22528 
1 1 1   21   11    8 o   52.404   4.9532   21.095   3.8242   15.201   10.816   21.937   4.0882   41.671   14.360   53.367   5.2042 -11.69616 15.27367 
1 1 1   21   11    9 o  107.925   2.8519   87.620   4.5891   78.441   8.6215   91.249   5.4208  100.579   5.7734  109.967   3.3062 -9.388512 6.653013 
1 1 1   21   11   10 o   48.790   5.1048   18.581   3.6585   17.703   7.3503   18.869   4.2181   44.181   11.156   48.805   5.9176 -4.623951 12.62841 
1 1 1   21   11   11 o   62.765   4.0147   30.338   3.7373   21.419   7.0752   33.790   4.4015   48.743   10.069   65.986   4.5007 -17.24272 11.02878 
1 1 1   21   11   12 o   36.534   6.5649   11.154   3.4446   0.5495   6.3925   15.492   4.0889   21.890   9.7382   43.196   6.5547 -21.30605 11.73867 
1 1 1   21   11   13 o   14.026   6.5640  -2.3855   3.4283  -8.2384   6.1602   0.2406   4.1264   15.980   7.8099   17.865   7.8915 -1.885203 11.10269 
1 1 1   21   12    0 o   61.008   12.768   31.884   10.233   31.884   10.233   31.884   10.233   61.008   12.768   61.008   12.768 0.000000 0.000000 
1 1 1   21   12    1 o   26.471   10.746   2.8589   6.6241   6.4406   8.7993  -1.8259   10.063   32.661   12.659   27.600   12.251 5.060980 17.61628 
1 1 1   21   12    2 o  109.373   4.8719   90.436   7.9448   92.626   10.319   87.248   12.451  110.002   6.3179  105.954   7.9391 4.047997 10.14625 
1 1 1   21   12    3 o   52.092   3.3114   20.447   2.5585   5.9984   7.6651   22.259   2.7142   30.993   11.866   54.350   3.3660 -23.35739 12.33456 
1 1 1   21   12    4 o   68.428   3.9528   35.382   4.0156   35.460   8.2017   35.357   4.6053   66.971   8.3986   68.255   4.5515 -1.284241 9.552593 
1 1 1   21   12    5 o   62.317   8.8457   31.094   7.9880   31.094   7.9880   0.0000   0.0000   62.317   8.8457  ?   ?  0.000000 8.845680 
1 1 1   21   12    6 o   52.023   4.4670   20.651   3.4312   12.228   7.4400   22.926   3.8670   38.050   11.847   54.744   4.7859 -16.69380 12.77677 
1 1 1   21   12    7 o   60.038   5.8015   27.972   5.1285   29.254   10.774   27.597   5.8316   57.354   12.910   59.239   6.7215 -1.884422 14.55527 
1 1 1   21   12    8 o   44.563   5.2144   15.459   3.3990   11.263   6.7664   16.875   3.9310   35.922   11.316   46.354   5.8159 -10.43152 12.72321 
1 1 1   21   12    9 o   30.284   8.2336   7.7689   3.8155   2.7970   6.3901   10.524   4.7565   24.845   10.365   34.901   9.0609 -10.05624 13.76742 
1 1 1   21   12   10 o   81.917   3.6093   51.211   4.4082   53.057   9.8456   50.748   4.9300   79.066   8.4845   81.189   4.0857 -2.123177 9.417006 
1 1 1   21   12   11 o   53.244   5.4318   22.712   4.2517   23.584   7.0068   22.204   5.3490   50.827   9.5979   51.370   7.1800 -0.5432549 11.98636 
1 1 1   21   12   12 o   23.397   7.8680   4.7689   3.2445   4.2874   6.2647   4.9454   3.7928   24.489   10.244   23.853   8.4820 0.6361179 13.29974 
1 1 1   21   12   13 o   47.041   5.7154   18.503   3.9263   9.5984   7.4004   21.992   4.6320   29.089   11.509   50.813   6.2455 -21.72358 13.09426 
1 1 1   21   13    0 o   76.776   9.4135   46.830   10.342   46.830   10.342   46.830   10.342   76.776   9.4135   76.776   9.4135 0.000000 0.000000 
1 1 1   21   13    1 o   86.971   6.0490   58.123   7.7951   39.768   10.266   83.121   11.980   69.945   10.139  103.078   7.8540 -33.13279 12.82539 
1 1 1   21   13    2 o   46.658   10.225   18.055   6.9168   16.562   9.0501   20.153   10.726   43.844   12.949   47.821   14.089 -3.976852 19.13591 
1 1 1   21   13    3 o   21.877   6.6035   3.7310   2.3344 -10.9577   7.4569   5.3270   2.4580   18.342   8.8788   25.824   6.4131 -7.481350 10.95266 
1 1 1   21   13    4 o   43.627   5.2492   14.711   3.3459   9.7177   7.5024   15.951   3.7382   34.732   11.960   45.327   5.6543 -10.59532 13.22928 
1 1 1   21   13    5 o   58.022   4.6416   25.757   3.9818   26.711   8.0824   25.452   4.5756   56.680   9.9257   57.415   5.4088 -0.7342644 11.30372 
1 1 1   21   13    6 o   11.015   5.3304  -4.1907   2.6830  -7.3356   6.8524  -3.6213   2.9158   18.717   8.9143   12.142   5.7915 6.575583 10.63041 
1 1 1   21   13    7 o   58.916   3.8208   26.459   3.3382   21.122   7.0139   28.022   3.7956   49.657   9.8214   60.488   4.2354 -10.83084 10.69569 
1 1 1   21   13    8 o   19.218   7.4911   2.1399   3.0951   1.4836   6.3551   2.3440   3.5438   23.452   10.082   20.276   7.9824 3.176710 12.85952 
1 1 1   21   13    9 f   45.564   6.2589   16.849   4.1397   12.299   6.3778   20.162   5.4417   36.055   10.922   48.942   7.7127 -12.88684 13.37077 
1 1 1   21   13   10 o   38.898   5.7674   12.330   3.2435   21.327   6.4267   9.2557   3.7571   48.563   9.2131   32.469   7.8479 16.09383 12.10252 
1 1 1   21   13   11 o   83.097   3.9137   53.643   4.8490   45.066   7.6845   59.318   6.2504   72.549   7.1992   86.315   4.8768 -13.76559 8.695504 
1 1 1   21   13   12 o   38.344   6.9278   12.939   3.8148   4.1050   10.324   14.336   4.1054   25.650   11.789   40.251   7.1003 -14.60134 13.76186 
1 1 1   21   14    0 o   23.491   14.077   5.0246   8.8176   5.0246   8.8176   5.0246   8.8176   23.491   14.077   23.491   14.077 0.000000 0.000000 
1 1 1   21   14    1 o   54.041   8.7602   23.771   6.8168   32.744   9.6434   14.810   9.6375   62.406   10.752   41.057   13.554 21.34870 17.30103 
1 1 1   21   14    2 o   26.014   10.379   3.6352   6.0657   2.9603   7.8359   4.6442   9.5813   27.518   11.479   30.825   12.762 -3.307346 17.16511 
1 1 1   21   14    3 o   25.371   10.930   1.0767   7.5001  -1.5939   11.910   2.8316   9.6548   28.935   13.048   29.330   12.513 -0.3948383 18.07819 
1 1 1   21   14    4 o   48.859   4.5369   18.346   3.2673  -0.7089   11.908   19.897   3.3977   29.181   13.113   50.903   4.5241 -21.72116 13.87193 
1 1 1   21   14    5 o   50.693   5.0178   19.928   3.7427   8.0865   7.1808   24.345   4.3855   31.701   11.617   55.945   5.3217 -24.24406 12.77813 
1 1 1   21   14    6 o   34.674   5.5480   9.5569   2.7715   4.6222   6.5523   10.632   3.0586   26.938   10.774   36.506   5.8144 -9.568060 12.24273 
1 1 1   21   14    7 o   62.467   3.4702   29.769   3.2193   27.658   7.0284   30.329   3.6215   57.112   8.5141   62.876   3.8821 -5.763672 9.357362 
1 1 1   21   14    8 f   76.302   3.3181   44.364   3.7748   40.643   7.2594   45.744   4.4192   70.177   7.0327   77.195   3.8396 -7.018036 8.012539 
1 1 1   21   14    9 o   68.252   3.7547   35.993   3.8062   39.743   9.9698   35.353   4.1181   64.430   10.758   67.403   4.1175 -2.972626 11.51877 
1 1 1   21   14   10 o   20.285   7.5869   3.1773   3.0910  -0.9982   6.2949   4.5039   3.5482   20.071   9.2177   22.934   8.1986 -2.862471 12.33622 
1 1 1   21   14   11 o   16.579   7.1025   0.9050   3.1342  -0.3123   6.5789   1.2624   3.5648   20.338   9.3707   17.753   7.5892 2.584848 12.05838 
1 1 1   21   15    0 o   60.778   19.523   38.415   15.611   38.415   15.611   38.415   15.611   60.778   19.523   60.778   19.523 0.000000 0.000000 
1 1 1   21   15    1 f   36.802   13.680   11.783   10.019   33.270   14.695  -6.8817   13.696   56.644   16.435   27.769   13.035 28.87512 20.97696 
1 1 1   21   15    2 f   27.355   10.934   4.6092   6.7436   0.8407   7.6509   17.731   14.277   24.980   10.898   42.380   16.202 -17.39987 19.52662 
1 1 1   21   15    3 o   35.354   10.462   11.036   5.9024   7.5868   7.6623   16.069   9.2562   31.124   11.877   41.044   13.268 -9.920233 17.80721 
1 1 1   21   15    4 o   25.953   4.7320   5.3350   1.7636   6.1113   7.0422   5.2831   1.8217   28.862   11.286   25.769   4.9208 3.092497 12.31188 
1 1 1   21   15    5 o   16.254   6.9099   0.4579   2.9257  -6.3085   6.5588   2.1387   3.2689   18.261   8.7035   19.430   7.6611 -1.168755 11.59503 
1 1 1   21   15    6 o   25.581   9.7186   5.0677   5.1165   9.0257   6.6595  -0.6347   7.9934   31.360   11.230   23.417   10.613 7.942932 15.45111 
1 1 1   21   15    7 o   66.599   3.2169   33.825   3.1943   25.933   7.3379   35.671   3.5482   53.422   9.5639   68.168   3.5028 -14.74615 10.18515 
1 1 1   21   15    8 o   26.759   8.6951   6.5002   3.9720   6.4738   8.5456   6.5075   4.4860   27.990   11.850   26.724   9.2457 1.266066 15.03026 
1 1 1   21   15    9 o   49.079   4.4961   19.167   3.2535   26.023   7.0184   17.291   3.6718   52.409   9.3235   45.918   5.4710 6.490932 10.81016 
1 1 1   21   15   10 o   62.115   3.8053   30.324   3.5072   31.560   7.1161   29.928   4.0307   57.960   8.4860   61.132   4.4528 -3.172508 9.583322 
1 1 1   21   16    0 o   29.995   14.922   11.144   8.0890   11.144   8.0890   11.144   8.0890   29.995   14.922   29.995   14.922 0.000000 0.000000 
1 1 1   21   16    1 o   30.688   10.488   8.2916   5.7661   5.8502   7.8621   11.133   8.4822   28.809   11.703   34.502   12.629 -5.693253 17.21737 
1 1 1   21   16    2 o   17.494   8.2562  -4.6286   5.6259  -4.1661   7.6052  -5.1876   8.3609   20.986   9.8070   21.498   10.121 -0.5116825 14.09291 
1 1 1   21   16    3 o   42.596   9.1341   16.033   5.6269   21.927   7.6749   9.1822   8.2743   48.499   10.881   31.925   12.303 16.57380 16.42433 
1 1 1   21   16    4 o   40.674   9.0411   14.764   5.3407   17.669   7.3069   11.431   7.8256   42.641   11.308   34.011   12.174 8.629269 16.61579 
1 1 1   21   16    5 o   33.957   5.8162   9.4472   2.8387   12.060   6.4330   8.8153   3.1634   34.931   11.037   32.276   6.7889 2.655472 12.95778 
1 1 1   21   16    6 o   50.176   4.6033   19.905   3.4054   12.294   6.6174   22.647   3.9717   34.587   11.222   53.233   5.0652 -18.64589 12.31251 
1 1 1   21   16    7 o   34.462   5.2188   9.6958   2.5976   0.1409   8.7145   10.628   2.7213   23.330   10.762   36.113   5.2042 -12.78314 11.95435 
1 1 1   21   16    8 o   25.936   7.3425   6.0964   2.9677   7.6250   6.5599   5.7031   3.3277   27.385   10.835   24.879   7.9463 2.505955 13.43678 
1 1 1   21   16    9 o   15.665   6.8196   0.5270   2.9815   4.9589   6.2744  -0.7655   3.3884   23.855   10.130   15.055   6.8565 8.800350 12.23213 
1 1 1   21   17    0 o   22.209   13.344   5.3025   7.9674   5.3025   7.9674   5.3025   7.9674   22.209   13.344   22.209   13.344 0.000000 0.000000 
1 1 1   21   17    1 o   23.361   9.5277   3.5446   5.2377   2.5728   7.3159   4.5664   7.5022   24.464   10.666   26.288   11.115 -1.823566 15.40439 
1 1 1   21   17    2 o   21.900   9.2445   2.3559   5.1762  -0.6250   7.1391   5.6600   7.5160   21.835   9.9474   27.143   11.276 -5.307625 15.03643 
1 1 1   21   17    3 o   25.679   9.7016   5.6629   5.0808   15.195   7.1115  -4.2750   7.2615   38.212   11.524   19.706   9.3242 18.50618 14.82358 
1 1 1   21   17    4 o   25.699   9.7776   5.8051   5.1836   3.2349   6.9531   9.0208   7.7775   24.147   10.463   29.895   11.808 -5.747095 15.77652 
1 1 1   21   17    5 o   14.305   6.2241   0.1198   2.4809   4.3743   6.7573  -0.5430   2.6671   24.673   10.496   13.927   6.2361 10.74560 12.20838 
1 1 1   21   17    6 o   34.854   6.7896   10.616   3.4014   11.786   9.2433   10.433   3.6581   31.078   12.664   34.069   7.4124 -2.991005 14.67371 
1 1 1   21   17    7 o   36.863   4.1038   10.850   2.2173   17.004   6.6291   10.075   2.3528   39.077   10.943   35.224   4.5889 3.852890 11.86621 
1 1 1   21   17    8 o   28.383   6.5458   7.2616   2.7136   0.3564   6.1998   8.8979   3.0180   19.745   9.0973   31.427   6.6483 -11.68217 11.26774 
1 1 1   21   18    0 o   18.486   11.735   2.4293   7.0325   2.4293   7.0325   2.4293   7.0325   18.486   11.735   18.486   11.735 0.000000 0.000000 
1 1 1   21   18    1 o   25.947   9.8787   6.2853   5.2936   8.4718   7.6391   4.2655   7.3422   28.661   11.573   24.792   10.747 3.868807 15.79340 
1 1 1   21   18    2 o   16.489   7.8001  -3.3733   5.0752  -4.3048   7.0798  -2.3886   7.2791   18.924   9.0258   20.164   9.4773 -1.239893 13.08762 
1 1 1   21   18    3 o   17.736   8.1764  -1.2905   5.0185   4.5265   6.9305  -7.7031   7.2766   24.450   10.520   17.559   8.5613 6.890537 13.56347 
1 1 1   21   18    4 o   21.900   9.5213   2.8034   5.7966   1.2513   6.8632   6.6656   10.826   21.612   9.8099   26.993   12.279 -5.380972 15.71635 
1 1 1   21   18    5 o   31.163   10.778   11.155   6.0962   9.5393   9.5886   12.251   7.8978   28.036   12.217   30.942   11.993 -2.906975 17.11940 
1 1 1   21   18    6 o   10.449   5.1166  -4.3033   2.6824  -8.5841   6.4850  -3.4197   2.9462   15.639   7.7164   11.727   5.6530 3.911799 9.565518 
1 1 1   21   18    7 o   40.120   6.4771   14.470   3.7425   14.147   9.3809   14.531   4.0813   29.599   12.467   39.432   7.2076 -9.833349 14.40059 
1 1 1   21   19    0 o   15.931   10.639  -0.3629   6.9261  -0.3629   6.9261  -0.3629   6.9261   15.931   10.639   15.931   10.639 0.000000 0.000000 
1 1 1   21   19    1 o   20.674   8.9977   2.5136   5.1872  -2.3444   7.1882   7.7922   7.4930   19.341   9.1880   26.438   11.139 -7.096546 14.43956 
1 1 1   21   19    2 o   13.673   6.8434 -11.9198   5.8804 -12.9009   7.0652  -9.7080   10.608   15.071   7.5367   19.629   9.7185 -4.557977 12.29838 
1 1 1   21   19    3 o   30.548   11.613   12.328   7.3093   14.242   9.6833   9.7934   11.144   30.440   12.735   27.078   12.371 3.362795 17.75471 
1 1 1   21   19    4 o   14.303   7.0880  -8.6977   5.6912  -0.8290   9.9169 -12.5618   6.9495   21.514   10.371   14.809   7.4161 6.704908 12.74966 
1 1 1   21   19    5 o   29.863   13.251   17.995   11.762   17.995   11.762   0.0000   0.0000   29.863   13.251  ?   ?  0.000000 13.25084 
1 1 1   21   20    0 o   16.882   11.665  -2.5722   9.9314  -2.5722   9.9314  -2.5722   9.9314   16.882   11.665   16.882   11.665 0.000000 0.000000 
1 1 1   21   20    1 o   17.207   8.2554  -2.5588   6.1126   9.6300   9.8803 -10.1169   7.7803   25.364   11.611   16.137   8.0448 9.226801 14.12577 
1 1 1   21   20    2 o   34.030   11.213   15.847   6.5964   0.5490   10.122   27.140   8.6968   21.163   10.268   42.863   12.703 -21.70025 16.33350 
1 1 1   21   20    3 o   23.546   10.388   7.0384   7.1286   5.6283   9.9506   8.5252   10.217   22.810   10.828   24.124   11.303 -1.314215 15.65301 
1 1 1   22    1    0 o   62.889   5.3502   30.182   4.9332   30.182   4.9332   30.182   4.9332   62.889   5.3502   62.889   5.3502 0.000000 0.000000 
1 1 1   22    1    1 o   88.590   2.9023   58.597   3.8335   61.714   5.0392   54.315   5.9063   90.871   3.7193   85.061   4.6750 5.810036 5.974038 
1 1 1   22    1    2 o  220.624   2.7549  363.380   9.0621  371.001   12.085  353.591   13.697  222.808   3.6379  217.423   4.2253 5.384293 5.575623 
1 1 1   22    1    3 o  134.128   2.6810  134.304   5.3615  136.364   6.5482  130.113   9.3387  135.108   3.2507  131.821   4.7515 3.287582 5.757067 
1 1 1   22    1    4 o  219.298   2.1169  358.851   6.9217  353.623   9.2505  365.501   10.434  217.613   2.8511  221.195   3.1636 -3.581711 4.258769 
1 1 1   22    1    5 o  145.685   2.5869  158.459   5.6190  151.113   8.4199  164.357   7.5449  142.125   3.9734  148.290   3.4125 -6.165558 5.237678 
1 1 1   22    1    6 o  200.431   2.3510  299.881   7.0257  285.299   8.5235  330.789   12.409  195.425   2.9253  210.248   3.9584 -14.82332 4.922027 
1 1 1   22    1    7 o   24.041   7.5127   4.3418   2.9890   2.1900   3.8989   7.4095   4.6553   21.543   8.4048   30.998   9.3181 -9.455479 12.54857 
1 1 1   22    1    8 o   25.419   8.2902   4.7536   3.6094   5.9140   4.5475   2.7776   5.9339   28.335   9.3084   25.762   10.270 2.573317 13.86057 
1 1 1   22    1    9 o  122.865   2.8413  112.828   5.2049  111.045   8.4859  113.904   6.5901  121.621   4.6797  123.355   3.5832 -1.734085 5.893960 
1 1 1   22    1   10 o   51.750   4.6201   20.268   3.5273   17.336   5.0866   22.985   4.8955   47.224   7.4731   54.851   6.0889 -7.627224 9.639608 
1 1 1   22    1   11 o   54.225   5.8367   22.456   4.6446   21.418   5.6983   24.510   8.0169   52.540   7.4858   55.493   10.060 -2.952900 12.53949 
1 1 1   22    1   12 o   80.448   3.3616   48.505   4.0321   53.939   6.2995   44.734   5.2479   84.412   5.0281   76.946   4.5953 7.466263 6.811675 
1 1 1   22    1   13 o   69.388   3.8242   36.328   3.9411   35.598   5.9859   36.887   5.2361   68.108   5.9545   69.606   5.0804 -1.497292 7.827324 
1 1 1   22    1   14 o   30.940   7.1969   7.7369   3.2574   2.2535   5.5222   10.663   4.0339   23.816   9.7561   36.274   7.6969 -12.45802 12.42669 
1 1 1   22    1   15 o   51.720   4.9742   20.731   3.7885   19.278   5.8031   21.811   5.0014   48.251   8.3699   52.358   6.5501 -4.107033 10.62824 
1 1 1   22    1   16 o   86.703   3.0768   56.944   3.9775   59.027   6.3178   55.577   5.1194   87.112   4.8840   85.174   4.0313 1.938622 6.332812 
1 1 1   22    1   17 o   66.462   4.0047   34.238   3.9499   33.532   7.4166   34.517   4.6668   62.201   8.1968   66.219   4.7585 -4.018700 9.477945 
1 1 1   22    2    0 o  158.140   3.9262  187.018   9.2445  187.018   9.2445  187.018   9.2445  158.140   3.9262  158.140   3.9262 0.000000 0.000000 
1 1 1   22    2    1 o  131.596   2.5709  129.274   5.0443  129.335   6.1722  129.153   8.7534  131.583   3.1461  131.357   4.4694 0.2265015 5.465701 
1 1 1   22    2    2 o  113.014   2.4145   95.331   4.0685   91.328   5.2533  101.331   6.4313  110.566   3.1867  116.421   3.7051 -5.854431 4.886985 
1 1 1   22    2    3 o   94.356   2.8095   66.485   3.9525   66.133   4.9446   67.109   6.5781   94.060   3.5258   94.656   4.6610 -0.5962296 5.844327 
1 1 1   22    2    4 f  174.531   2.1859  227.333   5.6882  223.628   7.4651  232.461   8.7834  173.032   2.8936  176.360   3.3403 -3.327774 4.419375 
1 1 1   22    2    5 o   85.874   3.1146   55.106   3.9879   53.290   4.6864   59.873   7.5922   84.404   3.7240   89.076   5.7473 -4.671410 6.848274 
1 1 1   22    2    6 o   73.355   3.1717   40.222   3.4689   37.058   4.5674   44.535   5.3325   70.190   4.3864   76.928   4.6713 -6.738106 6.407903 
1 1 1   22    2    7 o  171.501   2.4125  219.641   6.1688  224.613   8.9468  215.135   8.5172  173.276   3.4630  169.596   3.3683 3.679214 4.830943 
1 1 1   22    2    8 o   71.078   3.4837   37.808   3.6918   38.690   5.0947   36.833   5.3572   71.621   4.7988   69.805   5.1843 1.816010 7.064353 
1 1 1   22    2    9 o  191.947   2.2816  275.157   6.5297  295.598   9.5077  256.909   8.9834  198.776   3.2080  185.303   3.2515 13.47330 4.567717 
1 1 1   22    2   10 o   98.139   2.9429   72.030   4.3061   71.805   6.2024   72.240   5.9831   97.815   4.2529   98.135   4.0892 -0.3199921 5.899828 
1 1 1   22    2   11 o  104.303   2.8575   81.388   4.4439   84.818   7.1517   79.231   5.6717  106.201   4.5166  102.790   3.7008 3.410500 5.839145 
1 1 1   22    2   12 o  137.325   2.5910  141.094   5.3050  137.455   8.1467  143.773   6.9902  135.193   4.0416  138.446   3.3864 -3.252365 5.272808 
1 1 1   22    2   13 o   59.489   5.5023   27.170   4.8251   26.296   7.7813   27.717   6.1503   56.951   9.4984   59.543   7.0657 -2.591423 11.83822 
1 1 1   22    2   14 o   54.147   5.0765   22.613   4.0505   31.664   7.3540   18.671   4.8530   62.719   8.0500   48.462   6.9123 14.25661 10.61049 
1 1 1   22    2   15 o   18.608   7.6666   1.2867   3.4347   0.2697   6.1624   1.7450   4.1368   22.239   9.7395   20.494   8.4252 1.745489 12.87797 
1 1 1   22    2   16 o   52.527   5.0538   21.733   3.9091   19.478   5.3037   24.414   5.7839   48.112   7.6496   54.175   7.3505 -6.062172 10.60880 
1 1 1   22    2   17 o   27.140   7.9423   6.5754   3.4186   11.665   6.3534   4.5012   4.0557   33.859   10.997   23.427   8.7047 10.43219 14.02498 
1 1 1   22    3    0 o  150.461   3.1415  169.143   7.0405  169.143   7.0405  169.143   7.0405  150.461   3.1415  150.461   3.1415 0.000000 0.000000 
1 1 1   22    3    1 o   61.784   3.5688   28.634   3.2735   26.086   4.2121   32.520   5.2020   58.800   4.8477   65.618   5.3640 -6.818428 7.229981 
1 1 1   22    3    2 o  199.307   2.1228  296.442   6.3083  298.177   8.4379  294.243   9.4985  199.807   2.8324  198.432   3.2105 1.375275 4.281327 
1 1 1   22    3    3 o   36.795   5.8532   10.423   3.1036   13.094   3.5481   1.7218   6.4037   41.324   5.9286   25.455   10.476 15.86873 12.03696 
1 1 1   22    3    4 o   26.777   7.5964   5.5636   3.1730   5.9646   3.6624   4.3568   6.3537   27.833   8.2420   28.280   10.809 -0.4474926 13.59316 
1 1 1   22    3    5 o  109.146   2.5694   88.970   4.1814   82.832   5.3716   98.407   6.6609  105.241   3.4234  114.655   3.8964 -9.414696 5.186677 
1 1 1   22    3    6 o  104.702   3.1638   81.967   4.9390   76.863   7.6656   85.589   6.4581  101.025   5.1057  106.890   4.0522 -5.865021 6.518358 
1 1 1   22    3    7 o   94.639   2.9227   66.952   4.1240   64.077   5.5458   70.509   6.1683   92.473   4.0223   96.971   4.2663 -4.498680 5.863487 
1 1 1   22    3    8 o   57.539   4.2162   24.962   3.5918   19.464   4.8665   31.541   5.3233   50.300   6.6523   64.465   5.5939 -14.16509 8.691671 
1 1 1   22    3    9 o  117.270   2.6948  102.794   4.7118  103.126   6.5705  102.443   6.7607  117.312   3.7565  116.903   3.8788 0.4089127 5.399660 
1 1 1   22    3   10 o   65.802   4.2169   32.643   4.1154   28.325   5.4334   38.453   6.3030   60.898   6.0648   71.058   6.0056 -10.15973 8.535108 
1 1 1   22    3   11 o   94.581   3.3435   67.050   4.7149   69.921   8.6048   65.818   5.6363   95.815   6.0545   93.592   4.0391 2.223640 7.278120 
1 1 1   22    3   12 o  118.531   2.7366  105.227   4.8362  107.674   7.6968  103.631   6.2168  119.489   4.3203  117.443   3.5503 2.045830 5.591932 
1 1 1   22    3   13 o  103.939   3.4089   81.329   5.2828   70.527   7.8830   90.135   7.1175   95.881   5.5378  109.077   4.3765 -13.19636 7.058395 
1 1 1   22    3   14 o   44.499   5.4307   15.483   3.5284   17.250   5.3646   14.135   4.6841   45.775   8.1595   41.479   7.8618 4.295856 11.33072 
1 1 1   22    3   15 o   14.309   6.7051  -3.0283   3.5962  -3.1279   6.2332  -2.9787   4.4029   19.609   9.0652   16.227   7.5422 3.382383 11.79253 
1 1 1   22    3   16 o   50.546   4.5566   20.031   3.3971   20.016   5.3616   20.041   4.3908   48.477   7.6736   49.657   6.0560 -1.179771 9.775413 
1 1 1   22    4    0 o   93.019   3.6344   64.887   5.0231   64.887   5.0231   64.887   5.0231   93.019   3.6344   93.019   3.6344 0.000000 0.000000 
1 1 1   22    4    1 o   95.168   2.5834   67.634   3.6656   68.317   4.7938   66.672   5.6880   95.591   3.3635   94.372   4.0424 1.219055 5.258770 
1 1 1   22    4    2 o  183.457   2.1239  251.201   5.8094  245.727   7.6625  258.601   8.9092  181.364   2.8337  185.998   3.2126 -4.634476 4.283767 
1 1 1   22    4    3 o  147.827   2.6735  163.227   5.8926  163.328   6.5036  162.766   13.925  147.842   2.9505  146.957   6.3551 0.8845978 7.006624 
1 1 1   22    4    4 o  166.685   2.1997  207.413   5.4667  203.107   7.1689  213.396   8.4504  164.860   2.9165  168.917   3.3553 -4.057678 4.445719 
1 1 1   22    4    5 o  104.201   2.6960   81.124   4.1885   76.366   5.3381   88.745   6.7563  101.018   3.5442  108.819   4.1642 -7.800995 5.468265 
1 1 1   22    4    6 o  203.073   2.7601  308.193   8.3570  316.150   15.592  304.986   9.8988  205.066   5.0997  201.909   3.2882 3.157135 6.067885 
1 1 1   22    4    7 o   23.573   9.0856   2.9021   4.5134 -15.2857   10.847   6.7099   4.9634   22.628   10.892   29.908   9.7200 -7.279888 14.59862 
1 1 1   22    4    8 o  124.993   2.5914  116.759   4.8294  116.060   6.5994  117.565   7.0860  124.482   3.5557  125.247   3.7946 -0.7642288 5.200200 
1 1 1   22    4    9 o  171.611   2.4421  220.071   6.2486  207.038   8.3583  236.585   9.4085  166.272   3.3715  177.698   3.5512 -11.42529 4.896715 
1 1 1   22    4   10 o   19.514   7.6506   1.7883   3.2428   4.2103   4.8202  -0.2142   4.3829   25.775   9.5070   19.376   8.3514 6.398792 12.65416 
1 1 1   22    4   11 o   83.755   3.2966   52.615   4.1167   58.597   6.4822   48.572   5.3295   87.915   4.9656   80.146   4.4779 7.768723 6.686441 
1 1 1   22    4   12 o   23.678   8.7907   3.5998   4.1346   0.4266   7.2130   5.1526   5.0458   24.845   10.711   27.081   9.7665 -2.235924 14.49527 
1 1 1   22    4   13 o  136.918   2.5724  140.687   5.2514  142.681   8.2965  139.355   6.7832  137.209   4.0554  135.956   3.3463 1.253601 5.257813 
1 1 1   22    4   14 o   72.585   4.3336   40.443   4.6686   30.737   5.9386   56.145   7.5536   62.114   6.5092   84.468   6.0376 -22.35344 8.878155 
1 1 1   22    4   15 f   36.482   7.3796   11.217   3.8762   12.855   5.0312   8.8242   6.0801   38.136   8.9943   31.187   10.765 6.949306 14.02814 
1 1 1   22    4   16 o   30.844   7.4583   8.3167   3.3922   5.7069   5.2648   10.169   4.4356   25.905   9.8544   33.304   8.8005 -7.398846 13.21199 
1 1 1   22    5    0 o   91.606   3.7286   62.970   5.0734   62.970   5.0734   62.970   5.0734   91.606   3.7286   91.606   3.7286 0.000000 0.000000 
1 1 1   22    5    1 o  125.392   2.6372  117.450   4.9305  119.906   5.7465  110.594   9.5989  126.655   3.0431  121.307   5.3072 5.347511 6.117722 
1 1 1   22    5    2 o   84.651   3.1510   53.577   3.9769   54.698   4.4501   49.129   8.8627   85.504   3.4907   80.183   7.5004 5.320854 8.272961 
1 1 1   22    5    3 o   64.487   3.6633   31.229   3.5077   36.301   3.9764   13.438   7.4469   69.518   3.8515   41.040   11.636 28.47814 12.25651 
1 1 1   22    5    4 o   86.211   3.2673   55.597   4.1998   53.795   4.6804   63.043   9.5146   84.761   3.7035   90.971   7.0703 -6.210197 7.981606 
1 1 1   22    5    5 o   77.664   3.7029   45.174   4.2878   43.025   4.8885   52.341   8.9275   75.604   4.3551   82.742   7.3118 -7.137779 8.510565 
1 1 1   22    5    6 o   57.349   4.5328   24.850   3.8443   22.337   5.1225   28.090   5.8167   53.961   6.4975   60.585   6.5433 -6.623344 9.221274 
1 1 1   22    5    7 o  134.651   2.9066  135.594   5.8354  127.320   9.2079  141.147   7.5436  130.134   4.7457  137.248   3.6864 -7.113647 6.009250 
1 1 1   22    5    8 o   83.525   2.9991   52.195   3.7349   51.234   5.3832   53.088   5.1860   82.468   4.3940   84.099   4.1359 -1.631432 6.034322 
1 1 1   22    5    9 o   80.254   4.1951   48.521   5.0023   50.336   5.8092   43.316   9.8383   81.616   4.7949   74.389   9.0574 7.227669 10.24828 
1 1 1   22    5   10 o   69.093   3.6343   35.933   3.7307   30.503   5.6293   40.186   4.9818   63.084   6.0596   72.872   4.6089 -9.787968 7.613178 
1 1 1   22    5   11 o   30.801   7.4416   7.6120   3.3793   3.7017   5.3527   10.203   4.3574   25.551   9.8813   35.509   8.3675 -9.958864 12.94815 
1 1 1   22    5   12 o   41.796   6.1249   13.705   3.7035   19.104   5.4122   8.9494   5.0789   48.875   7.6804   32.905   9.6954 15.96961 12.36892 
1 1 1   22    5   13 o   12.343   5.9021  -3.8968   3.0681  -1.9451   4.6627  -5.3871   4.0744   17.834   8.0914   13.985   6.7176 3.848494 10.51652 
1 1 1   22    5   14 o   67.106   3.5881   34.370   3.5770   35.694   5.5806   33.447   4.6602   67.282   5.6144   65.601   4.7979 1.680794 7.385184 
1 1 1   22    5   15 o   74.832   3.4546   42.806   3.8544   50.130   6.0939   37.923   4.9763   79.639   5.1600   69.474   4.8343 10.16534 7.070743 
1 1 1   22    5   16 o   32.004   7.5566   9.1212   3.5480   17.783   6.6416   5.6620   4.1971   41.996   10.605   25.104   8.9230 16.89189 13.85933 
1 1 1   22    6    0 o  138.451   3.0452  143.279   6.2792  143.279   6.2792  143.279   6.2792  138.451   3.0452  138.451   3.0452 0.000000 0.000000 
1 1 1   22    6    1 o  182.844   2.0882  249.588   5.6928  245.957   7.6491  254.096   8.5235  181.402   2.8281  184.330   3.1013 -2.928345 4.197216 
1 1 1   22    6    2 o   65.599   3.1986   32.190   3.1284   33.088   3.8757   30.511   5.2996   66.335   3.9363   63.392   5.6669 2.943390 6.899881 
1 1 1   22    6    3 o  107.948   2.9091   87.124   4.6822   83.362   5.3503   99.427   9.6760  105.536   3.4002  114.857   5.6503 -9.320770 6.594498 
1 1 1   22    6    4 o   54.503   4.5596   22.463   3.6712   23.008   4.0229   19.747   8.9789   55.097   4.9499   49.229   12.275 5.868053 13.23557 
1 1 1   22    6    5 o  120.885   2.8006  109.258   5.0476   98.523   6.8600  121.932   7.4538  114.617   4.0142  127.525   3.9202 -12.90855 5.610913 
1 1 1   22    6    6 o   90.188   2.9755   60.846   4.0011   52.608   5.0858   74.227   6.4815   83.735   4.0737   99.414   4.3728 -15.67901 5.976279 
1 1 1   22    6    7 o   87.287   3.2952   57.052   4.2885   48.705   7.6486   60.880   5.1792   79.895   6.4766   90.094   3.8557 -10.19895 7.537372 
1 1 1   22    6    8 o   19.145   8.3294  -0.5630   4.4423  -0.5630   4.4423   0.0000   0.0000   19.145   8.3294  ?   ?  0.000000 8.329450 
1 1 1   22    6    9 o   81.532   3.0337   49.791   3.6878   49.898   5.5097   49.705   4.9636   81.253   4.5665   81.200   4.1134 0.5362701E-01 6.145958 
1 1 1   22    6   10 o   36.884   6.2944   10.662   3.3373   3.6654   5.1084   15.871   4.4080   25.213   9.6793   45.042   6.7735 -19.82906 11.81389 
1 1 1   22    6   11 o   85.521   3.3485   55.014   4.2697   50.700   7.5780   57.020   5.1681   80.956   6.3285   86.905   3.9886 -5.948624 7.480565 
1 1 1   22    6   12 o   41.793   6.5129   13.888   3.9261   12.776   6.0449   14.700   5.1634   38.547   10.315   42.172   8.5053 -3.624985 13.36933 
1 1 1   22    6   13 o   33.150   6.9474   9.0433   3.3239   9.9461   5.0502   8.3533   4.4151   33.745   9.5871   31.182   8.9977 2.562464 13.14805 
1 1 1   22    6   14 o   20.451   7.7329   2.8769   3.2296   1.5484   4.7820   3.9910   4.3793   20.918   8.8607   23.478   8.9741 -2.560532 12.61134 
1 1 1   22    6   15 o   22.089   7.8223   3.9900   3.2226   2.4343   4.9423   5.1407   4.2504   21.623   9.0753   24.598   8.9494 -2.974649 12.74574 
1 1 1   22    7    0 f   23.439   9.5435   5.7638   3.2757   5.7638   3.2757   5.7638   3.2757   23.439   9.5435   23.439   9.5435 0.000000 0.000000 
1 1 1   22    7    1 o   66.383   4.4274   33.232   4.3569   37.318   9.8663   32.242   4.8561   68.903   9.8871   65.273   5.0285 3.629486 11.09239 
1 1 1   22    7    2 o   59.354   3.5247   26.476   3.1052   27.779   3.7481   23.626   5.5445   60.706   4.1662   55.413   6.8574 5.293755 8.023787 
1 1 1   22    7    3 o  216.363   2.3076  349.697   7.4440  344.136   9.2666  359.816   12.499  214.510   2.8974  219.081   3.8266 -4.571350 4.799763 
1 1 1   22    7    4 o   46.706   5.2177   16.635   3.5714   15.942   4.0478   19.068   7.5882   45.519   6.1192   48.602   10.756 -3.082371 12.37499 
1 1 1   22    7    5 o   18.137   7.1778   1.4074   2.8794   1.9677   3.4767   0.1839   5.1378   20.296   7.9316   21.402   9.1291 -1.105810 12.09340 
1 1 1   22    7    6 o  127.805   2.2814  122.039   4.3473  119.897   6.2808  124.009   6.0233  126.520   3.3295  128.705   3.1388 -2.184837 4.575809 
1 1 1   22    7    7 o   57.264   3.7252   24.703   3.1632   22.219   4.4208   27.310   4.5280   53.933   5.5782   59.956   5.1142 -6.022667 7.567826 
1 1 1   22    7    8 o   38.783   6.3599   11.727   3.5501   9.5075   4.4557   15.585   5.8748   34.395   8.6865   44.009   9.2472 -9.614105 12.68719 
1 1 1   22    7    9 o   50.945   4.4298   19.723   3.3313   16.917   4.8599   22.211   4.5752   46.391   7.2647   53.739   5.8023 -7.348064 9.297466 
1 1 1   22    7   10 o   36.098   6.1671   10.249   3.2000   9.8839   5.0079   10.501   4.1601   34.663   9.4364   36.030   7.9566 -1.366863 12.34310 
1 1 1   22    7   11 o   27.535   7.5209   6.1650   3.1750   12.580   4.9190   1.5838   4.1568   38.984   8.6852   20.651   8.4626 18.33283 12.12632 
1 1 1   22    7   12 o   48.001   4.8868   17.884   3.4486   19.766   5.4754   16.647   4.4400   49.129   7.7304   45.498   6.7497 3.630585 10.26244 
1 1 1   22    7   13 o   53.318   4.6043   22.120   3.6243   22.120   6.1990   22.120   4.4675   50.949   8.4569   52.698   5.7809 -1.748028 10.24393 
1 1 1   22    7   14 o   18.372   7.6968   1.2862   3.5443   4.0771   5.5044  -0.6905   4.6324   24.298   9.8193   18.225   8.1853 6.072783 12.78351 
1 1 1   22    7   15 o   29.035   7.9630   7.6934   3.5507   9.2705   6.3909   6.9893   4.2704   29.973   10.963   27.238   9.0239 2.735098 14.19947 
1 1 1   22    8    0 o  101.552   3.3473   77.267   5.0558   77.267   5.0558   77.267   5.0558  101.552   3.3473  101.552   3.3473 0.000000 0.000000 
1 1 1   22    8    1 o   35.193   5.7689   9.5929   2.9222   7.8059   2.9617   75.163   17.940   31.528   6.5160   96.581   12.772 -65.05353 14.33811 
1 1 1   22    8    2 o  176.287   2.4107  232.232   6.3363  234.652   8.3817  229.004   9.6797  177.047   3.1752  174.770   3.7147 2.277451 4.886811 
1 1 1   22    8    3 f   74.137   4.1976   41.408   4.6208   40.468   8.0765   41.865   5.6340   72.435   7.5910   74.359   5.1128 -1.923950 9.152282 
1 1 1   22    8    4 o   32.459   6.8072   8.2994   3.1892   10.232   3.4605  -2.5900   8.2154   36.158   6.6646   24.609   10.987 11.54876 12.85034 
1 1 1   22    8    5 o   78.886   2.8766   46.565   3.3833   48.881   4.7108   44.097   4.8623   80.697   3.9153   76.478   4.2813 4.218819 5.801687 
1 1 1   22    8    6 o   19.047   7.3059   1.9232   2.9089   0.2727   4.0219   3.7337   4.2122   19.110   8.1122   24.219   8.8942 -5.109226 12.03807 
1 1 1   22    8    7 o   90.574   2.8977   61.431   3.9131   65.149   5.8021   58.329   5.2999   93.050   4.1822   88.073   4.0360 4.977066 5.812066 
1 1 1   22    8    8 o   63.362   4.2414   30.393   3.9838   30.111   7.8757   30.490   4.6181   61.553   8.8349   63.295   4.9326 -1.741966 10.11858 
1 1 1   22    8    9 o   71.109   3.3311   38.007   3.5317   34.772   5.2633   40.657   4.7631   67.405   5.2793   73.202   4.3843 -5.796303 6.862475 
1 1 1   22    8   10 o   67.870   4.6250   35.180   4.6522   26.865   6.3418   44.868   6.8454   58.119   7.4930   76.051   6.0881 -17.93205 9.654564 
1 1 1   22    8   11 o   13.279   6.2832  -3.5003   3.2973  -4.0778   5.1983  -3.1116   4.2652   17.337   8.1037   16.006   7.4342 1.330587 10.99717 
1 1 1   22    8   12 o   36.889   6.9265   11.212   3.6697   10.035   6.4280   11.781   4.4696   33.283   11.073   37.140   8.2825 -3.857162 13.82824 
1 1 1   22    8   13 o   17.312   7.1787   1.1481   3.0384  -0.5085   4.6401   2.3916   4.0201   18.507   8.2603   20.692   8.3812 -2.184559 11.76762 
1 1 1   22    8   14 o   16.982   7.3318   0.5700   3.3894   0.1792   4.8337   0.9481   4.7540   19.077   8.4783   19.686   8.5897 -0.6091480 12.06918 
1 1 1   22    9    0 o   87.673   2.9190   57.577   3.8060   57.577   3.8060   57.577   3.8060   87.673   2.9190   87.673   2.9190 0.000000 0.000000 
1 1 1   22    9    1 o   93.754   1.8386   65.626   2.5701   67.031   3.9348   64.581   3.3941   94.658   2.7880   92.949   2.4491 1.708740 3.710930 
1 1 1   22    9    2 o   68.601   2.6677   35.197   2.7286   39.158   3.4614   28.695   4.4346   72.306   3.2107   61.523   4.8744 10.78277 5.836801 
1 1 1   22    9    3 o   81.185   2.4295   49.270   2.9408   53.428   4.0858   44.801   4.2360   84.450   3.2450   77.278   3.6764 7.171280 4.903684 
1 1 1   22    9    4 o   83.191   2.7528   51.783   3.4144   54.823   4.3893   47.123   5.4337   85.510   3.4428   78.962   4.6357 6.547714 5.774288 
1 1 1   22    9    5 o   87.746   2.6957   57.614   3.5267   52.620   4.9119   62.928   5.0667   83.680   3.9369   91.550   3.7119 -7.870209 5.410917 
1 1 1   22    9    6 o   30.630   7.1501   7.4724   3.2059   5.2723   4.0453   11.188   5.2567   26.516   8.7828   37.112   9.4691 -10.59616 12.91520 
1 1 1   22    9    7 o   47.877   4.2504   17.418   3.0026   17.068   4.4155   17.719   4.0951   46.806   6.5028   47.895   5.8567 -1.088936 8.751449 
1 1 1   22    9    8 o   81.235   3.4186   49.632   4.1405   46.986   7.8679   50.645   4.8693   77.744   6.8580   81.930   3.9862 -4.186134 7.932303 
1 1 1   22    9    9 o   91.674   3.0205   63.183   4.1285   64.315   6.8131   62.527   5.1899   91.695   5.0023   90.965   3.8266 0.7293930 6.298125 
1 1 1   22    9   10 o   55.837   4.5504   23.959   3.7553   22.643   4.9484   25.746   5.7666   53.540   6.3209   56.810   6.9532 -3.270344 9.396801 
1 1 1   22    9   11 o   84.709   2.9598   54.218   3.7382   54.482   5.7812   54.029   4.9006   83.989   4.6346   84.144   3.9062 -0.1554947 6.061139 
1 1 1   22    9   12 o   15.451   6.7561  -0.1261   2.9549   3.7822   4.6433  -2.7862   3.8307   23.389   9.1590   14.941   6.9747 8.447744 11.51234 
1 1 1   22    9   13 o   26.890   7.5615   6.3574   3.1584   7.9570   4.5832   4.9108   4.3585   29.237   9.3243   24.297   9.0246 4.939947 12.97637 
1 1 1   22    9   14 o   14.275   6.6894  -2.3818   3.5802  -8.3176   5.4466   2.1343   4.7508   14.605   7.1800   20.518   8.7660 -5.913356 11.33117 
1 1 1   22   10    0 o   96.929   7.3531   71.952   10.486   71.952   10.486   71.952   10.486   96.929   7.3531   96.929   7.3531 0.000000 0.000000 
1 1 1   22   10    1 f   72.245   2.8445   39.070   3.0640   12.185   8.8598   42.722   3.2654   39.214   12.998   75.540   2.8993 -36.32581 13.31763 
1 1 1   22   10    2 o   62.506   2.9294   29.256   2.7300   37.800   8.6994   28.322   2.8753   69.425   8.5876   61.400   3.1515 8.024986 9.147566 
1 1 1   22   10    3 o  101.634   2.5898   77.283   3.9244   79.561   9.3040   76.791   4.3283  102.101   6.1404  101.268   2.8666 0.8325424 6.776577 
1 1 1   22   10    4 o   14.716   6.3374  -0.1535   2.5196   0.3205   3.1087  -1.0609   4.3014   16.975   7.1648   18.247   8.0589 -1.271927 10.78331 
1 1 1   22   10    5 o   37.948   5.5256   11.152   3.0346   12.622   3.8033   8.5777   5.0339   40.131   6.5849   32.651   9.6614 7.480072 11.69204 
1 1 1   22   10    6 o   32.187   6.1722   8.1739   2.8542   8.4775   3.9627   7.8466   4.1146   32.365   8.2017   31.149   8.5841 1.215921 11.87242 
1 1 1   22   10    7 o   88.233   2.8543   58.414   3.7549   55.337   5.8211   60.608   4.9140   85.322   4.5928   89.683   3.6749 -4.361290 5.882089 
1 1 1   22   10    8 o   31.048   6.6325   7.7473   2.9771   8.1249   4.5572   7.4661   3.9321   31.366   9.1676   30.158   8.4218 1.207481 12.44875 
1 1 1   22   10    9 o   28.987   6.9077   6.8625   2.9430   10.452   4.4525   4.0774   3.9219   35.297   8.5507   23.786   8.6054 11.51036 12.13126 
1 1 1   22   10   10 o   21.638   7.4884   3.5705   2.9429  -2.5074   4.5327   7.9992   3.8692   16.926   7.7911   30.649   8.2741 -13.72280 11.36494 
1 1 1   22   10   11 o   49.729   5.2547   19.589   3.8371   22.465   6.8099   18.251   4.6445   50.303   9.4263   47.073   6.8159 3.229630 11.63230 
1 1 1   22   10   12 o   31.591   7.3252   8.6499   3.3832   1.1152   6.5883   11.348   3.9428   22.450   9.9415   36.157   7.5571 -13.70638 12.48775 
1 1 1   22   10   13 o   26.271   8.2066   6.3487   3.5671   9.7958   6.7342   5.0044   4.2055   30.376   11.231   23.911   8.8681 6.464838 14.30972 
1 1 1   22   11    0 o   21.072   13.291   1.9418   8.8597   1.9418   8.8597   1.9418   8.8597   21.072   13.291   21.072   13.291 0.000000 0.000000 
1 1 1   22   11    1 o   87.824   5.5646   58.796   7.2488   54.944   9.4869   64.200   11.236   84.065   7.6528   90.540   8.4202 -6.475197 11.37828 
1 1 1   22   11    2 o  118.918   1.9626  105.676   3.4798   95.929   10.468  106.886   3.6896  111.902   6.2997  119.582   2.0694 -7.679199 6.630875 
1 1 1   22   11    3 o   18.485   7.3413   1.4989   3.0217   17.104   7.7212  -1.3234   3.2836   45.173   11.449   15.417   6.9100 29.75646 13.37276 
1 1 1   22   11    4 o   81.496   3.5504   49.948   4.3140   55.197   8.7962   48.286   4.9502   84.326   7.0612   79.891   4.1702 4.434959 8.200715 
1 1 1   22   11    5 o   38.765   10.691   12.592   6.3798   10.325   7.2398   20.472   13.496   35.594   11.748   47.678   16.047 -12.08322 19.88724 
1 1 1   22   11    6 o   23.032   7.8353   3.9346   3.2180   6.6266   7.2528   3.2748   3.5908   30.790   11.601   22.292   8.2081 8.497881 14.21118 
1 1 1   22   11    7 o   20.236   7.8805   2.2365   3.4228   4.6468   11.232   1.9897   3.5938   32.151   13.597   20.162   8.0065 11.98821 15.77921 
1 1 1   22   11    8 o   47.541   5.0711   17.560   3.5390   19.105   6.8742   17.003   4.1281   47.057   10.100   46.352   6.1232 0.7053108 11.81105 
1 1 1   22   11    9 o   24.105   7.8826   4.7004   3.2624   3.0171   6.2961   5.3182   3.8144   24.835   10.319   25.542   8.5314 -0.7064991 13.38895 
1 1 1   22   11   10 o   55.670   4.6687   24.215   3.8394   19.656   7.0464   26.139   4.5787   46.076   10.492   57.412   5.4129 -11.33590 11.80604 
1 1 1   22   11   11 o   34.542   6.8004   10.103   3.3776   8.6437   6.5653   10.628   3.9388   30.094   11.096   34.841   7.7791 -4.747055 13.55128 
1 1 1   22   11   12 o   18.833   7.5983   2.1555   3.2901  -3.0661   6.7864   3.7599   3.7618   19.401   9.1291   21.800   8.3210 -2.398472 12.35229 
1 1 1   22   11   13 o   52.250   5.2005   22.462   3.9975   16.055   10.274   23.606   4.3395   33.252   13.423   53.235   5.5488 -19.98302 14.52475 
1 1 1   22   12    0 o   36.328   16.391   15.087   9.5301   15.087   9.5301   15.087   9.5301   36.328   16.391   36.328   16.391 0.000000 0.000000 
1 1 1   22   12    1 o   57.838   8.4318   26.720   7.0573   32.088   9.4505   19.953   10.611   62.407   10.532   47.570   14.013 14.83747 17.52966 
1 1 1   22   12    2 f   83.573   5.8465   53.686   7.2391   56.295   9.4358   49.954   11.286   84.756   7.5458   78.480   9.8633 6.276901 12.41866 
1 1 1   22   12    3 o   64.452   2.8086   31.168   2.6990   14.761   8.7948   32.874   2.8358   41.356   12.881   66.182   2.8738 -24.82597 13.19743 
1 1 1   22   12    4 o   21.864   7.9595   3.2146   3.3629   6.0384   7.4584   2.4941   3.7676   30.285   11.678   21.309   8.2763 8.975954 14.31305 
1 1 1   22   12    5 o   17.666   7.7180  -0.3970   3.8490   8.0622   7.3069  -3.6458   4.5282   32.278   11.735   16.330   7.6096 15.94823 13.98665 
1 1 1   22   12    6 o   49.737   5.0823   19.158   3.7159   5.1044   11.555   20.778   3.9244   32.402   13.752   51.792   5.1504 -19.39001 14.68506 
1 1 1   22   12    7 o   50.010   4.5155   19.295   3.3306   22.566   7.1593   18.392   3.7626   51.290   9.7177   48.516   5.2871 2.773499 11.06289 
1 1 1   22   12    8 o   15.770   6.8904  -0.1971   3.0686   1.3391   5.8989  -0.7671   3.5931   22.596   9.7138   16.368   7.2900 6.228058 12.14502 
1 1 1   22   12    9 o   42.211   7.1884   14.916   4.3619   11.343   8.7350   16.102   5.0345   33.962   12.744   43.285   8.0988 -9.322483 15.09964 
1 1 1   22   12   10 o   18.068   7.3916   1.6019   3.1647   1.1071   6.4629   1.7579   3.6296   22.290   9.8598   19.057   7.8695 3.233356 12.61524 
1 1 1   22   12   11 o   28.313   8.5067   7.4645   3.8805   6.1296   6.8550   8.0941   4.7074   26.475   10.860   28.927   9.4691 -2.451672 14.40877 
1 1 1   22   12   12 o   34.977   7.2601   11.032   3.6622   15.480   6.8972   9.2863   4.3217   36.622   11.407   30.590   8.9237 6.031818 14.48277 
1 1 1   22   13    1 o   24.598   10.301   1.9432   6.3439   13.226   8.5418 -11.9361   9.4737   39.004   12.755   21.032   10.138 17.97266 16.29304 
1 1 1   22   13    2 o   84.188   5.5706   54.694   6.9529   55.152   9.4165   54.145   10.310   83.303   7.6676   81.917   8.5680 1.386337 11.49794 
1 1 1   22   13    3 o   20.621   9.3210  -2.1292   6.1199  -4.7899   7.7905   2.1591   9.8904   21.692   10.066   28.980   12.518 -7.287518 16.06297 
1 1 1   22   13    4 o   16.947   7.0216   0.8278   2.9035   9.3019   7.5748  -0.6317   3.1436   33.515   11.979   15.620   6.8946 17.89520 13.82169 
1 1 1   22   13    5 o   58.351   5.0162   26.387   4.3217   17.120   12.352   27.680   4.6132   41.790   15.249   59.672   5.2381 -17.88246 16.12315 
1 1 1   22   13    6 o   24.142   8.4188   4.5469   3.7230  -1.5788   6.8509   7.1141   4.4351   21.769   9.8490   28.933   9.1666 -7.163961 13.45469 
1 1 1   22   13    7 o   40.180   5.1086   12.762   2.9913   26.832   6.8247   9.4166   3.3280   56.193   8.4038   33.663   6.8633 22.52972 10.85031 
1 1 1   22   13    8 o   29.639   7.6637   7.6145   3.4117   18.501   8.4011   5.4644   3.7335   42.302   12.471   25.296   8.4403 17.00591 15.05872 
1 1 1   22   13    9 o   42.197   6.2741   14.782   3.8272   23.080   6.7395   10.832   4.6497   50.082   9.3701   34.204   8.9970 15.87789 12.99014 
1 1 1   22   13   10 o   45.142   5.1049   16.505   3.3755   16.044   6.7457   16.659   3.8988   38.942   11.086   44.705   6.0007 -5.763031 12.60585 
1 1 1   22   13   11 o   15.065   6.9752  -1.5788   3.7113   1.7896   6.5370  -3.1809   4.5082   21.641   9.7211   15.412   7.3083 6.228754 12.16191 
1 1 1   22   14    0 o   14.216   9.9909  -8.1472   8.1810  -8.1472   8.1810  -8.1472   8.1810   14.216   9.9909   14.216   9.9909 0.000000 0.000000 
1 1 1   22   14    1 o   25.642   10.851   2.3815   7.1609 -13.7044   12.101   11.050   8.8833   23.416   11.329   35.594   12.940 -12.17805 17.19824 
1 1 1   22   14    2 o   24.149   11.038  -2.6376   8.8814  -4.7892   12.004  -0.0351   13.202   26.687   12.421   30.098   13.640 -3.411074 18.44745 
1 1 1   22   14    3 o   37.315   11.423   12.681   6.9506   22.815   8.0636 -16.6140   13.710   50.443   11.029   24.044   11.729 26.39905 16.10020 
1 1 1   22   14    4 o   13.401   5.6949   0.1956   1.9858   7.3282   7.1785  -0.3954   2.0664   30.173   11.500   12.733   5.6066 17.43950 12.79383 
1 1 1   22   14    5 o   47.466   4.8166   17.633   3.3615   19.990   7.3817   17.017   3.7757   46.522   10.843   46.249   5.5888 0.2733994 12.19821 
1 1 1   22   14    6 o   46.728   5.5360   17.465   3.7819   15.657   6.6675   18.322   4.5922   40.543   10.826   47.151   6.7225 -6.608036 12.74354 
1 1 1   22   14    7 o   11.872   5.6904  -3.5311   2.8898  -7.0599   7.9780  -2.9982   3.1003   19.528   9.3851   12.856   6.0859 6.671593 11.18564 
1 1 1   22   14    8 o   50.858   5.3318   20.903   3.9828   26.036   6.5325   17.866   5.0248   53.987   8.3878   45.143   7.7443 8.844269 11.41620 
1 1 1   22   14    9 o   48.429   4.6910   18.803   3.3447   9.6600   6.5485   22.031   3.8904   30.041   11.081   52.153   5.0672 -22.11191 12.18459 
1 1 1   22   14   10 f   25.099   7.7516   5.9161   3.1927   11.039   6.7617   4.4462   3.6219   30.605   11.264   22.264   8.2352 8.341007 13.95368 
1 1 1   22   15    0 o   29.212   15.222   10.758   8.6501   10.758   8.6501   10.758   8.6501   29.212   15.222   29.212   15.222 0.000000 0.000000 
1 1 1   22   15    1 o   22.499   9.5009   1.9784   5.4707  -3.1644   7.5122   7.7855   7.9828   21.435   9.9243   30.654   12.008 -9.218843 15.57809 
1 1 1   22   15    2 o   23.718   9.7272   3.1518   5.4976  -0.8093   7.5118   7.7204   8.0674   22.849   10.328   30.489   12.031 -7.639328 15.85585 
1 1 1   22   15    3 o   62.698   6.4299   31.891   5.9257   39.628   8.0868   22.920   8.7080   68.420   8.0834   48.203   12.127 20.21608 14.57407 
1 1 1   22   15    4 o   16.635   7.8606  -4.1771   5.1290  -0.6504   6.6239  -9.4573   8.1052   21.461   9.6994   18.888   9.1697 2.573111 13.34776 
1 1 1   22   15    5 o   22.599   7.1586   4.3043   2.7049   6.5913   6.9105   3.8905   2.9395   27.852   11.089   21.811   7.4877 6.040874 13.38037 
1 1 1   22   15    6 o   17.723   8.5332  -6.4117   6.6657  -7.7535   8.1903  -3.7793   11.472   19.247   9.3140   24.179   11.521 -4.932074 14.81470 
1 1 1   22   15    7 o   18.566   6.8711   2.5976   2.5221  -3.1933   6.3203   3.6943   2.7505   18.657   8.7885   20.984   7.2408 -2.326220 11.38713 
1 1 1   22   15    8 o   34.345   6.0770   10.058   2.9981   0.8714   6.2164   12.843   3.4224   20.846   9.4111   38.871   6.1065 -18.02548 11.21862 
1 1 1   22   15    9 o   33.287   6.5503   9.8203   3.1351   7.3221   6.2699   10.653   3.6202   26.125   10.507   34.012   7.3531 -7.886990 12.82452 
1 1 1   22   16    0 o   16.073   10.855  -2.1042   7.5898  -2.1042   7.5898  -2.1042   7.5898   16.073   10.855   16.073   10.855 0.000000 0.000000 
1 1 1   22   16    1 o   25.579   10.017   5.2573   5.5545  -2.1534   7.9118   12.460   7.8000   21.838   10.137   34.447   12.173 -12.60941 15.84077 
1 1 1   22   16    2 o   24.421   9.6965   4.5425   5.2706  -0.9712   7.2212   10.829   7.7104   21.638   9.9131   32.381   12.008 -10.74335 15.57115 
1 1 1   22   16    3 o   28.833   9.8731   7.8914   5.1098   3.6944   7.1297   12.324   7.3270   24.837   10.678   34.034   11.814 -9.196981 15.92439 
1 1 1   22   16    4 o   27.087   10.334   6.8134   5.8004  -4.2154   6.9403   32.363   10.563   19.088   9.0562   53.383   13.316 -34.29478 16.10393 
1 1 1   22   16    5 o   37.358   5.3578   11.457   2.8988   9.9831   8.8250   11.635   3.0691   30.133   12.337   37.451   5.6741 -7.318390 13.57948 
1 1 1   22   16    6 o   16.223   6.9577   0.7699   3.0137   9.7043   6.7257  -1.4746   3.3710   29.653   11.172   14.521   6.6967 15.13190 13.02502 
1 1 1   22   16    7 o   29.864   5.5146   7.5523   2.3650   6.7271   6.3545   7.6850   2.5481   25.734   10.495   29.861   5.9323 -4.126865 12.05545 
1 1 1   22   16    8 o   17.637   6.9482   2.2911   2.6866   4.2109   6.5334   1.9004   2.9473   22.775   10.000   17.329   7.1163 5.446451 12.27364 
1 1 1   22   17    0 o   18.523   12.010   1.6382   7.8781   1.6382   7.8781   1.6382   7.8781   18.523   12.010   18.523   12.010 0.000000 0.000000 
1 1 1   22   17    1 o   24.893   9.7219   5.5379   5.2208   4.3352   7.2552   6.8293   7.5184   24.716   10.699   26.991   11.251 -2.274809 15.52544 
1 1 1   22   17    2 o   29.390   10.455   9.0169   5.7626   14.917   7.0253  -3.1162   10.075   36.394   11.538   22.440   10.720 13.95445 15.74949 
1 1 1   22   17    3 o   31.987   11.476   11.758   6.9584   7.0093   8.8155   19.608   11.334   27.045   11.750   36.214   14.270 -9.169436 18.48474 
1 1 1   22   17    4 o   18.780   8.6971  -1.0681   5.7740   6.4052   8.9367  -6.4235   7.5651   26.251   11.604   18.236   8.8544 8.015501 14.59625 
1 1 1   22   17    5 o   25.478   9.7256   6.6471   5.1392   5.1280   6.7004   8.8175   8.0092   24.112   10.359   27.488   11.546 -3.375904 15.51134 
1 1 1   22   17    6 o   14.860   6.5819   0.1435   2.8893   11.610   6.6668  -2.5082   3.2060   30.359   11.183   13.008   6.1668 17.35096 12.77099 
1 1 1   22   17    7 o   34.822   6.6812   11.102   3.3426   12.613   6.5153   10.562   3.8941   30.893   11.103   32.484   8.0750 -1.590157 13.72876 
1 1 1   22   18    0 o   15.742   11.107  -7.8263   10.427  -7.8263   10.427  -7.8263   10.427   15.742   11.107   15.742   11.107 0.000000 0.000000 
1 1 1   22   18    1 o   22.827   10.037   3.9019   6.6023   5.9414   9.5570   2.0398   9.1317   25.299   11.519   23.017   10.753 2.282404 15.75795 
1 1 1   22   18    2 o   26.035   10.350   7.4880   6.0110   8.4293   9.2959   6.8117   7.8800   26.614   11.796   25.388   11.069 1.225969 16.17607 
1 1 1   22   18    3 o   16.473   7.8253  -2.7382   5.2130  -1.7917   7.3445  -3.6992   7.4006   19.468   9.2596   18.625   8.9733 0.8432102 12.89423 
1 1 1   22   18    4 o   20.800   9.0714   3.1172   5.2964  -3.3731   7.2292   10.638   7.7819   18.385   8.8604   27.847   11.513 -9.461882 14.52773 
1 1 1   22   18    5 o   16.341   7.7874  -2.4574   5.2461  -0.6073   6.8351  -5.1097   8.1838   19.077   9.0324   18.276   8.9466 0.8012047 12.71328 
1 1 1   22   19    0 o   17.213   11.507   0.7190   8.1425   0.7190   8.1425   0.7190   8.1425   17.213   11.507   17.213   11.507 0.000000 0.000000 
1 1 1   22   19    1 o   34.198   10.189   14.191   5.5847   12.271   7.8118   16.197   7.9872   28.164   11.578   31.872   12.134 -3.707483 16.77192 
1 1 1   22   19    2 o   27.125   9.9284   9.2293   5.2425   8.2306   7.2592   10.318   7.5793   24.727   10.703   26.347   11.158 -1.619570 15.46084 
1 1 1   22   19    3 o   15.956   7.6445  -2.4669   5.2026   0.0612   7.6742  -4.6169   7.0771   19.467   9.3158   17.011   8.3259 2.456249 12.49422 
1 1 1   23    1    0 o  107.520   4.7910   86.873   7.6458   86.873   7.6458   86.873   7.6458  107.520   4.7910  107.520   4.7910 0.000000 0.000000 
1 1 1   23    1    1 o   72.900   4.3573   39.926   4.7144   44.111   6.2069   34.220   7.2477   76.475   5.4799   66.956   7.3828 9.519241 9.194246 
1 1 1   23    1    2 f  149.959   2.4648  167.876   5.5109  168.053   6.6365  167.482   9.8911  149.992   2.9675  149.553   4.4359 0.4395294 5.336977 
1 1 1   23    1    3 o  148.326   2.3151  164.219   5.1199  158.259   6.3895  174.911   8.5579  145.552   2.9443  152.921   3.7535 -7.368637 4.770456 
1 1 1   23    1    4 o  188.719   2.1781  265.818   6.1287  262.958   8.0626  269.732   9.4323  187.617   2.8823  189.953   3.3304 -2.335342 4.404464 
1 1 1   23    1    5 o   70.408   3.3931   37.069   3.5619   33.434   4.5058   43.127   5.8161   66.630   4.5630   75.614   5.1904 -8.983414 6.910950 
1 1 1   23    1    6 o  108.849   2.6284   88.502   4.2656   84.224   5.5191   94.848   6.7222  106.105   3.4887  112.535   4.0064 -6.430832 5.312434 
1 1 1   23    1    7 o  106.653   2.6778   84.989   4.2581   80.531   5.6395   90.902   6.4943  103.719   3.6468  110.155   3.9542 -6.436264 5.379105 
1 1 1   23    1    8 o   83.921   3.1487   52.679   3.9398   56.486   5.3266   48.080   5.8542   86.798   4.1160   79.830   4.9428 6.968018 6.432130 
1 1 1   23    1    9 o  147.127   2.4541  161.722   5.3834  155.686   7.5109  168.099   7.7199  144.194   3.4936  149.839   3.4555 -5.645233 4.913843 
1 1 1   23    1   10 o  116.183   2.9106  100.969   5.0419  100.521   6.7430  101.538   7.5931  115.769   3.9065  116.262   4.3804 -0.4936981 5.869298 
1 1 1   23    1   11 o   28.775   8.3223   6.5217   3.7733   1.7096   5.4995   10.802   5.1867   23.632   9.7147   36.621   9.4396 -12.98877 13.54551 
1 1 1   23    1   12 o  135.509   2.8473  137.562   5.7528  145.796   8.1408  129.348   8.1305  139.202   3.9224  131.040   4.1614 8.162125 5.718626 
1 1 1   23    1   13 o   48.218   5.9290   18.070   4.1726   26.703   9.1619   15.811   4.6869   56.211   11.323   44.589   7.3029 11.62197 13.47397 
1 1 1   23    1   14 o   22.653   8.2651   3.5829   3.6290   1.3794   6.2140   4.7234   4.4705   23.626   10.058   25.393   9.1874 -1.767292 13.62237 
1 1 1   23    1   15 o   33.643   7.5169   9.4912   3.6756   12.114   5.4907   7.3617   4.9476   36.909   9.8096   29.314   9.7132 7.594976 13.80490 
1 1 1   23    1   16 o   47.248   5.4194   17.844   3.7487   21.881   5.2618   13.682   5.3421   51.240   7.0762   38.818   9.3429 12.42205 11.72017 
1 1 1   23    2    0 o  131.609   3.2896  129.508   6.4459  129.508   6.4459  129.508   6.4459  131.609   3.2896  131.609   3.2896 0.000000 0.000000 
1 1 1   23    2    1 o  182.790   2.1341  249.363   5.8161  259.576   8.0098  237.973   8.4590  186.409   2.8819  178.444   3.1794 7.965179 4.291169 
1 1 1   23    2    2 o  132.089   2.3078  130.244   4.5450  127.695   5.9189  133.908   7.0952  130.725   3.0367  133.810   3.5563 -3.084824 4.676466 
1 1 1   23    2    3 o  176.091   2.3391  231.492   6.1413  230.310   7.6082  233.703   10.404  175.572   2.9064  176.695   3.9491 -1.123123 4.903308 
1 1 1   23    2    4 o   86.793   2.8750   56.286   3.7204   49.031   4.5992   70.023   6.3282   80.936   3.8113   96.660   4.3910 -15.72321 5.814377 
1 1 1   23    2    5 o  169.555   2.5771  214.740   6.5150  204.203   9.8413  222.960   8.6925  165.116   3.9975  172.649   3.3768 -7.532547 5.232924 
1 1 1   23    2    6 o  189.581   2.3940  268.421   6.7668  256.794   9.5360  280.214   9.6037  185.247   3.4526  193.536   3.3282 -8.289063 4.795537 
1 1 1   23    2    7 o  160.744   2.3602  192.988   5.6566  192.481   7.5942  193.619   8.4778  160.410   3.1752  160.818   3.5357 -0.4077606 4.752219 
1 1 1   23    2    8 o   54.896   5.7300   22.970   4.6208   31.467   6.1500   11.954   7.0020   64.163   6.5193   38.735   11.376 25.42754 13.11132 
1 1 1   23    2    9 o  178.204   2.3764  237.260   6.3140  230.496   8.7651  244.555   9.1033  175.456   3.3506  180.721   3.3784 -5.265320 4.758187 
1 1 1   23    2   10 o   91.068   3.3298   62.129   4.5212   61.615   6.4592   62.622   6.3307   90.328   4.8134   91.098   4.6767 -0.7699432 6.711227 
1 1 1   23    2   11 o   81.997   3.6267   50.477   4.4338   41.631   7.9221   54.512   5.3502   73.338   7.3437   85.106   4.2164 -11.76738 8.468037 
1 1 1   23    2   12 o  160.973   2.4313  193.969   5.8354  195.962   9.2505  192.653   7.5204  161.300   3.8465  160.203   3.1485 1.097198 4.970730 
1 1 1   23    2   13 o   62.328   4.5880   29.693   4.2336   24.732   5.9455   34.795   6.0297   55.782   7.3258   66.884   6.1142 -11.10199 9.542060 
1 1 1   23    2   14 o   42.392   5.6222   14.171   3.4659   21.111   5.4895   9.5712   4.4693   50.948   7.4466   33.515   8.8231 17.43288 11.54550 
1 1 1   23    2   15 o   20.496   8.1464   2.4129   3.7237   5.9296   5.9421   0.1388   4.7784   27.435   10.461   19.563   8.5717 7.872459 13.52453 
1 1 1   23    2   16 o   62.025   3.8143   29.754   3.5102   29.030   5.4379   30.272   4.5960   59.534   6.2181   61.750   5.0358 -2.216488 8.001517 
1 1 1   23    3    0 o  139.827   3.1919  146.146   6.6467  146.146   6.6467  146.146   6.6467  139.827   3.1919  139.827   3.1919 0.000000 0.000000 
1 1 1   23    3    1 o  131.758   2.3429  129.614   4.6026  128.365   6.1563  131.196   6.9304  131.042   3.1510  132.435   3.5098 -1.393753 4.716720 
1 1 1   23    3    2 o  136.723   2.3216  139.568   4.7326  149.075   6.2961  127.219   7.1756  141.232   2.9900  130.383   3.6912 10.84904 4.750233 
1 1 1   23    3    3 o  154.327   2.6503  177.916   6.0982  172.471   6.7369  202.614   14.348  151.906   2.9745  164.036   5.8667 -12.12944 6.577652 
1 1 1   23    3    4 o   18.626   7.3221   1.5408   2.9776   1.7488   3.5909   1.0831   5.3271   20.258   8.0162   22.816   9.4868 -2.558390 12.42014 
1 1 1   23    3    5 o  140.898   2.5564  148.312   5.3705  141.489   7.2543  156.587   7.9886  137.485   3.5389  144.607   3.7052 -7.121536 5.123727 
1 1 1   23    3    6 o  178.742   2.6250  238.739   6.9956  218.772   10.686  253.713   9.2541  170.789   4.1966  184.120   3.3710 -13.33127 5.382910 
1 1 1   23    3    7 o  130.267   2.5503  126.807   4.9533  123.620   6.5749  130.989   7.5322  128.496   3.4319  132.202   3.8213 -3.706192 5.136166 
1 1 1   23    3    8 o   69.445   3.8083   36.261   3.9281   31.389   5.1907   42.790   6.0090   64.293   5.4668   75.151   5.3988 -10.85780 7.683300 
1 1 1   23    3    9 o  137.676   3.1265  141.894   6.4178  144.302   7.4756  135.146   12.515  138.742   3.6138  133.521   6.2866 5.221085 7.251246 
1 1 1   23    3   10 o   67.460   3.7840   34.274   3.7907   31.160   5.5552   36.987   5.1856   63.841   5.9030   69.828   5.0142 -5.986549 7.745141 
1 1 1   23    3   11 o   75.294   3.9442   42.786   4.4124   42.950   8.0443   42.715   5.2770   74.335   7.3547   75.028   4.7417 -0.6935196 8.750705 
1 1 1   23    3   12 o   31.308   7.5446   7.9346   3.4803   17.859   5.7030   2.0454   4.3932   46.990   8.4508   21.797   8.7851 25.19254 12.18992 
1 1 1   23    3   13 o   20.377   8.2032   1.9028   3.8258   3.5127   5.2543   0.0863   5.5814   24.625   9.7119   21.442   9.3326 3.183115 13.46915 
1 1 1   23    3   14 o   28.834   7.7483   7.0083   3.4024   2.7811   5.1323   10.323   4.5445   23.138   9.4333   34.567   8.7960 -11.42950 12.89789 
1 1 1   23    3   15 o   59.980   4.9173   28.285   4.3588   32.118   7.1945   26.063   5.4789   61.431   8.0485   56.387   6.6445 5.044518 10.43685 
1 1 1   23    3   16 o   41.507   5.4235   14.014   3.2761   10.557   5.2824   16.175   4.1763   32.849   9.9376   43.809   6.5985 -10.95998 11.92875 
1 1 1   23    4    0 o   76.726   4.1891   44.371   4.7596   44.371   4.7596   44.371   4.7596   76.726   4.1891   76.726   4.1891 0.000000 0.000000 
1 1 1   23    4    1 o   95.625   2.7150   68.325   3.8710   76.794   5.0743   56.535   5.9869  101.318   3.3591   86.672   4.6499 14.64546 5.736259 
1 1 1   23    4    2 o   62.944   3.8967   29.790   3.6390   31.403   4.0450   22.941   8.3346   64.586   4.2238   53.615   10.800 10.97071 11.59627 
1 1 1   23    4    3 o  152.313   2.5913  173.327   5.8847  172.391   7.2586  175.121   10.052  151.813   3.2068  152.782   4.4127 -0.9689789 5.454897 
1 1 1   23    4    4 o   56.384   4.6731   24.037   3.8931   24.881   4.4324   21.188   8.1435   57.269   5.2494   51.371   10.966 5.897980 12.15763 
1 1 1   23    4    5 f  110.205   2.6403   90.767   4.3383   93.352   5.5691   86.776   6.9190  111.680   3.3445  107.533   4.3155 4.147652 5.459838 
1 1 1   23    4    6 o   71.711   4.3778   38.753   4.6582   39.125   7.1641   38.481   6.1313   71.520   6.8001   71.164   5.8298 0.3565826 8.957059 
1 1 1   23    4    7 f  180.397   2.3202  243.122   6.2405  243.652   8.4045  242.469   9.3166  180.438   3.1240  179.918   3.4731 0.5201416 4.671348 
1 1 1   23    4    8 o  156.950   2.4512  184.106   5.7361  177.377   7.7490  192.263   8.5315  153.878   3.3775  160.160   3.5727 -6.281235 4.916512 
1 1 1   23    4    9 o   57.790   4.4633   25.281   3.8159   24.657   5.2049   26.006   5.6108   56.652   6.2671   58.109   6.5928 -1.457325 9.096229 
1 1 1   23    4   10 o   57.816   4.7607   25.410   4.0673   29.266   5.3563   20.159   6.2508   61.775   5.8867   50.300   8.6465 11.47433 10.46012 
1 1 1   23    4   11 o   19.919   8.0072   1.6389   3.6392   10.928   6.9060  -1.9324   4.2820   36.409   11.426   17.284   7.8062 19.12500 13.83821 
1 1 1   23    4   12 o   25.490   8.6937   4.9501   3.9618   5.9330   9.0092   4.7144   4.4112   31.354   12.600   25.505   9.1390 5.849241 15.56567 
1 1 1   23    4   13 o   90.306   3.3914   61.737   4.5663   56.551   6.3762   67.197   6.5426   85.523   5.0225   93.447   4.7110 -7.923981 6.886115 
1 1 1   23    4   14 o   26.048   8.1194   5.7401   3.4938   7.8181   4.9610   3.6952   4.9211   29.783   9.7195   23.756   9.3894 6.027510 13.51404 
1 1 1   23    4   15 f   52.611   4.8637   21.910   3.7720   12.764   6.1584   27.402   4.7718   36.088   10.688   58.386   5.5483 -22.29796 12.04224 
1 1 1   23    5    0 o   25.949   10.806   7.1449   4.1743   7.1449   4.1743   7.1449   4.1743   25.949   10.806   25.949   10.806 0.000000 0.000000 
1 1 1   23    5    1 o   55.629   3.8319   23.296   3.1588   18.372   4.0510   30.933   5.0455   49.061   5.6407   63.882   5.3464 -14.82128 7.771857 
1 1 1   23    5    2 o   18.283   7.2239   1.4355   2.9119   0.4743   3.4640   3.7506   5.3763   18.154   7.6074   26.034   9.9451 -7.879829 12.52106 
1 1 1   23    5    3 o   85.474   3.0954   54.653   3.9447   57.372   4.6996   48.171   7.2571   87.520   3.6015   79.610   6.1620 7.910805 7.137314 
1 1 1   23    5    4 o   79.078   3.2756   46.806   3.8620   46.829   4.4714   46.736   7.6630   79.044   3.7940   78.268   6.6289 0.7758713 7.637889 
1 1 1   23    5    5 f   80.744   3.1196   48.788   3.7556   46.854   4.6361   52.479   6.4052   79.040   3.9341   83.311   5.1823 -4.270973 6.506377 
1 1 1   23    5    6 o  115.194   2.6931   99.216   4.6254   95.164   5.9218  105.555   7.4072  112.699   3.5242  118.569   4.1900 -5.870193 5.475067 
1 1 1   23    5    7 f   55.899   4.3894   23.629   3.6288   22.064   4.6265   26.131   5.8500   53.698   5.8745   58.236   6.8697 -4.537811 9.038927 
1 1 1   23    5    8 o  156.782   2.3335  183.723   5.4548  191.784   7.9458  176.537   7.5018  159.968   3.3315  153.491   3.2780 6.477585 4.673780 
1 1 1   23    5    9 o   62.057   4.4146   29.163   4.0580   33.473   5.4521   23.810   6.0763   66.214   5.5744   55.170   7.5878 11.04319 9.415330 
1 1 1   23    5   10 o  118.254   2.9089  104.853   5.1288  101.415   9.4502  106.289   6.1064  115.448   5.4902  118.923   3.4439 -3.474342 6.480913 
1 1 1   23    5   11 o   36.759   6.3401   10.694   3.3492   9.6141   5.2261   11.446   4.3630   34.006   9.7825   37.490   8.0461 -3.484055 12.66634 
1 1 1   23    5   12 o   46.149   5.1317   16.556   3.4712   20.853   5.4327   13.592   4.5125   50.838   7.3832   40.727   7.7137 10.11087 10.67771 
1 1 1   23    5   13 o   32.804   6.9516   8.9104   3.2943   5.5060   5.0243   11.478   4.3631   26.511   9.7172   36.731   8.1772 -10.22008 12.70001 
1 1 1   23    5   14 o   47.882   5.1218   18.182   3.5998   22.126   5.3448   14.907   4.8700   51.502   7.1536   41.469   8.1671 10.03293 10.85707 
1 1 1   23    5   15 o   16.066   7.0053   0.2143   3.1573   3.6894   4.9333  -2.1965   4.1090   22.881   9.2787   15.729   7.3028 7.151494 11.80783 
1 1 1   23    6    0 o   27.494   9.7568   7.4883   3.6416   7.4883   3.6416   7.4883   3.6416   27.494   9.7568   27.494   9.7568 0.000000 0.000000 
1 1 1   23    6    1 o   21.487   7.0515   3.3743   2.6099   0.2559   3.2662   8.8820   4.3408   17.367   7.3379   33.419   8.6460 -16.05189 11.34015 
1 1 1   23    6    2 o  116.084   2.3948  100.683   4.1449  101.162   5.3203   99.943   6.6115  116.276   3.0689  115.453   3.8408 0.8227692 4.916276 
1 1 1   23    6    3 o   65.792   3.9349   32.582   3.8422   32.996   4.1605   30.183   10.016   66.159   4.2401   61.213   11.394 4.946140 12.15746 
1 1 1   23    6    4 o   70.400   4.0057   37.309   4.1872   35.282   4.9578   42.353   7.8201   68.288   4.9020   74.277   7.1497 -5.989090 8.668802 
1 1 1   23    6    5 o   42.046   5.3941   13.552   3.3036   15.581   4.0214   9.3407   5.7935   44.958   6.1614   34.398   10.407 10.55973 12.09451 
1 1 1   23    6    6 o  113.343   2.7109   96.085   4.5811   90.283   5.8392  105.375   7.3882  109.735   3.5689  118.427   4.1842 -8.691544 5.499550 
1 1 1   23    6    7 o   39.072   7.1928   12.011   4.0358   19.755   7.0758   8.2764   4.9134   49.514   9.9302   32.293   9.5422 17.22060 13.77179 
1 1 1   23    6    8 o   46.110   5.2038   16.283   3.5150   11.308   4.7103   22.535   5.2803   37.480   8.6101   53.924   6.7129 -16.44463 10.91775 
1 1 1   23    6    9 o  123.135   2.5269  113.513   4.6392  113.974   6.9337  113.139   6.2422  123.063   3.7789  122.718   3.4116 0.3445358 5.091103 
1 1 1   23    6   10 o   32.125   7.0140   8.2923   3.2653   4.1123   5.0042   11.392   4.3091   25.445   9.6246   37.483   7.9567 -12.03743 12.48768 
1 1 1   23    6   11 o   85.707   3.5234   55.501   4.5025   71.474   9.6113   51.010   5.0963   95.337   6.8063   81.840   4.1906 13.49736 7.992939 
1 1 1   23    6   12 o   67.855   3.9802   35.225   4.0092   37.660   5.6909   32.825   5.6491   69.350   5.5503   64.495   5.9415 4.855804 8.130574 
1 1 1   23    6   13 o   57.301   4.4004   25.501   3.7307   20.864   5.3167   29.998   5.2362   50.057   7.3418   61.302   5.7978 -11.24499 9.355010 
1 1 1   23    6   14 o   16.640   7.1938   0.3963   3.2719   7.9070   5.1304  -4.7527   4.2479   29.089   9.8933   14.355   6.8856 14.73420 12.05363 
1 1 1   23    6   15 o   51.717   4.7065   21.434   3.5894   22.718   5.5841   20.530   4.6856   50.575   7.6439   49.060   6.5708 1.515049 10.07991 
1 1 1   23    7    0 o   74.041   3.8183   41.291   4.1896   41.291   4.1896   41.291   4.1896   74.041   3.8183   74.041   3.8183 0.000000 0.000000 
1 1 1   23    7    1 o   29.356   5.8178   6.7377   2.4564   4.4089   3.0883   10.748   4.0526   24.164   7.6486   36.874   7.6232 -12.70989 10.79879 
1 1 1   23    7    2 o   59.529   3.5452   26.653   3.1324   24.004   3.7614   32.650   5.6580   56.320   4.5173   65.446   5.8605 -9.126030 7.399414 
1 1 1   23    7    3 o   60.383   4.5536   27.580   4.0695   27.907   4.4266   25.794   10.341   60.666   4.9367   55.891   12.698 4.774960 13.62425 
1 1 1   23    7    4 o   52.567   4.8987   20.997   3.7952   22.074   3.9964   11.101   12.114   53.882   5.0329   40.142   15.019 13.74006 15.83948 
1 1 1   23    7    5 o   95.914   2.8592   68.847   4.0888   71.253   5.1229   64.623   6.7869   97.479   3.5248   92.445   4.9419 5.033531 6.070105 
1 1 1   23    7    6 o   15.344   6.6492  -0.3161   2.8084  -3.5733   3.8132   3.5448   4.1516   14.840   6.9380   23.813   8.8151 -8.972992 11.21793 
1 1 1   23    7    7 o   24.686   7.6825   4.6914   3.1293   5.0108   4.1838   4.2857   4.7145   26.182   8.9340   25.625   9.4097 0.5567799 12.97529 
1 1 1   23    7    8 o   63.434   4.0055   30.436   3.7689   28.034   4.8823   33.978   5.9291   60.488   5.4728   66.450   6.0508 -5.961632 8.158657 
1 1 1   23    7    9 o  129.061   2.4479  124.778   4.7103  119.917   7.1438  128.517   6.2652  126.093   3.7999  130.752   3.2138 -4.659035 4.976691 
1 1 1   23    7   10 o   53.457   4.8536   21.984   3.8263   14.612   6.3090   26.273   4.8123   41.330   10.281   58.186   5.6169 -16.85526 11.71499 
1 1 1   23    7   11 o   18.541   7.4175   1.6461   3.1066   2.8926   4.8194   0.7600   4.0635   23.050   9.2326   19.210   8.1543 3.840483 12.31805 
1 1 1   23    7   12 f   70.278   3.9287   37.925   4.1002   46.764   5.9588   29.977   5.6505   77.237   5.2049   61.068   6.2962 16.16873 8.169012 
1 1 1   23    7   13 o   73.448   3.8049   41.604   4.1524   41.321   6.4681   41.803   5.4158   71.334   6.1413   72.733   5.0250 -1.399170 7.935110 
1 1 1   23    7   14 o   13.580   6.3117  -1.9293   3.0824   3.7772   4.7370  -6.1199   4.0594   22.676   9.1283   13.032   6.3630 9.643144 11.12712 
1 1 1   23    8    0 o   87.057   3.6160   56.923   4.6752   56.923   4.6752   56.923   4.6752   87.057   3.6160   87.057   3.6160 0.000000 0.000000 
1 1 1   23    8    1 o   32.304   6.3216   8.1859   2.9358   8.1780   2.9794   8.4472   17.211   32.270   6.4184   41.776   17.181 -9.506721 18.34098 
1 1 1   23    8    2 o   47.365   3.7912   16.944   2.6549   16.469   3.1958   18.002   4.7694   46.536   4.6689   48.165   6.8331 -1.628395 8.275825 
1 1 1   23    8    3 o   28.185   5.8122   6.2329   2.3613   6.4465   3.1493   5.9587   3.5687   28.502   7.3599   27.575   8.1278 0.9268227 10.96491 
1 1 1   23    8    4 f   76.302   3.0522   43.609   3.4723   43.952   4.4020   43.042   5.6494   76.395   3.8774   75.330   5.0592 1.064507 6.374169 
1 1 1   23    8    5 o   47.822   4.1490   17.335   2.9289   16.183   4.0753   18.565   4.2124   45.743   6.1295   49.114   5.8687 -3.370487 8.486032 
1 1 1   23    8    6 o   31.973   6.9480   8.1286   3.2175   8.1499   4.2933   8.1012   4.8596   31.818   8.7687   31.824   9.5100 -0.5970001E-02 12.93565 
1 1 1   23    8    7 o   66.021   3.5974   32.880   3.5278   36.165   5.2991   30.265   4.7278   68.823   5.2025   62.963   5.0794 5.860447 7.270970 
1 1 1   23    8    8 o   69.988   4.6684   37.325   4.8435   22.669   7.3203   48.738   6.4596   52.483   9.7127   79.710   5.4684 -27.22712 11.14629 
1 1 1   23    8    9 o   55.838   4.1593   23.773   3.4379   27.335   5.0294   20.649   4.7101   59.317   5.7593   51.277   6.2930 8.040291 8.530592 
1 1 1   23    8   10 o   33.044   8.2320   9.1712   4.0407   6.0972   5.2386   13.686   6.3490   27.891   9.9629   39.353   10.588 -11.46286 14.53867 
1 1 1   23    8   11 o   22.594   7.6233   4.0497   3.0459   3.3958   4.5770   4.5694   4.0807   23.087   9.0774   24.316   8.7808 -1.228832 12.62938 
1 1 1   23    8   12 o   56.489   5.3652   25.408   4.4645   23.205   6.9823   26.931   5.8065   50.661   9.5951   56.965   6.9827 -6.303974 11.86693 
1 1 1   23    8   13 o   55.538   4.2719   24.213   3.5103   23.680   5.0078   24.728   4.9220   53.288   6.4331   54.716   6.1392 -1.428295 8.892346 
1 1 1   23    8   14 o   18.475   7.5526   2.0638   3.3010  -2.3467   4.5480   6.9742   4.7989   16.148   7.5581   26.579   9.5312 -10.43101 12.16425 
1 1 1   23    9    0 o   18.720   12.346  -1.4185   8.8547  -1.4185   8.8547  -1.4185   8.8547   18.720   12.346   18.720   12.346 0.000000 0.000000 
1 1 1   23    9    1 o   70.773   2.1468   37.432   2.2653   39.023   3.5036   36.289   2.9696   72.146   3.2571   69.618   2.8609 2.528175 4.335117 
1 1 1   23    9    2 o   36.296   4.4153   10.067   2.3401   13.653   2.8678   2.9192   4.0484   42.307   4.6216   22.670   8.6372 19.63687 9.795891 
1 1 1   23    9    3 o   67.964   2.6841   34.576   2.7199   34.019   3.7563   35.190   3.9437   67.180   3.7653   68.304   3.8885 -1.124886 5.412801 
1 1 1   23    9    4 o   79.020   3.4361   46.881   4.0483   53.708   4.4192   11.250   10.096   84.566   3.5049   38.439   13.820 46.12704 14.25789 
1 1 1   23    9    5 o  106.479   2.7696   84.949   4.3970   85.132   5.4015   84.590   7.5702  106.457   3.4030  105.721   4.8026 0.7356033 5.886029 
1 1 1   23    9    6 o   67.137   3.6720   34.036   3.6617   39.502   4.7687   26.184   5.7159   72.132   4.4559   57.946   6.7419 14.18545 8.081346 
1 1 1   23    9    7 o   55.270   3.9903   23.199   3.2662   23.469   4.7737   22.961   4.4785   55.000   5.9143   54.508   5.5897 0.4912529 8.137788 
1 1 1   23    9    8 o   24.476   8.1301   4.6314   3.4655  -2.0603   6.4203   7.3826   4.1167   21.230   9.5761   29.921   8.7041 -8.691013 12.94077 
1 1 1   23    9    9 o   59.364   3.8169   26.869   3.3604   28.919   5.0566   25.247   4.4972   60.820   5.6404   56.925   5.3618 3.895134 7.782282 
1 1 1   23    9   10 o   84.324   3.3220   53.964   4.1766   56.638   5.6121   50.645   6.2528   85.711   4.4065   80.491   5.2388 5.220955 6.845552 
1 1 1   23    9   11 o   42.002   5.4137   14.121   3.3114   17.459   4.7880   11.061   4.5846   45.598   7.2880   35.235   8.7633 10.36353 11.39783 
1 1 1   23    9   12 o   22.792   7.9573   4.3546   3.3265   6.5580   6.5215   3.5797   3.8675   27.348   10.809   21.878   8.4165 5.470158 13.69930 
1 1 1   23    9   13 o   24.712   7.5859   5.5272   3.0629   2.2259   4.7169   7.9342   4.0276   20.570   8.7600   28.819   8.6681 -8.248959 12.32375 
1 1 1   23   10    0 o   29.160   15.266   9.7840   8.7302   9.7840   8.7302   9.7840   8.7302   29.160   15.266   29.160   15.266 0.000000 0.000000 
1 1 1   23   10    1 o   52.444   2.5063   20.586   1.9597   11.846   8.6324   21.061   2.0123   38.328   12.834   53.042   2.5444 -14.71413 13.08383 
1 1 1   23   10    2 f   24.592   6.0919   4.7963   2.2221   16.836   7.9117   3.7652   2.3153   44.727   11.722   22.005   6.5616 22.72223 13.43353 
1 1 1   23   10    3 o   46.921   4.4388   16.778   3.0684   14.632   8.2710   17.120   3.3042   41.616   12.400   47.330   4.7464 -5.713146 13.27751 
1 1 1   23   10    4 o   59.145   3.3773   26.383   2.9659   27.566   3.8097   24.562   4.7254   60.257   4.2681   56.459   5.6912 3.798313 7.113772 
1 1 1   23   10    5 f   41.046   4.9441   12.984   2.9648   13.751   3.8202   11.821   4.7015   41.848   6.3195   38.032   8.5045 3.815617 10.59540 
1 1 1   23   10    6 o   60.333   3.4441   27.523   3.0853   31.982   4.5191   23.631   4.2225   64.667   4.7196   55.390   5.1728 9.277313 7.002331 
1 1 1   23   10    7 o   22.739   7.4423   4.0002   2.9079   4.4718   4.2807   3.5961   3.9625   24.878   8.9919   23.135   8.6025 1.742378 12.44418 
1 1 1   23   10    8 o   39.712   5.6618   12.469   3.2574   10.728   5.1588   13.623   4.2007   35.205   9.5749   40.897   7.1494 -5.692081 11.94962 
1 1 1   23   10    9 o   44.208   4.8008   15.279   3.1135   13.786   4.7720   16.387   4.1085   40.252   8.2291   45.091   6.2818 -4.838604 10.35272 
1 1 1   23   10   10 o   20.162   7.2502   3.0532   2.7786   3.7659   4.1306   2.4642   3.7553   22.793   8.7148   20.442   8.1633 2.351389 11.94097 
1 1 1   23   10   11 o   87.673   3.2922   58.837   4.3036   55.016   8.4328   60.182   5.0043   80.869   7.0648   88.287   3.8017 -7.418175 8.022706 
1 1 1   23   10   12 o   16.792   7.2715   0.6200   3.3540   11.162   6.3754  -3.4144   3.9439   32.208   11.028   14.338   6.8097 17.86977 12.96120 
1 1 1   23   11    0 o   15.513   10.744  -6.5006   8.5453  -6.5006   8.5453  -6.5006   8.5453   15.513   10.744   15.513   10.744 0.000000 0.000000 
1 1 1   23   11    1 o   52.079   8.6012   21.865   6.4456   19.450   8.6877   24.823   9.6133   47.470   12.206   53.695   12.275 -6.225319 17.31134 
1 1 1   23   11    2 o   10.724   4.7801  -0.5804   1.5481   15.188   8.2109  -1.1617   1.5764   41.957   12.318   9.9900   4.5970 31.96713 13.14749 
1 1 1   23   11    3 o   52.756   4.5406   21.267   3.5367   16.313   7.9856   22.475   3.9447   43.382   11.960   54.126   4.9427 -10.74371 12.94132 
1 1 1   23   11    4 o   39.803   6.5370   12.566   3.7447   4.3114   7.3046   15.508   4.3615   28.211   11.343   44.198   6.8394 -15.98716 13.24525 
1 1 1   23   11    5 o   27.334   10.326   5.1290   5.7562   4.6201   7.2007   6.0299   9.5806   28.220   11.292   31.745   12.909 -3.524803 17.15104 
1 1 1   23   11    6 o   33.707   6.8756   9.2324   3.3383   14.594   7.2024   7.7653   3.7675   40.425   11.437   30.527   8.1316 9.897715 14.03286 
1 1 1   23   11    7 o   18.366   7.6041   1.1589   3.4018   2.6249   10.756   0.9960   3.5858   29.237   12.834   18.515   7.7480 10.72222 14.99155 
1 1 1   23   11    8 o   39.519   6.1858   12.645   3.5253   7.1263   8.6264   13.751   3.8625   30.388   12.288   41.068   6.5264 -10.68036 13.91385 
1 1 1   23   11    9 o   37.177   6.1123   11.324   3.2703   3.1948   6.2194   14.431   3.8447   24.219   10.173   41.918   6.3506 -17.69906 11.99289 
1 1 1   23   11   10 o   42.091   5.5974   14.423   3.4256   15.571   7.2448   14.092   3.8877   38.601   11.629   40.966   6.5884 -2.364651 13.36564 
1 1 1   23   11   11 f   29.241   7.5214   7.7105   3.2978   11.404   6.6208   6.4916   3.8031   32.394   11.231   26.394   8.5019 5.999985 14.08589 
1 1 1   23   11   12 o   28.634   7.7581   7.7294   3.3944   9.4159   7.3015   7.2644   3.8340   28.446   11.375   27.211   8.5094 1.235462 14.20530 
1 1 1   23   12    0 o   51.777   14.417   25.233   9.6285   25.233   9.6285   25.233   9.6285   51.777   14.417   51.777   14.417 0.000000 0.000000 
1 1 1   23   12    1 o   16.392   7.9684  -9.6265   6.1745 -10.6220   8.2401  -8.3518   9.3242   19.597   9.4483   22.255   10.541 -2.658588 14.15560 
1 1 1   23   12    2 o   75.903   6.1483   44.921   6.8982   46.730   9.1428   42.531   10.511   76.181   8.1774   71.246   10.185 4.934845 13.06116 
1 1 1   23   12    3 o   26.048   5.3626   5.3986   2.0133   16.464   7.7223   4.5916   2.0854   42.983   11.725   23.898   5.8905 19.08526 13.12140 
1 1 1   23   12    4 o   20.697   7.8292   2.7104   3.3116  -1.4054   7.3613   3.7547   3.7079   22.979   10.319   22.981   8.3592 -0.2714157E-02 13.28030 
1 1 1   23   12    5 o   39.060   7.3491   12.537   4.1229   13.472   10.830   12.379   4.4586   38.038   14.207   38.485   8.0300 -0.4462318 16.31897 
1 1 1   23   12    6 o   43.498   6.4239   15.288   4.0408   8.6415   7.2382   18.297   4.8704   31.635   11.653   47.256   7.1348 -15.62128 13.66362 
1 1 1   23   12    7 o   15.270   6.7464  -0.4313   3.0172 -17.6140   6.4802   4.3249   3.4093   13.799   6.9443   23.234   8.0589 -9.435400 10.63813 
1 1 1   23   12    8 o   41.064   5.4096   13.562   3.2314   12.190   6.4777   14.016   3.7284   35.171   11.071   41.272   6.2550 -6.100967 12.71576 
1 1 1   23   12    9 o   39.057   7.2761   13.187   4.0812   16.889   6.5086   10.788   5.2391   41.311   10.534   33.351   9.8530 7.959583 14.42407 
1 1 1   23   12   10 o   31.838   6.9756   8.9175   3.2198   6.8469   6.6411   9.5538   3.6814   26.831   10.806   32.441   7.7223 -5.609879 13.28152 
1 1 1   23   12   11 f   39.115   7.7586   14.157   4.3649   13.749   6.8138   14.441   5.6845   33.968   11.402   36.874   10.060 -2.906490 15.20570 
1 1 1   23   13    0 o   34.296   15.619   13.933   8.6623   13.933   8.6623   13.933   8.6623   34.296   15.619   34.296   15.619 0.000000 0.000000 
1 1 1   23   13    1 o   26.472   10.493   4.4430   6.1625   0.3787   8.4908   8.9671   8.9582   25.561   11.304   33.239   12.803 -7.678148 17.07929 
1 1 1   23   13    2 o   26.972   10.583   4.9083   6.2098   5.1067   8.2721   4.6521   9.3995   29.005   11.918   29.572   12.469 -0.5662956 17.24843 
1 1 1   23   13    3 f   37.396   12.450   13.148   8.1248   42.547   14.313  -0.8297   9.8690   64.447   15.151   26.094   11.812 38.35255 19.21128 
1 1 1   23   13    4 o   48.388   5.0295   18.352   3.5756   9.0702   12.343   19.202   3.7357   33.893   14.289   49.453   5.1417 -15.56026 15.18635 
1 1 1   23   13    5 o   25.914   8.1601   5.6976   3.5189   9.9564   6.8140   4.1487   4.1092   32.710   11.390   23.516   8.7572 9.194389 14.36768 
1 1 1   23   13    6 o   55.295   4.9293   24.111   4.0213   24.700   7.4117   23.866   4.7871   52.003   9.9212   54.305   6.0134 -2.302044 11.60133 
1 1 1   23   13    7 o   15.490   6.6415   0.4022   2.7446  -6.5893   6.5179   1.9091   3.0260   17.541   8.4434   18.290   7.3194 -0.7493248 11.17428 
1 1 1   23   13    8 o   31.745   6.8269   8.7122   3.1352   12.338   6.7529   7.7158   3.5399   34.038   11.351   29.187   7.9287 4.851017 13.84595 
1 1 1   23   13    9 o   26.011   8.5900   6.3972   3.8707   3.7151   6.7705   7.6995   4.7178   23.722   10.302   27.862   9.4870 -4.139887 14.00472 
1 1 1   23   13   10 o   56.000   4.4118   25.217   3.6538   13.594   6.9022   29.742   4.3067   33.420   11.474   60.422   4.8207 -27.00285 12.44534 
1 1 1   23   14    0 o   17.704   12.308  -7.6471   11.496  -7.6471   11.496  -7.6471   11.496   17.704   12.308   17.704   12.308 0.000000 0.000000 
1 1 1   23   14    1 o   20.181   9.2800  -2.4199   6.4093  -7.4432   7.6417   9.4961   11.770   19.308   9.2545   33.354   14.002 -14.04595 16.78404 
1 1 1   23   14    2 o   24.789   10.015   3.9886   5.7247   4.0143   7.5754   3.9544   8.7412   26.512   11.187   27.428   11.808 -0.9152660 16.26591 
1 1 1   23   14    3 o   16.735   7.9259  -4.5168   5.2702 -10.5476   6.5964   6.1271   8.7633   16.199   7.9511   28.938   12.111 -12.73861 14.48804 
1 1 1   23   14    4 o   20.874   5.6964   3.5957   1.8223   5.1445   6.8605   3.4781   1.8902   26.546   10.874   20.536   5.8761 6.010151 12.36032 
1 1 1   23   14    5 o   31.133   6.8386   8.2821   3.0876   9.3095   8.6901   8.1336   3.3031   30.839   12.382   30.575   7.3390 0.2641106 14.39322 
1 1 1   23   14    6 o   27.044   10.362   6.7037   5.8479  -0.7481   6.7769   28.431   11.572   20.977   9.6078   47.157   14.789 -26.18034 17.63632 
1 1 1   23   14    7 o   17.643   6.9355   2.0227   2.6714   4.6568   6.7124   1.5270   2.9119   24.763   10.494   17.223   7.0733 7.539387 12.65532 
1 1 1   23   14    8 o   24.923   8.5075   5.8956   3.7939   5.4454   6.3535   6.1451   4.7297   24.761   10.333   25.217   9.3942 -0.4565868 13.96529 
1 1 1   23   14    9 o   44.954   5.1298   16.788   3.3767   19.170   6.9581   16.054   3.8619   40.632   11.149   42.981   6.2062 -2.349003 12.75981 
1 1 1   23   15    0 o   14.304   10.011  -6.4703   7.9627  -6.4703   7.9627  -6.4703   7.9627   14.304   10.011   14.304   10.011 0.000000 0.000000 
1 1 1   23   15    1 o   27.271   10.030   6.7079   5.3597   0.3941   7.2733   14.210   7.9284   22.598   10.193   36.282   12.299 -13.68398 15.97375 
1 1 1   23   15    2 f   35.555   10.004   12.259   5.5268   17.832   7.5100   5.6742   8.1630   41.326   11.674   27.236   11.559 14.09011 16.42830 
1 1 1   23   15    3 o   28.379   10.683   7.7014   6.1477   6.6200   7.7118   9.5868   10.183   27.617   11.443   30.658   12.955 -3.040482 17.28519 
1 1 1   23   15    4 o   31.816   11.596   10.929   7.1402   15.475   9.3163   4.4571   11.116   35.594   13.199   27.241   12.411 8.352642 18.11792 
1 1 1   23   15    5 o   51.987   4.1015   21.300   3.1534   15.610   6.9896   22.753   3.5334   37.611   11.443   53.473   4.4729 -15.86157 12.28613 
1 1 1   23   15    6 o   16.030   6.9915   0.4472   3.1468  -1.9926   6.7043   1.1366   3.5637   19.457   9.1293   17.600   7.5576 1.857199 11.85168 
1 1 1   23   15    7 o   28.908   8.2193   8.1340   3.7104   7.0541   6.4638   8.6647   4.5314   25.916   10.579   28.895   9.2774 -2.978865 14.07042 
1 1 1   23   15    8 o   29.723   6.7388   8.0855   2.9176   9.5879   6.2100   7.6600   3.3050   28.047   10.695   28.104   7.6723 -0.5680084E-01 13.16196 
1 1 1   23   16    0 o   30.124   16.567   13.441   10.754   13.441   10.754   13.441   10.754   30.124   16.567   30.124   16.567 0.000000 0.000000 
1 1 1   23   16    1 f   33.067   11.148   12.070   6.5136   12.840   9.5751   11.406   8.8866   32.013   12.946   30.967   12.490 1.045923 17.98884 
1 1 1   23   16    2 o   31.321   11.643   11.277   7.2576   16.625   9.7834   4.7333   10.823   35.114   13.415   26.393   12.108 8.720562 18.07139 
1 1 1   23   16    3 o   30.485   10.236   9.8973   5.4911   15.629   7.5535   3.4735   7.9966   36.063   12.004   24.051   10.781 12.01160 16.13497 
1 1 1   23   16    4 o   16.640   7.8209  -2.4087   4.9566  -4.4011   6.9548  -0.3521   7.0659   18.317   8.7923   20.604   9.5694 -2.287254 12.99534 
1 1 1   23   16    5 o   14.496   7.0885  -6.4465   5.0942  -0.6588   6.6910 -14.4279   7.8574   19.768   9.2246   15.709   7.8695 4.058726 12.12533 
1 1 1   23   16    6 o   48.239   4.8495   19.230   3.4407   2.5723   6.8991   24.745   3.9696   21.624   9.8233   54.683   4.9216 -33.05831 10.98719 
1 1 1   23   16    7 o   30.799   7.6896   9.3511   3.5203   6.2702   6.7964   10.481   4.1153   23.791   10.327   31.704   8.5224 -7.912977 13.38915 
1 1 1   23   17    0 f   15.153   10.406  -2.8149   7.6191  -2.8149   7.6191  -2.8149   7.6191   15.153   10.406   15.153   10.406 0.000000 0.000000 
1 1 1   23   17    1 o   24.764   9.7900   6.3304   5.3512   15.536   7.6774  -2.3669   7.4626   34.162   12.076   19.477   9.2835 14.68418 15.23208 
1 1 1   23   17    2 o   15.937   7.6489  -3.8796   5.2591  -0.5100   7.1626  -7.8214   7.7468   20.063   9.4207   17.431   8.5681 2.631578 12.73431 
1 1 1   23   17    3 o   13.778   6.7978  -7.4584   5.0301 -10.0715   6.8567  -4.4133   7.4017   15.498   7.6976   18.240   8.8333 -2.741878 11.71665 
1 1 1   23   17    4 o   23.254   9.4774   5.5958   5.1779   13.881   7.2238  -3.1591   7.4256   31.574   11.640   18.588   8.9637 12.98649 14.69115 
1 1 1   23   17    5 o   36.885   9.7499   15.470   5.4432   20.757   7.3857   9.1845   8.0532   39.275   11.721   25.682   11.193 13.59323 16.20742 
1 1 1   23   18    0 o   20.017   12.332   5.1349   7.1792   5.1349   7.1792   5.1349   7.1792   20.017   12.332   20.017   12.332 0.000000 0.000000 
1 1 1   23   18    1 o   41.646   9.0364   18.647   5.4497   21.675   7.6831   15.580   7.7312   39.024   12.020   31.424   11.945 7.599991 16.94576 
1 1 1   23   18    2 o   17.466   8.2160  -0.6043   5.4888  -3.6828   7.6963   2.5821   7.8301   18.017   8.7891   20.938   9.8373 -2.920067 13.19171 
1 1 1   24    1    0 o   33.825   12.722   11.638   5.9997   11.638   5.9997   11.638   5.9997   33.825   12.722   33.825   12.722 0.000000 0.000000 
1 1 1   24    1    1 o   79.696   3.3909   47.496   4.0292   51.619   4.8537   38.357   7.2262   83.040   3.9203   70.950   6.9191 12.08956 7.952496 
1 1 1   24    1    2 o  133.797   2.4997  133.684   4.9866  137.901   6.7745  128.698   7.3671  135.798   3.3459  131.135   3.7680 4.663406 5.039099 
1 1 1   24    1    3 o  164.594   2.3627  202.285   5.7981  195.583   7.1489  215.166   9.9118  161.771   2.9639  169.517   3.9216 -7.745972 4.915701 
1 1 1   24    1    4 o   21.687   8.3411   2.4290   3.7979  -2.5364   5.1210   8.4981   5.6617   18.944   8.5480   33.246   10.331 -14.30262 13.40920 
1 1 1   24    1    5 o  126.435   2.9168  119.496   5.4985  114.488   6.6214  130.622   9.8690  123.671   3.5910  131.840   5.0206 -8.169327 6.172635 
1 1 1   24    1    6 o   98.629   2.8861   72.723   4.2440   69.968   5.3921   77.209   6.8803   96.650   3.7418  101.413   4.5503 -4.763405 5.891264 
1 1 1   24    1    7 o  144.213   2.4320  155.373   5.2293  150.926   7.0065  160.964   7.8570  142.006   3.3092  146.600   3.5946 -4.594162 4.885920 
1 1 1   24    1    8 o   59.794   4.7589   27.049   4.2075   29.638   6.2767   24.936   5.6701   62.132   6.8916   56.950   6.8129 5.182503 9.690727 
1 1 1   24    1    9 o  173.971   2.5368  226.236   6.5802  213.646   8.4687  245.417   10.453  168.890   3.3631  180.873   3.8761 -11.98302 5.131723 
1 1 1   24    1   10 o   25.784   8.8109   4.7950   4.0694   9.5843   6.8158   2.1422   5.0727   35.060   11.390   23.390   9.4355 11.67005 14.79062 
1 1 1   24    1   11 o   74.454   3.8213   41.796   4.2277   42.013   6.2862   41.616   5.7125   74.131   5.7320   73.936   5.2155 0.1943970 7.749641 
1 1 1   24    1   12 o   42.052   6.1795   13.840   3.7589   12.860   5.8209   14.541   4.9230   39.300   9.9302   42.475   8.0688 -3.175167 12.79508 
1 1 1   24    1   13 o   44.903   6.2769   15.936   4.0875   17.682   7.3621   15.159   4.9145   44.993   11.054   43.074   7.9451 1.919689 13.61305 
1 1 1   24    1   14 o   49.735   5.0017   19.300   3.6586   14.146   5.6691   22.979   4.7896   40.191   9.5935   53.764   6.0820 -13.57288 11.35900 
1 1 1   24    1   15 o   44.287   5.6992   15.754   3.6759   17.301   5.1440   14.139   5.2548   45.016   7.9551   39.861   9.0487 5.155506 12.04834 
1 1 1   24    1   16 o   28.029   7.7269   6.9940   3.3332   8.0312   4.9817   6.1532   4.4850   29.073   9.7495   26.147   9.2314 2.925938 13.42652 
1 1 1   24    2    0 o  182.985   3.0752  250.108   8.3846  250.108   8.3846  250.108   8.3846  182.985   3.0752  182.985   3.0752 0.000000 0.000000 
1 1 1   24    2    1 o  102.470   2.6739   78.444   4.0852   75.943   5.4824   81.565   6.1257  100.730   3.6504  104.358   3.9369 -3.628098 5.368887 
1 1 1   24    2    2 f  145.085   2.2944  157.175   4.9631  151.766   6.4070  165.291   7.8481  142.483   3.0159  148.618   3.5418 -6.135101 4.651878 
1 1 1   24    2    3 o   83.202   3.4026   51.797   4.2210   53.571   5.1380   48.112   7.4030   84.549   4.0758   79.600   6.2890 4.949135 7.494223 
1 1 1   24    2    4 o   66.450   3.9894   33.209   3.9343   29.020   4.5439   45.752   7.8631   61.945   4.9615   77.444   6.8814 -15.49895 8.483561 
1 1 1   24    2    5 o   78.944   3.9453   46.712   4.6438   48.525   6.6829   45.018   6.4575   80.047   5.6355   77.081   5.6584 2.966080 7.986016 
1 1 1   24    2    6 o  134.066   2.9247  134.412   5.8461  130.785   8.8446  137.227   7.7906  131.964   4.4953  135.305   3.8618 -3.341415 5.926275 
1 1 1   24    2    7 o  157.546   2.4573  185.468   5.7721  180.562   7.7253  191.667   8.6848  155.297   3.3364  159.936   3.6420 -4.638855 4.939222 
1 1 1   24    2    8 o   69.928   4.2474   36.857   4.4074   39.257   5.2355   31.019   8.1656   72.049   4.9029   62.905   8.9594 9.143097 10.21325 
1 1 1   24    2    9 o  103.689   3.4027   80.580   5.2605   74.246   6.3002   95.164   9.5599   99.381   4.2518  111.990   5.7447 -12.60876 7.147017 
1 1 1   24    2   10 o   94.616   3.4901   67.187   4.9235   62.022   6.2361   75.734   8.0221   90.561   4.6340   99.847   5.4088 -9.286095 7.122493 
1 1 1   24    2   11 o   90.898   3.4161   62.097   4.6297   63.689   6.9776   60.844   6.1880   91.455   5.1379   89.553   4.6505 1.901512 6.930039 
1 1 1   24    2   12 o   21.087   8.1243   2.5432   3.6077   4.3076   6.3253   1.6926   4.3921   27.125   10.669   21.254   8.7029 5.871277 13.76853 
1 1 1   24    2   13 o   65.309   3.9477   32.543   3.8259   29.458   5.7749   34.955   5.1077   60.972   6.4504   67.171   5.1390 -6.199791 8.247263 
1 1 1   24    2   14 o   78.236   3.6594   46.676   4.2686   42.596   6.1214   50.538   5.9554   73.442   5.6333   80.506   4.9860 -7.064842 7.522895 
1 1 1   24    2   15 o   29.548   8.1483   7.7255   3.7059   8.6093   5.2130   6.8225   5.2694   30.410   9.9652   27.722   9.9827 2.688450 14.10527 
1 1 1   24    3    0 o  115.293   3.8327   99.613   6.5718   99.613   6.5718   99.613   6.5718  115.293   3.8327  115.293   3.8327 0.000000 0.000000 
1 1 1   24    3    1 o   84.993   3.2217   54.039   4.0826   59.106   5.3623   47.052   6.2971   88.800   4.0501   78.887   5.3861 9.913177 6.738955 
1 1 1   24    3    2 o   54.744   4.3334   22.622   3.5081   22.132   4.2654   23.645   6.1670   53.964   5.3728   55.268   7.6925 -1.304264 9.383028 
1 1 1   24    3    3 o  104.604   3.6680   81.954   5.7207   81.954   5.7207   0.0000   0.0000  104.604   3.6680  ?   ?  0.000000 3.668001 
1 1 1   24    3    4 o   26.842   7.6147   5.6274   3.1883   9.9036   3.7207  -6.1907   6.1854   35.489   7.2760   18.626   8.7489 16.86242 11.37908 
1 1 1   24    3    5 o  165.882   2.3498  205.562   5.8117  200.573   7.5558  212.790   9.0944  163.731   3.0951  168.532   3.6193 -4.801132 4.762248 
1 1 1   24    3    6 o  138.413   2.5381  143.186   5.2379  141.162   6.7974  146.144   8.2181  137.307   3.3203  139.583   3.9488 -2.275955 5.159233 
1 1 1   24    3    7 o   54.767   5.1131   22.793   4.1269   23.132   5.7037   22.421   5.9786   54.687   7.1678   53.682   7.6892 1.004257 10.51201 
1 1 1   24    3    8 o   38.594   6.7966   11.651   3.7681   7.7807   4.8009   17.860   6.0807   31.456   9.4644   47.387   8.9341 -15.93127 13.01509 
1 1 1   24    3    9 f  199.122   2.3861  296.471   7.0839  285.604   9.6927  308.931   10.379  195.162   3.3310  202.940   3.4301 -7.778168 4.781345 
1 1 1   24    3   10 o  125.155   2.7631  117.346   5.1561  126.029   7.4135  109.210   7.1759  129.408   3.8423  120.417   3.9968 8.990334 5.544208 
1 1 1   24    3   11 o   81.034   3.3729   49.411   4.0751   52.995   6.4070   46.976   5.2810   83.246   5.1878   78.597   4.5256 4.648338 6.884412 
1 1 1   24    3   12 o   65.356   4.2469   32.607   4.1159   36.972   7.4223   30.669   4.9461   68.040   7.4376   62.957   5.3190 5.083065 9.143848 
1 1 1   24    3   13 o   12.216   5.9384  -5.4850   3.4300  -3.2999   4.6932  -7.9903   5.0252   16.677   7.7634   14.612   7.1221 2.065698 10.53541 
1 1 1   24    3   14 o   39.845   6.6865   13.120   3.8316   13.825   4.9220   12.036   6.1041   39.757   8.5569   35.703   10.656 4.053902 13.66637 
1 1 1   24    3   15 o   21.616   8.0540   3.6361   3.4768   6.3288   6.2533   2.4312   4.1829   26.976   10.609   20.635   8.4763 6.341862 13.57936 
1 1 1   24    4    0 o   25.941   10.634   7.0958   4.0594   7.0958   4.0594   7.0958   4.0594   25.941   10.634   25.941   10.634 0.000000 0.000000 
1 1 1   24    4    1 o   36.662   5.7407   10.376   3.0350   13.745   3.8919   5.1465   4.8484   42.170   6.3901   27.310   9.6026 14.85975 11.53443 
1 1 1   24    4    2 o  174.982   2.2243  228.680   5.8030  234.306   7.6381  221.000   8.9248  177.008   2.8941  171.788   3.4845 5.219803 4.529633 
1 1 1   24    4    3 o   80.445   3.2492   48.439   3.8972   45.944   4.5872   54.913   7.3882   78.172   3.9485   85.072   5.8606 -6.899849 7.066617 
1 1 1   24    4    4 o  135.473   2.5780  137.178   5.2073  136.769   6.3830  137.992   9.0041  135.180   3.1669  135.521   4.4562 -0.3405762 5.466894 
1 1 1   24    4    5 o   19.811   7.7148   1.9075   3.2804  -0.2023   3.8944   7.0610   6.0865   18.311   7.8824   31.231   10.771 -12.91943 13.34755 
1 1 1   24    4    6 o  112.770   3.9884   95.449   6.7060   93.053   14.600   96.090   7.5494  109.502   9.0231  113.048   4.4790 -3.546783 10.07357 
1 1 1   24    4    7 o  128.014   2.7697  122.601   5.2864  119.037   6.6871  128.539   8.6321  125.995   3.5597  130.719   4.4290 -4.724182 5.682232 
1 1 1   24    4    8 o   43.888   5.6506   14.825   3.6117   13.184   4.7817   17.004   5.5108   40.688   8.1662   46.310   8.2854 -5.622562 11.63336 
1 1 1   24    4    9 o   52.252   4.8605   20.820   3.7432   16.256   5.0803   26.240   5.5364   45.281   7.8070   58.247   6.4852 -12.96653 10.14922 
1 1 1   24    4   10 o   76.864   3.3955   44.432   3.8913   49.979   6.0354   40.485   5.0908   80.955   5.0251   72.934   4.7066 8.021126 6.884994 
1 1 1   24    4   11 o   37.963   7.2277   11.621   3.9416   2.6439   8.8736   13.828   4.3995   28.384   12.049   41.430   7.3934 -13.04604 14.13687 
1 1 1   24    4   12 o   53.538   4.5543   22.104   3.6009   20.258   5.6751   23.347   4.6588   49.621   7.9383   54.475   5.8263 -4.853603 9.846940 
1 1 1   24    4   13 o   88.678   3.4744   59.864   4.5937   59.619   6.3116   60.141   6.6986   87.517   4.8561   87.674   5.1470 -0.1566620 7.076243 
1 1 1   24    4   14 o   62.859   3.8368   30.527   3.5787   29.714   5.5091   31.121   4.7071   60.346   6.2117   62.654   5.0827 -2.307976 8.026152 
1 1 1   24    4   15 o   30.544   7.7386   8.4283   3.5283   15.377   6.4817   5.5019   4.2061   38.461   10.838   24.754   8.9183 13.70699 14.03585 
1 1 1   24    5    0 o   39.525   7.6722   12.965   4.0319   12.965   4.0319   12.965   4.0319   39.525   7.6722   39.525   7.6722 0.000000 0.000000 
1 1 1   24    5    1 o   84.709   2.8462   53.669   3.5947   53.791   4.7335   53.503   5.5251   84.703   3.7481   84.272   4.4126 0.4313049 5.789615 
1 1 1   24    5    2 o   79.463   2.9992   47.247   3.5534   47.739   4.4419   46.371   5.9220   79.796   3.7335   78.291   5.1011 1.505043 6.321423 
1 1 1   24    5    3 o   45.548   5.5085   15.881   3.6649   15.522   3.9550   18.063   9.7486   44.899   6.0630   46.812   13.327 -1.913445 14.64152 
1 1 1   24    5    4 o   45.643   5.3526   15.928   3.5734   15.321   4.0955   17.864   7.3145   44.527   6.3487   46.949   10.689 -2.422306 12.43217 
1 1 1   24    5    5 o  157.406   2.6651  185.292   6.2546  180.621   8.5588  190.645   9.1626  155.182   3.6991  159.389   3.8556 -4.206467 5.343157 
1 1 1   24    5    6 o   71.552   3.7323   38.522   3.9679   34.855   4.9209   45.337   6.7084   67.820   4.8995   77.138   5.8770 -9.318031 7.651441 
1 1 1   24    5    7 o  114.341   2.8260   97.875   4.8178   93.413   6.2357  104.482   7.5886  111.527   3.7501  117.808   4.3203 -6.280876 5.720853 
1 1 1   24    5    8 o   67.899   3.7437   34.765   3.7753   31.087   5.1451   39.056   5.5568   63.777   5.4635   71.602   5.2415 -7.824306 7.571251 
1 1 1   24    5    9 o  151.191   2.6254  171.269   5.9182  177.970   8.1474  163.784   8.6109  153.799   3.5530  147.396   3.9183 6.402679 5.289297 
1 1 1   24    5   10 o   56.472   4.2141   24.290   3.5226   18.583   5.2792   28.871   4.7295   48.170   7.6028   61.258   5.2282 -13.08829 9.226963 
1 1 1   24    5   11 f   69.643   3.7589   36.878   3.8886   38.133   7.1206   36.345   4.6420   69.205   6.9970   68.826   4.5492 0.3795090 8.345897 
1 1 1   24    5   12 o   14.391   6.5539  -1.5043   3.0955  -6.9329   4.7107   2.6214   4.1067   14.431   7.0024   21.482   8.5498 -7.050512 11.05138 
1 1 1   24    5   13 o   38.884   7.5633   12.885   4.2270   8.5497   6.2426   16.555   5.7441   30.493   10.878   42.966   9.2410 -12.47276 14.27298 
1 1 1   24    5   14 o   20.463   7.6917   3.1491   3.1846  -1.5339   4.6938   7.1437   4.3351   17.408   7.9816   27.783   9.0866 -10.37523 12.09431 
1 1 1   24    6    0 o   86.765   3.7655   56.572   4.8503   56.572   4.8503   56.572   4.8503   86.765   3.7655   86.765   3.7655 0.000000 0.000000 
1 1 1   24    6    1 o   58.993   3.5072   26.177   3.0709   32.842   4.0411   17.067   4.7245   65.998   4.1275   46.867   6.9735 19.13103 8.103412 
1 1 1   24    6    2 o   21.351   7.2674   3.2339   2.7684   1.2156   3.2448   8.6336   5.3073   18.639   7.5367   33.073   9.9511 -14.43370 12.48303 
1 1 1   24    6    3 o  186.203   2.2424  259.067   6.2255  254.881   8.0274  265.383   9.8614  184.546   2.9174  188.145   3.5154 -3.598907 4.568314 
1 1 1   24    6    4 o  152.035   3.0116  173.060   6.8268  168.481   8.3266  182.449   11.924  149.839   3.7271  155.467   5.1440 -5.627090 6.352303 
1 1 1   24    6    5 o   76.051   3.4887   43.381   3.9558   40.667   4.7518   49.510   7.1400   73.381   4.3627   80.560   5.9872 -7.178551 7.408099 
1 1 1   24    6    6 o   47.457   5.2792   17.246   3.6721   18.958   4.4913   13.795   6.3775   49.543   6.2172   41.044   10.407 8.499172 12.12254 
1 1 1   24    6    7 o   97.082   3.2915   70.734   4.7643   70.004   8.5075   71.068   5.7507   95.666   5.9947   97.163   3.9696 -1.496674 7.189918 
1 1 1   24    6    8 o   57.483   4.1124   25.060   3.5013   30.958   5.1050   19.822   4.8113   63.539   5.4413   50.397   6.5584 13.14212 8.521765 
1 1 1   24    6    9 o   85.287   3.0803   54.686   3.9169   62.253   5.9440   48.878   5.2075   90.601   4.4002   80.177   4.3727 10.42420 6.203425 
1 1 1   24    6   10 o   63.545   3.9929   30.764   3.7638   21.187   6.3662   35.910   4.6668   50.600   8.7555   68.440   4.6001 -17.84017 9.890340 
1 1 1   24    6   11 o   62.628   3.7510   29.952   3.4864   28.564   5.3911   30.950   4.5708   59.995   6.1122   63.148   4.8930 -3.152424 7.829453 
1 1 1   24    6   12 o   77.690   3.2985   45.929   3.8208   41.454   5.7915   49.377   5.0842   72.414   5.4030   79.897   4.2836 -7.482681 6.894998 
1 1 1   24    6   13 o   53.803   4.4914   22.751   3.5700   19.178   5.0966   26.194   5.0023   47.315   7.4727   56.645   6.0150 -9.330898 9.592737 
1 1 1   24    6   14 o   75.752   3.4244   44.294   3.8676   37.255   5.8969   49.608   5.1236   67.002   5.9652   79.238   4.3535 -12.23607 7.384918 
1 1 1   24    7    0 o   40.943   7.1677   13.687   3.9743   13.687   3.9743   13.687   3.9743   40.943   7.1677   40.943   7.1677 0.000000 0.000000 
1 1 1   24    7    1 o   19.066   6.9626   2.2795   2.5762   1.6141   3.3238   3.2805   4.0769   19.391   7.7000   23.312   8.7145 -3.920769 11.62894 
1 1 1   24    7    2 o   55.293   4.2180   23.125   3.4511   24.158   4.2211   21.042   5.9936   56.344   5.0792   51.751   8.0278 4.592552 9.499692 
1 1 1   24    7    3 o  126.536   2.5196  119.754   4.7535  122.612   5.8337  114.106   8.2000  127.938   3.0582  123.085   4.4683 4.853142 5.414623 
1 1 1   24    7    4 o   78.693   3.5160   46.475   4.1253   44.433   4.6224   54.467   9.1448   76.756   4.0534   83.946   7.3815 -7.189323 8.421200 
1 1 1   24    7    5 o   45.542   5.0948   15.884   3.4002   17.774   4.1343   11.931   5.9775   48.002   5.9008   38.170   10.276 9.832649 11.84937 
1 1 1   24    7    6 o   73.756   3.2890   40.841   3.6168   40.363   4.9990   41.367   5.2394   72.933   4.6210   73.791   4.7881 -0.8582306 6.654273 
1 1 1   24    7    7 o   92.830   2.8191   64.626   3.9019   64.730   5.6879   64.535   5.3626   92.591   4.1201   92.515   3.8877 0.7572174E-01 5.664778 
1 1 1   24    7    8 o   77.892   3.2182   45.651   3.7375   48.097   5.4066   43.412   5.1725   79.452   4.5834   75.458   4.6198 3.994591 6.507711 
1 1 1   24    7    9 o   68.645   3.4811   35.690   3.5511   41.426   5.3547   31.188   4.7446   73.409   4.9209   63.602   5.0447 9.806740 7.047282 
1 1 1   24    7   10 o   17.435   7.3214   0.7554   3.2194   0.0657   5.4558   1.1238   3.9876   20.941   9.1678   19.454   8.1577 1.486910 12.27178 
1 1 1   24    7   11 o   36.814   5.9982   10.982   3.1790   14.761   4.8337   8.1006   4.2201   41.587   8.0868   30.384   8.8052 11.20295 11.95522 
1 1 1   24    7   12 o   86.282   3.8972   57.400   5.0135   61.683   6.9691   52.807   7.2178   88.049   5.3338   80.735   6.0399 7.314072 8.057874 
1 1 1   24    7   13 o   25.038   8.0191   5.6318   3.3871   0.7952   5.5779   8.4571   4.2631   20.518   9.1137   29.912   8.9002 -9.393061 12.73866 
1 1 1   24    8    0 o   14.981   10.471  -8.1947   8.6367  -8.1947   8.6367  -8.1947   8.6367   14.981   10.471   14.981   10.471 0.000000 0.000000 
1 1 1   24    8    1 o   86.544   3.3315   56.188   4.2989   43.301   9.4083   59.588   4.8329   74.212   8.6660   89.071   3.6391 -14.85880 9.399133 
1 1 1   24    8    2 o  125.285   3.0463  117.645   5.6903  104.193   10.351  123.472   6.8121  116.879   5.9594  128.223   3.5632 -11.34417 6.943413 
1 1 1   24    8    3 o   44.499   3.9695   15.018   2.6060   16.162   3.5082   13.608   3.8925   45.903   5.2186   41.748   6.4623 4.155521 8.306335 
1 1 1   24    8    4 o   66.135   3.3741   32.931   3.3160   31.019   4.2538   35.892   5.2942   63.937   4.4907   68.597   5.2155 -4.660091 6.882393 
1 1 1   24    8    5 o   74.005   3.6397   41.213   4.0160   39.937   4.8686   43.931   7.1043   72.531   4.5246   75.435   6.3762 -2.904579 7.818456 
1 1 1   24    8    6 o   19.150   7.4062   1.9643   3.0071   1.9466   4.2783   1.9815   4.2275   21.480   8.6652   21.437   8.6256 0.4347610E-01 12.22646 
1 1 1   24    8    7 o   51.690   4.2353   20.380   3.2354   20.740   4.7134   20.059   4.4492   51.471   6.2715   50.709   6.0011 0.7616119 8.680156 
1 1 1   24    8    8 o  105.358   3.0211   83.607   4.7457   90.331   6.3472   75.083   7.1465  109.141   3.9005   99.053   4.8390 10.08815 6.215299 
1 1 1   24    8    9 o   35.979   7.3687   10.698   3.8199   7.3192   5.7804   13.317   5.0895   29.743   10.482   39.488   8.8621 -9.744795 13.72648 
1 1 1   24    8   10 o   65.209   3.7159   32.572   3.5978   36.620   5.2693   29.036   4.9243   68.291   5.2145   60.591   5.5111 7.699886 7.587070 
1 1 1   24    8   11 o   32.704   6.5725   8.9635   3.0936   12.051   4.7500   6.6890   4.0768   36.609   8.8091   27.454   8.7983 9.155333 12.45026 
1 1 1   24    8   12 o   19.599   8.2879   1.6915   4.1723  -5.6888   6.3364   7.3408   5.5438   17.506   8.4005   27.840   10.207 -10.33317 13.21912 
1 1 1   24    8   13 o   20.350   7.6688   3.3448   3.1697   4.0737   4.8857   2.8150   4.1652   22.642   9.2146   20.493   8.4429 2.149487 12.49760 
1 1 1   24    9    0 o   88.888   3.1164   59.261   4.1187   59.261   4.1187   59.261   4.1187   88.888   3.1164   88.888   3.1164 0.000000 0.000000 
1 1 1   24    9    1 o   17.676   5.6798   2.3286   1.6981   3.6261   2.4983   1.2142   2.3153   21.796   6.8771   16.359   6.4484 5.436840 9.427412 
1 1 1   24    9    2 o   95.174   2.6387   67.857   3.7444   56.028   9.3794   70.100   4.0839   84.740   7.5011   96.698   2.8326 -11.95752 8.018126 
1 1 1   24    9    3 o   87.445   2.3957   57.247   3.1235   63.675   4.4003   50.720   4.4344   92.069   3.2055   82.085   3.6233 9.984016 4.837723 
1 1 1   24    9    4 o   20.992   7.6683   2.8907   3.1252   5.4126   3.2570 -26.3862   11.097   26.093   7.7830   19.152   9.5576 6.940737 12.32566 
1 1 1   24    9    5 o   79.739   3.1262   47.811   3.7167   48.706   4.8757   46.569   5.7425   80.137   4.0944   78.043   4.9609 2.094154 6.432247 
1 1 1   24    9    6 f   14.541   6.5999  -1.5726   3.1056  -0.5750   3.8960  -3.3110   5.1434   17.567   7.7175   17.902   8.2615 -0.3348217 11.30537 
1 1 1   24    9    7 o   16.194   6.8825   0.3193   2.9008   1.8835   4.3145  -0.9712   3.9188   21.149   8.6389   17.112   7.6177 4.037678 11.51785 
1 1 1   24    9    8 o   99.963   3.9634   76.194   5.9072   0.0000   0.0000   76.194   5.9072  ?   ?    99.963   3.9634 0.000000 3.963409 
1 1 1   24    9    9 o   23.737   7.4189   4.6628   2.9147   6.4546   4.2286   3.0409   4.0231   27.454   8.9740   21.814   8.5301 5.639870 12.38126 
1 1 1   24    9   10 o   44.601   5.3216   15.919   3.4689   16.983   4.6431   14.575   5.2187   44.905   7.1765   40.300   8.9211 4.604805 11.44935 
1 1 1   24    9   11 o   13.133   6.1221  -2.0593   2.9352  -0.8898   4.3736  -3.0176   3.9592   17.343   7.8559   14.799   6.9663 2.544162 10.49974 
1 1 1   24    9   12 o   43.702   6.4710   16.350   4.0890   12.322   6.7668   18.666   5.1319   33.064   11.360   45.427   7.8614 -12.36313 13.81499 
1 1 1   24   10    0 o   77.485   8.7011   47.405   9.7266   47.405   9.7266   47.405   9.7266   77.485   8.7011   77.485   8.7011 0.000000 0.000000 
1 1 1   24   10    1 o   12.654   5.1972   0.4313   1.5722  -5.4090   8.1811   0.6553   1.6021   22.218   10.311   13.226   5.3140 8.992273 11.60021 
1 1 1   24   10    2 o   63.926   2.9108   30.692   2.7744   29.321   8.5477   30.854   2.9332   59.555   9.9793   64.067   3.0706 -4.511982 10.44106 
1 1 1   24   10    3 o   53.403   2.8116   21.475   2.2308   19.988   3.0564   23.170   3.2632   51.241   4.0332   55.204   3.9916 -3.962532 5.674442 
1 1 1   24   10    4 o   29.900   6.2091   7.1577   2.6774   10.090   3.3536   2.0033   4.4464   35.519   6.5747   21.667   8.8010 13.85268 10.98558 
1 1 1   24   10    5 o   46.668   4.3411   16.715   2.9860   15.423   3.7496   18.956   4.9368   44.311   5.8160   48.680   7.0034 -4.369850 9.103482 
1 1 1   24   10    6 o   46.867   4.1612   16.867   2.8775   21.745   4.1630   12.404   3.9818   52.784   5.3642   39.024   7.1053 13.75983 8.902818 
1 1 1   24   10    7 o   13.366   6.1826  -2.0298   2.9053  -4.7442   4.5207  -0.1199   3.7922   15.294   7.2716   17.541   7.6621 -2.246488 10.56330 
1 1 1   24   10    8 o   23.513   7.2416   4.5923   2.7887   3.8781   4.1888   5.1609   3.7372   23.171   8.7957   24.952   8.4440 -1.781462 12.19287 
1 1 1   24   10    9 o   36.328   5.6230   10.719   2.9473   13.034   4.4205   8.8658   3.9544   38.701   7.9275   31.570   8.2936 7.130955 11.47300 
1 1 1   24   10   10 f   30.171   6.7618   7.8368   2.9665   9.7031   4.3821   6.2581   4.0303   32.262   8.8457   26.245   8.7695 6.016397 12.45592 
1 1 1   24   10   11 o   13.165   6.1226  -1.7895   2.9080  -1.9311   4.2133  -1.6606   4.0186   15.904   7.3876   15.747   7.2794 0.1571589 10.37143 
1 1 1   24   10   12 o   19.503   7.6977   2.9532   3.3033   10.758   6.7738   0.5179   3.7838   29.799   11.214   17.009   7.5328 12.79027 13.50958 
1 1 1   24   11    0 o   23.937   14.212   5.6215   8.8306   5.6215   8.8306   5.6215   8.8306   23.937   14.212   23.937   14.212 0.000000 0.000000 
1 1 1   24   11    1 o   45.045   9.7045   17.181   6.3253   23.336   8.5151   9.6048   9.4480   51.654   11.365   34.846   13.214 16.80769 17.42923 
1 1 1   24   11    2 o   58.129   2.4156   25.356   2.0936   12.980   8.7457   26.109   2.1563   38.203   12.917   58.979   2.4521 -20.77562 13.14807 
1 1 1   24   11    3 o   13.512   6.2572  -2.2248   2.9885  -2.3138   7.8851  -2.2099   3.2294   23.165   10.515   14.194   6.5490 8.970462 12.38747 
1 1 1   24   11    4 o   24.938   7.1301   5.0872   2.7842   19.553   7.3641   2.6746   3.0074   47.018   10.740   20.121   7.4920 26.89639 13.09505 
1 1 1   24   11    5 f   65.110   6.1458   33.623   5.8957   37.988   7.8115   27.845   8.9870   68.007   7.8480   55.510   11.244 12.49626 13.71194 
1 1 1   24   11    6 o   65.120   5.1703   33.240   4.9786   2.2897   12.748   38.810   5.4081   29.838   13.473   70.378   5.1905 -40.54027 14.43836 
1 1 1   24   11    7 o   70.116   4.7486   38.451   4.9350   39.827   10.012   38.010   5.6720   65.816   10.559   69.126   5.5501 -3.310844 11.92922 
1 1 1   24   11    8 o   20.846   7.6214   3.3341   3.0879   10.464   6.7261   1.4300   3.4759   32.403   11.315   18.385   7.6554 14.01824 13.66130 
1 1 1   24   11    9 o   18.166   7.5133   1.6182   3.3159   3.4901   6.5509   0.9734   3.8449   23.975   10.270   18.223   7.8383 5.752029 12.91909 
1 1 1   24   11   10 o   48.940   4.8498   19.351   3.4922   28.322   7.4277   16.805   3.9569   53.952   9.5849   44.607   6.1101 9.345467 11.36681 
1 1 1   24   11   11 o   21.450   7.8804   4.1206   3.3072   5.4130   6.6691   3.6991   3.8085   24.266   10.377   21.010   8.2740 3.256281 13.27187 
1 1 1   24   12    0 o   16.558   11.248  -3.4733   8.3907  -3.4733   8.3907  -3.4733   8.3907   16.558   11.248   16.558   11.248 0.000000 0.000000 
1 1 1   24   12    1 o   22.455   9.7687   0.6327   6.1094   4.7429   8.3450  -4.1149   8.9687   28.664   11.892   23.267   10.798 5.397085 16.06293 
1 1 1   24   12    2 o   53.075   8.2406   23.511   6.3097   19.151   8.1062   30.214   10.050   45.263   11.867   56.947   12.204 -11.68415 17.02207 
1 1 1   24   12    3 o   69.737   2.5189   36.624   2.6191   36.117   8.6776   36.675   2.7472   64.926   9.2235   69.750   2.6416 -4.823914 9.594362 
1 1 1   24   12    4 o   20.027   7.0042   3.0271   2.5779   11.132   11.706   2.6140   2.6427   34.805   14.225   19.262   7.0493 15.54298 15.87575 
1 1 1   24   12    5 o   17.419   7.4639   0.5472   3.4627  -6.1426   7.3750   2.4390   3.9219   19.412   9.2459   20.696   8.3148 -1.283422 12.43473 
1 1 1   24   12    6 o   11.935   5.8801  -7.0383   3.7200  -7.1252   8.4664  -7.0175   4.1412   20.218   9.7041   12.923   6.3342 7.295527 11.58841 
1 1 1   24   12    7 o   17.276   7.0573   1.4620   2.8796   2.6937   6.4490   1.1553   3.2183   23.427   10.114   17.454   7.3243 5.972675 12.48734 
1 1 1   24   12    8 o   16.873   7.6149  -0.6265   4.0662   9.1942   6.7050  -6.3391   5.1139   29.755   11.165   15.006   7.2846 14.74935 13.33158 
1 1 1   24   12    9 o   34.592   7.8620   11.050   3.9629   19.045   6.8471   7.0222   4.8595   42.166   10.833   26.576   9.5844 15.59025 14.46452 
1 1 1   24   12   10 o   14.451   6.6434  -1.0885   3.2815  -3.5801   6.4552  -0.2203   3.8107   17.845   8.5406   16.277   7.3564 1.568417 11.27205 
1 1 1   24   13    0 o   26.134   14.616   8.4716   8.5293   8.4716   8.5293   8.4716   8.5293   26.134   14.616   26.134   14.616 0.000000 0.000000 
1 1 1   24   13    1 o   22.818   10.084   0.7074   6.7467   3.2427   12.082  -0.4413   8.1328   29.271   13.176   23.670   10.718 5.600729 16.98495 
1 1 1   24   13    2 o   32.110   12.581   9.6222   8.7639   6.5939   11.638   13.588   13.319   30.789   13.437   35.809   14.954 -5.019981 20.10434 
1 1 1   24   13    3 o   49.759   11.136   23.844   8.0556   23.844   8.0556   0.0000   0.0000   49.759   11.136  ?   ?  0.000000 11.13599 
1 1 1   24   13    4 o   20.129   6.3836   3.3198   2.1505  -7.4415   8.6834   4.0229   2.2196   20.265   9.7527   21.911   6.3963 -1.645132 11.66306 
1 1 1   24   13    5 o   19.745   7.5891   2.7387   3.1428   1.1536   7.0053   3.1381   3.5165   22.744   10.151   20.825   8.0216 1.919052 12.93769 
1 1 1   24   13    6 o   29.153   7.9141   7.7159   3.5282   7.3215   6.9787   7.8514   4.0894   27.804   11.119   28.935   8.7414 -1.131243 14.14400 
1 1 1   24   13    7 o   47.638   4.4984   18.123   3.1572   20.051   6.8831   17.609   3.5531   44.037   10.609   46.429   5.2233 -2.392910 11.82517 
1 1 1   24   13    8 o   18.602   7.3514   2.4765   3.0164  -2.8561   6.3150   4.0528   3.4333   18.321   8.6766   21.560   8.0094 -3.239328 11.80825 
1 1 1   24   13    9 f   20.081   8.1797   3.1626   3.8544  -2.9268   6.3861   6.6522   4.8343   17.953   8.5656   25.126   9.4705 -7.173141 12.76943 
1 1 1   24   14    0 o   19.625   13.070  -0.2119   10.329  -0.2119   10.329  -0.2119   10.329   19.625   13.070   19.625   13.070 0.000000 0.000000 
1 1 1   24   14    1 o   24.885   10.810   3.4267   7.4606   17.932   10.707 -10.2604   10.401   37.962   14.136   20.894   10.198 17.06800 17.43070 
1 1 1   24   14    2 o   24.028   10.588   2.5577   7.3847   3.9216   9.7272   0.7022   11.346   26.638   11.919   25.915   12.066 0.7228565 16.96064 
1 1 1   24   14    3 o   21.318   9.4806   1.0154   6.0543  -7.2633   9.1574   7.4441   8.0696   20.400   9.8660   28.254   11.706 -7.854305 15.30912 
1 1 1   24   14    4 o   23.085   4.9762   4.4008   1.6623   0.5063   6.7290   4.6539   1.7155   21.498   9.7405   23.743   5.0038 -2.244602 10.95062 
1 1 1   24   14    5 o   10.713   5.2273  -4.3031   2.7266 -12.0416   6.3279  -2.5387   3.0215   14.651   7.2961   12.795   6.0421 1.855944 9.473100 
1 1 1   24   14    6 o   19.531   8.7001   0.9957   5.1197  -2.0026   6.9536   4.5451   7.5657   19.615   9.2332   24.396   10.735 -4.781212 14.15974 
1 1 1   24   14    7 o   19.787   7.9493   3.0076   3.5845  -5.3212   6.3961   6.8211   4.3280   16.945   8.2074   25.810   9.0727 -8.865091 12.23420 
1 1 1   24   14    8 o   24.618   7.6957   5.9524   3.1361   6.1963   6.6770   5.8834   3.5524   24.129   10.353   24.143   8.2323 -0.1359367E-01 13.22668 
1 1 1   24   15    0 o   18.706   12.006   2.2808   7.6118   2.2808   7.6118   2.2808   7.6118   18.706   12.006   18.706   12.006 0.000000 0.000000 
1 1 1   24   15    1 o   44.661   8.8533   18.951   5.6869   17.383   8.1432   20.443   7.9454   37.754   12.459   42.085   12.049 -4.331863 17.33215 
1 1 1   24   15    2 o   17.094   8.0034  -2.2957   5.1066  -4.6164   7.1629   0.1029   7.2821   18.663   8.9492   21.346   9.8437 -2.683105 13.30360 
1 1 1   24   15    3 o   16.662   7.8551  -2.7277   5.0677  -0.5901   6.9855  -5.1027   7.3632   20.474   9.5109   18.558   8.9436 1.915554 13.05545 
1 1 1   24   15    4 o   19.319   8.5699   1.2086   4.9168   0.0481   6.7250   2.5414   7.2067   20.392   9.4233   22.450   10.134 -2.057892 13.83846 
1 1 1   24   15    5 o   20.123   7.0629   3.5778   2.6223  -2.7347   6.8770   4.6518   2.8367   18.701   8.9130   22.375   7.3519 -3.674070 11.55387 
1 1 1   24   15    6 o   18.442   7.5228   2.4831   3.2661  -2.1146   6.9461   3.7880   3.7007   18.757   8.9446   20.678   8.1520 -1.921328 12.10216 
1 1 1   24   15    7 o   16.125   7.2578   0.3429   3.6648   2.6809   6.6591  -0.6729   4.3893   20.840   9.5374   16.302   7.5611 4.538456 12.17095 
1 1 1   24   16    0 o   11.380   8.2203 -11.3316   7.2017 -11.3316   7.2017 -11.3316   7.2017   11.380   8.2203   11.380   8.2203 0.000000 0.000000 
1 1 1   24   16    1 o   15.778   7.5767  -3.9202   5.1762  -7.1145   7.7121  -1.3016   6.9826   17.632   8.6429   19.446   9.1834 -1.813440 12.61087 
1 1 1   24   16    2 o   27.688   10.025   8.7657   5.3241   2.0873   7.4399   15.775   7.6222   21.654   9.9728   33.972   12.030 -12.31705 15.62626 
1 1 1   24   16    3 o   15.295   7.3697  -4.0311   4.9953  -3.8300   6.8244  -4.2632   7.3315   17.784   8.5804   18.127   8.7815 -0.3427315 12.27757 
1 1 1   24   16    4 o   16.499   7.7809  -1.7253   4.9812  -3.7298   6.9243   0.4248   7.1712   17.735   8.5777   20.012   9.4062 -2.276735 12.73002 
1 1 1   24   16    5 o   17.843   8.2050   0.4713   5.0102   1.8030   6.9049  -1.0094   7.2810   20.259   9.4260   19.009   9.0905 1.249893 13.09524 
1 1 1   24   17    0 o   14.121   9.8196  -3.5983   7.3303  -3.5983   7.3303  -3.5983   7.3303   14.121   9.8196   14.121   9.8196 0.000000 0.000000 
1 1 1   24   17    1 o   17.104   8.0494  -0.8221   5.2803   0.6752   7.2567  -2.5069   7.6978   19.638   9.3006   18.484   8.9648 1.154345 12.91776 
1 1 1   24   17    2 o   27.430   10.177   9.9512   5.5390   3.3255   7.7038   17.042   7.9697   21.134   9.8744   31.960   12.132 -10.82519 15.64279 
1 1 1   25    1    0 o   55.826   6.0504   24.145   4.8862   24.145   4.8862   24.145   4.8862   55.826   6.0504   55.826   6.0504 0.000000 0.000000 
1 1 1   25    1    1 o   79.919   3.3782   47.792   4.0254   47.887   5.2607   47.658   6.2523   79.770   4.4408   79.418   5.3108 0.3515320 6.922785 
1 1 1   25    1    2 o   35.846   7.3229   10.091   3.7815   10.591   4.2196   8.0476   8.5223   36.629   7.9542   34.742   12.667 1.886879 14.95771 
1 1 1   25    1    3 o  105.235   2.9530   82.805   4.6334   80.828   5.9080   85.965   7.4679  103.867   3.8150  106.983   4.6818 -3.115685 6.039315 
1 1 1   25    1    4 o   93.743   3.0672   65.732   4.2869   68.445   5.4248   61.218   6.9958   95.573   3.8070   90.033   5.2341 5.539581 6.472165 
1 1 1   25    1    5 o   50.712   5.8513   19.663   4.3430   17.445   5.9356   22.218   6.3713   46.999   8.7936   53.336   8.2805 -6.336689 12.07865 
1 1 1   25    1    6 o   44.252   6.5664   15.148   4.2010   21.418   6.0136   9.1719   5.8712   52.413   7.9443   34.228   10.502 18.18521 13.16819 
1 1 1   25    1    7 o   42.336   6.4397   13.881   3.9368   12.901   4.5889   16.611   7.6615   40.435   7.8950   45.170   11.381 -4.735107 13.85134 
1 1 1   25    1    8 o   31.397   9.4651   7.7390   4.7982   10.830   6.0557   2.5258   7.8649   36.724   10.520   28.111   11.594 8.612429 15.65572 
1 1 1   25    1    9 o   20.830   8.0468   2.2665   3.5467   5.2761   4.7393  -1.5641   5.3469   27.226   9.4984   20.083   8.9215 7.143097 13.03120 
1 1 1   25    1   10 o   30.706   8.8057   7.5612   4.2405   16.150   7.1529   2.9067   5.2656   44.109   10.932   24.479   9.7006 19.63062 14.61516 
1 1 1   25    1   11 o   12.733   6.1545  -5.4488   3.5499  -4.8286   5.0650  -6.0476   4.9769   16.813   7.9035   15.860   7.5653 0.9533739 10.94069 
1 1 1   25    1   12 o   92.677   3.3065   64.777   4.5688   80.574   6.8089   51.839   6.1621  102.886   4.4386   82.132   5.0566 20.75414 6.728332 
1 1 1   25    1   13 o   27.562   8.0123   6.3618   3.4894   7.9682   5.2718   5.1093   4.6551   30.500   10.023   25.826   9.3704 4.673571 13.72065 
1 1 1   25    1   14 o   16.722   7.4322  -0.5670   3.7154  -0.4514   5.1267  -0.6948   5.3920   19.529   8.7020   19.767   8.8576 -0.2378788 12.41695 
1 1 1   25    1   15 o   47.084   5.0408   17.713   3.4837   15.016   5.0222   20.214   4.8363   40.908   8.5113   49.069   6.7927 -8.161041 10.88956 
1 1 1   25    2    0 o  109.966   3.8274   90.661   6.2581   90.661   6.2581   90.661   6.2581  109.966   3.8274  109.966   3.8274 0.000000 0.000000 
1 1 1   25    2    1 o   48.495   4.9065   17.859   3.4988   13.140   4.4114   25.860   5.7447   40.967   7.4986   58.051   6.7640 -17.08472 10.09855 
1 1 1   25    2    2 o  114.964   2.6743   98.786   4.5840  100.943   5.7367   94.976   7.6243  116.132   3.3132  112.449   4.5475 3.682671 5.626421 
1 1 1   25    2    3 o   30.030   7.6711   7.1295   3.4470   5.4016   3.8311   14.474   7.8987   26.760   8.5240   42.326   11.978 -15.56611 14.70105 
1 1 1   25    2    4 o   92.154   3.0612   63.539   4.2060   65.612   5.1887   59.567   7.1826   93.565   3.7195   88.718   5.4564 4.847000 6.603566 
1 1 1   25    2    5 o  101.238   2.9411   76.671   4.4394   75.796   5.4983   78.309   7.5243  100.562   3.6671  101.991   4.9480 -1.429291 6.158807 
1 1 1   25    2    6 o   86.876   3.3184   56.523   4.2982   51.504   5.3605   65.560   7.1932   82.679   4.3640   93.113   5.2021 -10.43402 6.790170 
1 1 1   25    2    7 o   70.993   4.4027   38.040   4.6372   35.370   6.2665   41.270   6.8943   68.018   6.2491   73.484   6.3551 -5.466309 8.912848 
1 1 1   25    2    8 o   28.308   8.4162   6.2862   3.8132  -0.2853   5.3721   12.960   5.4136   21.313   9.2159   40.096   9.2446 -18.78361 13.05355 
1 1 1   25    2    9 o   83.716   3.4563   52.614   4.3141   49.653   5.9411   55.917   6.2746   80.886   4.9502   85.862   4.9218 -4.976395 6.980599 
1 1 1   25    2   10 o   53.340   4.9383   21.759   3.8828   21.690   5.5397   21.825   5.4438   52.504   7.2718   52.731   7.1051 -0.2267761 10.16666 
1 1 1   25    2   11 o   58.095   5.0630   25.945   4.3417   26.289   6.9751   25.728   5.5473   57.009   8.4630   57.248   6.6212 -0.2394142 10.74538 
1 1 1   25    2   12 f   87.579   3.2104   57.926   4.1921   54.848   6.5864   60.022   5.4352   84.157   5.2758   88.787   4.1058 -4.630127 6.685185 
1 1 1   25    2   13 o   17.310   7.3933   0.4914   3.3778   5.3024   5.6991  -2.1138   4.1937   26.625   10.223   16.434   7.5385 10.19052 12.70191 
1 1 1   25    2   14 o   57.103   4.7222   25.621   3.9844   23.171   5.5045   28.317   5.7748   52.565   7.2136   58.569   6.7356 -6.003819 9.869386 
1 1 1   25    2   15 o   13.623   6.4252  -2.8154   3.3982   0.8331   4.9120  -6.1646   4.7062   19.691   8.6577   14.368   6.9782 5.322647 11.11990 
1 1 1   25    3    0 o   62.048   5.5684   29.520   5.0560   29.520   5.0560   29.520   5.0560   62.048   5.5684   62.048   5.5684 0.000000 0.000000 
1 1 1   25    3    1 o   22.180   7.7437   3.3721   3.1503   3.9476   4.0506   2.4911   5.0115   24.424   8.7569   23.812   9.4551 0.6121311 12.88726 
1 1 1   25    3    2 o   93.176   2.9249   64.941   4.0634   65.786   5.1318   63.522   6.6529   93.688   3.6738   91.749   4.8810 1.939186 6.109072 
1 1 1   25    3    3 o  102.084   3.0992   77.991   4.7171   82.182   5.3657   63.730   9.8973  104.744   3.4358   91.191   7.3416 13.55335 8.105754 
1 1 1   25    3    4 o  119.075   2.7399  106.033   4.8643  100.305   5.8652  118.654   8.7061  115.716   3.3995  125.594   4.6493 -9.877174 5.759547 
1 1 1   25    3    5 o  154.027   2.9433  177.523   6.7592  172.741   10.031  181.500   9.1482  151.579   4.4383  155.512   3.9455 -3.932724 5.938453 
1 1 1   25    3    6 o  118.563   2.7947  105.169   4.9403   98.447   6.2352  116.505   8.0973  114.567   3.6502  124.472   4.3631 -9.904175 5.688682 
1 1 1   25    3    7 o  113.323   2.8832   96.135   4.8715   88.173   6.2236  108.729   7.8276  108.352   3.8524  120.195   4.3679 -11.84297 5.824072 
1 1 1   25    3    8 o   90.256   3.7052   61.206   4.9860   59.934   5.9905   64.075   8.9952   89.030   4.5279   91.334   6.6512 -2.304092 8.046115 
1 1 1   25    3    9 o   43.648   6.5346   14.910   4.1217   14.432   5.1411   15.771   6.8962   42.310   8.4455   43.504   10.705 -1.194527 13.63522 
1 1 1   25    3   10 o   51.363   5.2090   20.316   3.9340   25.195   5.8078   16.180   5.3475   56.566   7.0386   44.664   8.3367 11.90158 10.91066 
1 1 1   25    3   11 o   45.138   5.3619   15.876   3.5380   20.991   5.5805   12.438   4.5749   51.002   7.5681   38.799   8.1669 12.20363 11.13441 
1 1 1   25    3   12 o   52.374   4.9913   21.381   3.8504   18.394   6.8603   22.754   4.6523   45.461   10.353   53.582   5.9224 -8.120926 11.92709 
1 1 1   25    3   13 o   51.024   4.8149   20.432   3.6197   18.829   5.2147   21.924   5.0284   47.237   7.6671   51.730   6.6752 -4.493668 10.16582 
1 1 1   25    3   14 o   28.560   7.5866   7.1838   3.2852   2.2183   4.9513   11.089   4.3910   21.404   9.0387   35.002   8.4990 -13.59741 12.40685 
1 1 1   25    4    0 o  121.284   3.4273  110.133   6.1865  110.133   6.1865  110.133   6.1865  121.284   3.4273  121.284   3.4273 0.000000 0.000000 
1 1 1   25    4    1 o   16.213   6.8793   0.1367   2.8903  -2.5637   3.6868   4.4429   4.6556   15.383   7.0606   25.945   9.3774 -10.56262 11.73835 
1 1 1   25    4    2 o  103.414   2.7221   79.982   4.1972   76.129   5.2106   87.102   7.0830  100.793   3.4673  107.640   4.4134 -6.847504 5.612483 
1 1 1   25    4    3 o   58.140   4.4712   25.567   3.8462   24.743   4.2045   29.793   9.5206   57.088   4.9899   60.861   10.892 -3.772846 11.98052 
1 1 1   25    4    4 o  141.106   2.7056  148.925   5.6921  156.884   6.7819  129.955   10.470  144.744   3.1426  131.183   5.3531 13.56105 6.207323 
1 1 1   25    4    5 o   94.421   3.0633   66.760   4.3125   64.916   5.2946   70.394   7.4332   92.994   3.8187   96.422   5.1896 -3.428391 6.443112 
1 1 1   25    4    6 o   74.906   3.8017   42.247   4.2320   44.588   5.1898   37.599   7.3114   76.797   4.5527   69.776   7.1280 7.021484 8.457843 
1 1 1   25    4    7 o  108.568   2.9759   88.321   4.8172   90.674   6.2283   84.817   7.5997  109.828   3.8035  105.959   4.8105 3.868927 6.132453 
1 1 1   25    4    8 o   94.738   3.1993   67.373   4.5191   69.740   6.0203   64.318   6.8399   96.149   4.1995   91.980   5.0064 4.169815 6.534506 
1 1 1   25    4    9 o   86.717   3.1295   56.511   4.0462   58.924   6.1239   54.640   5.3905   87.998   4.6844   84.875   4.2733 3.122299 6.340737 
1 1 1   25    4   10 o   74.452   3.6159   41.886   4.0139   47.628   6.6569   38.606   5.0314   78.411   5.7338   70.973   4.7826 7.438629 7.466607 
1 1 1   25    4   11 o   41.980   6.1632   14.061   3.7427   11.785   6.9705   14.983   4.4365   36.185   11.495   42.877   7.1946 -6.692657 13.56065 
1 1 1   25    4   12 o   17.049   7.2250   0.6495   3.1814  -4.1195   4.8436   4.2683   4.2192   16.282   7.6769   23.866   8.8763 -7.583639 11.73559 
1 1 1   25    4   13 o   41.377   6.6453   14.261   3.9609   15.422   5.0548   12.412   6.3753   41.823   8.3980   35.519   10.951 6.303310 13.80039 
1 1 1   25    4   14 o   18.133   7.4982   1.6472   3.3017  -4.8910   4.8747   7.1887   4.4878   15.361   7.3703   27.552   9.2536 -12.19110 11.83003 
1 1 1   25    5    0 o   9.2679   6.5635  -4.7736   3.7553  -4.7736   3.7553  -4.7736   3.7553   9.2679   6.5635   9.2679   6.5635 0.000000 0.000000 
1 1 1   25    5    1 o   50.251   4.1603   19.103   3.0889   20.547   4.0433   17.079   4.7872   51.902   5.2993   46.834   7.0762 5.067665 8.840515 
1 1 1   25    5    2 o   97.262   2.8060   70.784   4.0692   72.659   5.1093   67.532   6.7288   98.443   3.4810   94.550   4.7888 3.893127 5.920286 
1 1 1   25    5    3 o   36.577   5.9607   10.393   3.1387   9.4050   3.6551   13.168   6.1251   34.451   7.3405   40.268   10.193 -5.816620 12.56089 
1 1 1   25    5    4 o   29.797   8.5131   7.0406   3.9706   5.7125   4.6467   10.634   7.6435   27.840   9.4156   36.792   12.067 -8.951653 15.30594 
1 1 1   25    5    5 f   26.399   7.9285   5.4419   3.3714   5.5173   3.9304   5.2320   6.5593   26.889   8.6410   29.099   11.016 -2.209272 14.00071 
1 1 1   25    5    6 f   84.387   4.4056   53.846   5.5238   59.513   8.4371   49.594   7.3078   88.030   6.4736   80.441   6.1394 7.588875 8.921918 
1 1 1   25    5    7 o   71.017   3.9062   38.103   4.1202   37.122   5.1925   39.770   6.7703   69.794   5.0235   71.780   6.3930 -1.986305 8.130512 
1 1 1   25    5    8 o   39.034   5.9644   11.928   3.3610   9.7251   4.7709   14.099   4.7357   34.355   9.1503   41.853   7.8782 -7.497952 12.07452 
1 1 1   25    5    9 o   20.930   7.7602   2.8433   3.2199   9.4089   4.9409  -2.0034   4.2451   33.522   9.4686   16.993   7.7140 16.52890 12.21310 
1 1 1   25    5   10 o   49.022   4.7988   18.602   3.4625   19.893   5.3512   17.672   4.5412   49.478   7.4880   46.984   6.6699 2.493931 10.02790 
1 1 1   25    5   11 o   21.499   8.0905   3.1809   3.5254   1.8699   6.6334   3.6970   4.1618   24.016   10.312   23.053   8.7634 0.9631214 13.53259 
1 1 1   25    5   12 o   21.332   7.7318   3.4738   3.1682   5.9628   4.8488   1.6195   4.1851   26.504   9.5715   19.948   8.3606 6.556181 12.70875 
1 1 1   25    5   13 o   14.099   6.6615  -3.1412   3.6819  -2.8941   4.5268  -3.6242   6.3285   16.071   7.5280   18.665   8.7927 -2.594450 11.57509 
1 1 1   25    5   14 o   26.236   7.8826   6.3920   3.3321   14.240   5.2353   1.0481   4.3200   38.045   9.3061   18.705   8.1741 19.34035 12.38628 
1 1 1   25    6    0 o   52.807   5.4237   21.554   4.1671   21.554   4.1671   21.554   4.1671   52.807   5.4237   52.807   5.4237 0.000000 0.000000 
1 1 1   25    6    1 o   98.361   2.5468   72.370   3.7350   74.434   5.1133   70.009   5.4688   99.615   3.4428   96.544   3.7993 3.071220 5.127086 
1 1 1   25    6    2 o   62.588   3.6442   29.507   3.3860   36.981   4.3113   17.477   5.4699   69.991   4.1499   47.004   8.0972 22.98726 9.098695 
1 1 1   25    6    3 o  131.222   2.8539  128.946   5.5837  139.495   7.2865  113.940   8.6907  136.307   3.5854  122.864   4.7442 13.44250 5.946591 
1 1 1   25    6    4 o   89.080   3.5294   59.590   4.6877   63.010   5.0343   37.287   12.855   91.571   3.6873   66.364   13.453 25.20698 13.94876 
1 1 1   25    6    5 o   28.394   8.2524   6.4162   3.7020   5.5489   4.0300   11.103   9.3680   26.925   8.7589   37.785   13.341 -10.86019 15.95973 
1 1 1   25    6    6 o   61.587   4.2181   28.766   3.8499   34.327   4.7972   18.702   6.4530   67.134   4.8249   47.898   9.3715 19.23591 10.54064 
1 1 1   25    6    7 o   80.660   3.2555   48.930   3.9152   50.347   5.3373   47.279   5.7607   81.409   4.4137   78.699   4.9345 2.710495 6.620405 
1 1 1   25    6    8 o   35.576   6.4186   10.086   3.2794   10.124   4.7544   10.052   4.5292   34.811   9.0693   34.772   8.7447 0.3907394E-01 12.59848 
1 1 1   25    6    9 o   50.371   5.4230   19.804   4.0086   20.108   5.6548   19.496   5.6833   49.569   7.9177   48.690   8.1142 0.8787766 11.33716 
1 1 1   25    6   10 o   30.469   7.3967   7.7861   3.3264   11.168   5.6196   5.9620   4.1271   35.303   10.141   26.778   8.8713 8.525238 13.47344 
1 1 1   25    6   11 o   45.180   4.9105   16.102   3.2546   22.129   4.9480   11.506   4.3207   52.033   6.5213   36.387   8.1648 15.64536 10.44948 
1 1 1   25    6   12 o   41.055   5.6807   13.744   3.3841   13.491   4.9634   13.964   4.6261   38.460   8.8407   39.750   8.0809 -1.289581 11.97750 
1 1 1   25    6   13 o   61.222   3.9645   29.381   3.5994   31.287   5.5944   28.035   4.7018   61.072   6.2312   58.552   5.4483 2.519497 8.277155 
1 1 1   25    7    0 o   12.219   7.9750  -0.3357   3.5533  -0.3357   3.5533  -0.3357   3.5533   12.219   7.9750   12.219   7.9750 0.000000 0.000000 
1 1 1   25    7    1 o   19.173   6.9499   2.3730   2.5599   5.0431   3.2988  -1.6696   4.0589   25.495   7.8801   17.064   7.6629 8.430927 10.99168 
1 1 1   25    7    2 o   25.864   6.9693   5.3131   2.7482   4.7892   3.3805   6.3341   4.7193   25.028   8.0107   28.768   9.4842 -3.740252 12.41460 
1 1 1   25    7    3 o   47.618   4.4722   17.270   3.1379   19.398   3.7328   12.144   5.7936   50.353   5.0398   38.409   10.014 11.94430 11.21065 
1 1 1   25    7    4 o   24.038   8.0450   4.3067   3.3920   4.1307   3.7704   5.0540   7.7679   24.114   8.4687   29.925   11.807 -5.811062 14.52977 
1 1 1   25    7    5 o   19.895   7.5412   2.3143   3.0763  -1.6438   3.9049   8.7903   4.9947   16.630   7.4879   32.776   9.6027 -16.14554 12.17706 
1 1 1   25    7    6 o   31.692   7.0988   8.1024   3.2710   10.147   4.2797   5.2306   5.0724   35.189   8.2930   27.035   9.7856 8.153721 12.82703 
1 1 1   25    7    7 o   40.666   6.5029   13.140   3.8100   19.751   7.0563   10.420   4.5266   48.270   10.128   35.389   8.6515 12.88160 13.31980 
1 1 1   25    7    8 o   74.741   3.3809   42.242   3.7675   49.195   6.0459   37.828   4.8172   79.790   5.1089   70.155   4.6315 9.635628 6.895764 
1 1 1   25    7    9 o   15.987   6.9301  -0.0113   3.0528   5.6801   4.5226  -4.7746   4.1375   26.504   9.2769   14.400   6.8768 12.10436 11.54780 
1 1 1   25    7   10 o   24.456   7.6194   5.0323   3.0772   1.4208   4.5836   7.9956   4.1520   20.451   8.6695   30.089   8.7380 -9.638157 12.30904 
1 1 1   25    7   11 o   30.966   6.8859   8.1917   3.0969   9.7722   4.6023   6.8838   4.1866   32.514   9.1224   27.606   8.9232 4.907831 12.76094 
1 1 1   25    7   12 o   19.533   7.6586   2.6535   3.2496   4.4090   5.4305   1.6743   4.0560   23.859   9.7127   19.272   8.1618 4.586517 12.68668 
1 1 1   25    7   13 o   24.251   8.0582   5.5337   3.4044  -4.8935   5.4491   12.209   4.3600   15.985   7.7011   35.761   8.3319 -19.77559 11.34579 
1 1 1   25    8    0 o   13.180   9.4140 -12.0662   8.3486 -12.0662   8.3486 -12.0662   8.3486   13.180   9.4140   13.180   9.4140 0.000000 0.000000 
1 1 1   25    8    1 o   21.312   7.5775   3.1196   3.0270   6.8660   8.4460   2.5674   3.2424   32.360   12.441   20.642   7.7607 11.71788 14.66273 
1 1 1   25    8    2 o   48.501   5.5178   18.157   3.9191   19.266   8.1827   17.827   4.4645   47.576   11.633   47.765   6.4324 -0.1886520 13.29265 
1 1 1   25    8    3 o   28.238   6.6540   6.3904   2.7555   7.5593   3.3252   3.8283   4.9231   30.596   7.3756   24.983   9.5231 5.613317 12.04524 
1 1 1   25    8    4 f  118.871   2.6894  106.004   4.7665  107.844   6.1907  103.325   7.4695  119.649   3.4702  116.796   4.2894 2.853233 5.517376 
1 1 1   25    8    5 o   29.400   7.3793   7.0362   3.2296   5.9665   4.0902   8.8075   5.2633   27.382   8.8166   32.548   9.9358 -5.166388 13.28358 
1 1 1   25    8    6 o   54.932   4.1208   23.039   3.3504   30.300   4.9884   17.072   4.5222   62.538   5.4029   46.291   6.7509 16.24742 8.646721 
1 1 1   25    8    7 o   40.156   5.3637   12.668   3.1310   9.4613   4.4385   15.844   4.4175   33.354   8.7983   44.302   6.9136 -10.94781 11.18961 
1 1 1   25    8    8 o   24.732   8.1521   4.9876   3.4867   2.3065   4.5283   8.8918   5.4645   21.684   8.8530   31.725   10.188 -10.04144 13.49719 
1 1 1   25    8    9 o   45.170   5.0010   16.112   3.3115   21.366   4.8814   11.633   4.5073   51.133   6.5537   36.456   8.4561 14.67643 10.69845 
1 1 1   25    8   10 o   40.733   5.4222   13.398   3.2112   16.732   4.7207   10.528   4.3809   44.225   7.4222   34.123   8.6108 10.10234 11.36816 
1 1 1   25    8   11 o   60.321   4.1781   28.575   3.7345   27.189   5.1851   30.070   5.3833   57.163   6.1822   60.239   6.0768 -3.076420 8.668758 
1 1 1   25    8   12 o   53.949   5.4881   24.113   4.3529   13.815   7.2430   29.936   5.4462   34.008   11.749   59.299   6.2543 -25.29054 13.31012 
1 1 1   25    9    0 o   26.331   8.1056   6.5309   2.7835   6.5309   2.7835   6.5309   2.7835   26.331   8.1056   26.331   8.1056 0.000000 0.000000 
1 1 1   25    9    1 o   51.087   2.6770   19.638   2.0320   19.803   3.1343   19.518   2.6688   50.973   4.1604   50.753   3.5492 0.2198372 5.468595 
1 1 1   25    9    2 o   46.137   3.2253   16.102   2.2047   19.033   3.2405   13.576   3.0083   49.885   4.4019   41.930   4.9047 7.954853 6.590370 
1 1 1   25    9    3 o   71.300   2.6509   38.170   2.8181   42.671   4.0686   34.019   3.9070   75.154   3.6310   66.918   3.9332 8.236588 5.352919 
1 1 1   25    9    4 o   37.999   6.0948   11.448   3.3363   12.691   3.5135   0.0516   10.641   40.056   6.0735   28.296   12.577 11.75940 13.96696 
1 1 1   25    9    5 o   23.320   7.5841   4.2818   3.0215   4.8135   3.7474   3.2939   5.1082   24.854   8.4553   24.049   9.5468 0.8058224 12.75279 
1 1 1   25    9    6 o   56.881   4.2396   24.866   3.5697   25.626   4.5891   23.703   5.6803   57.201   5.4467   54.032   7.2325 3.169289 9.053994 
1 1 1   25    9    7 o   48.765   4.3979   18.441   3.1632   14.018   4.8745   21.658   4.1575   40.479   8.3537   52.385   5.4003 -11.90693 9.947240 
1 1 1   25    9    8 o   27.988   8.4761   6.8619   3.8415  -1.1253   6.6921   10.787   4.6915   21.306   9.6772   34.679   8.9965 -13.37310 13.21308 
1 1 1   25    9    9 o   29.356   6.8798   7.3851   2.9586   12.546   4.5230   3.5252   3.9115   37.517   8.3053   21.933   8.4568 15.58448 11.85310 
1 1 1   25    9   10 o   18.062   7.4703   1.6232   3.2780   9.7601   4.4794  -7.7585   4.8098   32.042   9.0032   13.784   6.7705 18.25814 11.26488 
1 1 1   25    9   11 o   37.813   5.5817   11.951   3.0523   9.7308   4.6916   13.580   4.0191   31.037   9.3599   39.071   7.1634 -8.033281 11.78652 
1 1 1   25   10    0 o   61.806   12.236   33.019   10.021   33.019   10.021   33.019   10.021   61.806   12.236   61.806   12.236 0.000000 0.000000 
1 1 1   25   10    1 o   50.307   2.7278   19.087   2.0384   22.337   8.4069   18.884   2.1011   50.178   11.485   50.016   2.8291 0.1614494 11.82852 
1 1 1   25   10    2 o   99.193   2.3342   73.843   3.4521   74.257   9.6568   73.783   3.6964   96.946   6.7224   99.103   2.5016 -2.157578 7.172771 
1 1 1   25   10    3 o   30.968   4.3043   7.4524   1.9337   6.6194   2.5108   8.6666   3.0314   28.622   6.0717   32.718   6.4435 -4.095987 8.853470 
1 1 1   25   10    4 o   52.923   3.2948   21.285   2.5869   23.180   3.6620   19.397   3.6548   54.788   4.5234   49.904   4.9785 4.884815 6.726571 
1 1 1   25   10    5 o   21.668   7.2553   3.6908   2.7587   6.3953   3.4540  -1.0746   4.5848   27.495   7.9654   18.178   8.1551 9.316660 11.39972 
1 1 1   25   10    6 o   45.193   6.9167   16.849   4.5123   10.374   9.2206   18.888   5.1742   33.335   12.947   47.469   7.5646 -14.13477 14.99524 
1 1 1   25   10    7 o   13.126   6.0099  -1.3925   2.6488  -1.9573   4.0361  -0.9652   3.5105   15.998   7.3596   15.749   7.0946 0.2496424 10.22237 
1 1 1   25   10    8 o   18.125   7.3507   1.7593   3.0963   4.3676   4.2093  -1.3162   4.5707   23.353   8.8286   17.415   7.9437 5.937664 11.87625 
1 1 1   25   10    9 o   19.154   7.1724   2.7612   2.7640   3.9577   4.2888   1.9113   3.6148   22.462   8.8006   18.929   7.8380 3.532423 11.78496 
1 1 1   25   10   10 o   25.804   7.3502   6.0934   2.9644   11.136   4.4136   1.9484   4.0013   33.901   8.6911   19.176   8.1130 14.72533 11.88935 
1 1 1   25   10   11 f   18.812   7.3199   2.7978   2.9513   5.0010   4.5407   1.1862   3.8835   22.927   9.0328   17.744   7.7523 5.183599 11.90331 
1 1 1   25   11    0 o   28.916   15.383   10.411   8.9740   10.411   8.9740   10.411   8.9740   28.916   15.383   28.916   15.383 0.000000 0.000000 
1 1 1   25   11    1 o   18.785   8.7391  -3.6661   5.9317  -4.3957   7.8964  -2.7212   8.9863   21.490   10.026   23.879   10.984 -2.388718 14.87140 
1 1 1   25   11    2 o   34.174   3.2536   8.9319   1.6378   3.4760   7.8618   9.1794   1.6745   26.783   11.354   34.641   3.2813 -7.857788 11.81870 
1 1 1   25   11    3 o   32.084   6.8367   8.5557   3.1704   6.5732   7.4462   8.9947   3.5038   29.155   11.541   32.675   7.3680 -3.519897 13.69278 
1 1 1   25   11    4 o   23.639   7.1968   4.6615   2.7641   20.145   9.4629   3.2172   2.8901   43.919   13.304   20.675   7.3985 23.24357 15.22279 
1 1 1   25   11    5 o   47.250   6.5432   18.384   4.4859   0.0000   0.0000   18.384   4.4859  ?   ?    47.250   6.5432 0.000000 6.543197 
1 1 1   25   11    6 o   33.511   7.9326   9.9228   3.9020   6.2119   7.1825   11.477   4.6477   27.494   11.179   35.482   8.8227 -7.987812 14.24095 
1 1 1   25   11    7 o   37.865   7.3596   12.503   4.0053   21.123   7.0997   8.4790   4.8509   46.242   10.533   29.702   9.6055 16.53988 14.25519 
1 1 1   25   11    8 o   29.714   7.3010   7.9064   3.2114   4.6660   6.6547   8.8901   3.6666   24.667   10.451   31.134   7.8890 -6.467054 13.09428 
1 1 1   25   11    9 o   17.747   7.4459   1.6095   3.3251  -3.0498   6.2680   3.4343   3.9225   18.181   8.6201   20.933   8.3482 -2.752277 11.99992 
1 1 1   25   11   10 o   18.979   7.5930   2.7581   3.2555   17.463   6.8694  -1.5010   3.6971   37.898   11.303   14.840   6.9023 23.05798 13.24363 
1 1 1   25   12    0 o   28.000   16.158   10.041   10.887   10.041   10.887   10.041   10.887   28.000   16.158   28.000   16.158 0.000000 0.000000 
1 1 1   25   12    1 o   40.735   11.494   16.394   7.2846   24.626   10.729   9.3548   9.9218   47.016   14.149   31.962   13.083 15.05359 19.27105 
1 1 1   25   12    2 o   29.275   11.582   7.4403   7.4944   3.8499   10.006   12.028   11.311   27.770   12.277   34.088   13.963 -6.318298 18.59247 
1 1 1   25   12    3 o   51.023   2.9090   19.842   2.2038   0.0000   0.0000   19.842   2.2038  ?   ?    51.023   2.9090 0.000000 2.908951 
1 1 1   25   12    4 o   18.427   6.6089   2.5613   2.3074  -2.9414   7.4805   3.1398   2.4256   20.756   9.7081   19.812   6.8018 0.9442310 11.85379 
1 1 1   25   12    5 o   37.312   7.2382   12.093   3.8815   7.9421   7.2940   13.733   4.5845   28.735   11.408   39.127   8.1244 -10.39258 14.00503 
1 1 1   25   12    6 o   15.368   7.0039  -1.0925   3.5435   4.1075   6.6577  -3.1478   4.1857   24.300   10.379   15.048   7.1077 9.251656 12.57968 
1 1 1   25   12    7 o   14.669   6.5425  -0.2902   2.9050   3.5466   6.8160  -1.1419   3.2113   23.456   10.258   14.462   6.6202 8.993482 12.20907 
1 1 1   25   12    8 o   15.870   6.8214   0.8030   2.9085  -0.9475   6.5321   1.2359   3.2482   19.529   9.1136   17.026   7.2605 2.503094 11.65217 
1 1 1   25   12    9 o   11.842   5.7527  -4.1066   3.2040  -6.1741   6.6117  -3.4721   3.6627   16.580   8.1007   13.261   6.3697 3.318777 10.30512 
1 1 1   25   13    0 f   29.812   17.774   12.882   13.915   12.882   13.915   12.882   13.915   29.812   17.774   29.812   17.774 0.000000 0.000000 
1 1 1   25   13    1 o   21.124   9.5931  -0.1529   6.5740   1.6853   7.7299  -4.9578   12.497   23.613   10.591   24.317   11.702 -0.7046127 15.78341 
1 1 1   25   13    2 o   31.390   10.547   10.020   5.8306   13.483   7.7425   5.4833   8.8619   34.677   12.138   26.946   11.743 7.730967 16.88900 
1 1 1   25   13    3 o   26.183   10.093   6.3186   5.5701 -10.0757   7.4229   27.447   8.4269   17.084   8.3954   51.438   11.297 -34.35351 14.07495 
1 1 1   25   13    4 o   27.657   5.0820   6.3076   2.0184   8.4380   6.8095   6.1024   2.1133   28.496   11.110   27.016   5.4349 1.479843 12.36824 
1 1 1   25   13    5 o   13.722   6.3886  -1.8526   3.1797   0.1081   7.2729  -2.3159   3.5355   21.345   9.8413   14.145   6.6346 7.200102 11.86885 
1 1 1   25   13    6 o   29.431   8.2524   8.3953   3.7675   12.180   7.3407   7.0419   4.3898   31.369   11.700   26.398   9.1453 4.970978 14.85010 
1 1 1   25   13    7 o   17.017   7.5418   0.6321   3.7990   6.5769   6.7321  -2.1456   4.6018   24.962   10.540   15.970   7.5154 8.992295 12.94513 
1 1 1   25   13    8 o   27.201   9.1120   8.1588   4.3515   12.487   6.7348   5.0569   5.7013   30.370   11.231   22.649   9.6378 7.720903 14.79903 
1 1 1   25   14    0 o   30.192   14.801   12.379   7.9101   12.379   7.9101   12.379   7.9101   30.192   14.801   30.192   14.801 0.000000 0.000000 
1 1 1   25   14    1 o   33.001   10.157   11.555   5.4872   13.879   7.8227   9.3050   7.6990   33.519   12.149   28.695   11.607 4.824682 16.80263 
1 1 1   25   14    2 o   23.822   9.6605   5.0275   5.3476   0.0653   7.3409   10.638   7.8058   21.213   9.8177   29.802   11.811 -8.589098 15.35844 
1 1 1   25   14    3 o   24.004   10.224   4.9438   6.4280  -3.7113   7.3551   32.933   13.226   19.054   9.1185   43.393   15.787 -24.33947 18.23128 
1 1 1   25   14    4 o   18.089   8.5366  -2.1937   6.0131 -10.4300   6.9374   22.686   12.057   15.715   7.7945   35.690   14.494 -19.97498 16.45721 
1 1 1   25   14    5 o   14.819   6.1275   1.0998   2.2048  -4.6692   6.8770   1.7607   2.3276   17.647   8.5383   16.207   6.4412 1.439272 10.69538 
1 1 1   25   14    6 o   23.259   9.8612   5.5595   5.9311   7.1894   7.0796   1.7225   10.862   24.786   10.648   22.640   10.899 2.146069 15.23679 
1 1 1   25   15    0 o   15.189   10.395  -2.2731   7.4582  -2.2731   7.4582  -2.2731   7.4582   15.189   10.395   15.189   10.395 0.000000 0.000000 
1 1 1   25   15    1 o   18.973   8.5555   1.0639   5.1200  -4.5237   7.0788   7.1936   7.4142   17.849   8.6425   25.227   10.868 -7.378141 13.88525 
1 1 1   25   15    2 o   18.089   8.5938  -2.0663   6.2905  -2.5427   7.7168  -1.1227   10.860   19.257   9.2484   21.889   10.624 -2.632074 14.08534 
1 1 1   25   15    3 o   17.361   8.3086  -2.7867   6.1070  -4.2373   7.0259   1.6962   12.351   17.689   8.5759   23.088   11.234 -5.399214 14.13339 
1 1 1   25   15    4 o   17.216   8.0883  -1.0557   5.2915   1.9978   7.2043  -4.6326   7.7973   20.741   9.6430   18.058   8.8171 2.683411 13.06635 
1 1 1   25   16    0 o   29.786   16.868   16.582   11.552   16.582   11.552   16.582   11.552   29.786   16.868   29.786   16.868 0.000000 0.000000 
1 1 1   25   16    1 o   27.693   10.945   11.397   6.6869   4.4874   8.0961   26.228   11.861   21.828   10.173   32.779   13.924 -10.95145 17.24409 
1 1 1   26    1    0 o  143.435   3.4046  153.899   7.2718  153.899   7.2718  153.899   7.2718  143.435   3.4046  143.435   3.4046 0.000000 0.000000 
1 1 1   26    1    1 o  105.978   3.0704   84.032   4.8516   87.602   5.8884   76.487   8.5610  108.124   3.6526  100.498   5.7372 7.626190 6.801260 
1 1 1   26    1    2 o   48.837   5.9514   18.281   4.2438   18.736   5.8804   17.786   6.1307   48.833   8.3782   47.377   9.0084 1.456108 12.30225 
1 1 1   26    1    3 o  126.265   3.0865  119.304   5.8105  112.543   8.3222  125.734   8.1164  122.360   4.5617  129.413   4.2064 -7.052444 6.205102 
1 1 1   26    1    4 o   92.250   3.3306   63.731   4.5810   65.615   5.2149   57.365   9.5869   93.548   3.7389   86.420   7.5152 7.128632 8.393874 
1 1 1   26    1    5 o  106.996   2.9218   85.655   4.6612   86.305   5.8246   84.495   7.7728  107.295   3.6410  105.919   4.9219 1.376228 6.122288 
1 1 1   26    1    6 o  119.890   2.9283  107.566   5.2345  107.074   6.5158  108.461   8.7901  119.488   3.6574  119.971   4.9141 -0.4835205 6.125802 
1 1 1   26    1    7 f  113.211   3.1075   95.999   5.2453   92.909   6.2058  103.727   9.8154  111.257   3.7411  117.055   5.6240 -5.798279 6.754655 
1 1 1   26    1    8 o   43.731   6.0321   14.801   3.8284   17.218   5.0656   11.581   5.8461   46.798   7.5142   37.688   10.169 9.109802 12.64395 
1 1 1   26    1    9 f   83.531   3.5004   52.441   4.3596   47.197   5.9604   58.473   6.3930   78.731   5.1052   87.732   4.9070 -9.001793 7.081059 
1 1 1   26    1   10 o   55.038   5.6152   23.392   4.5433   22.264   5.8191   25.154   7.2711   52.940   7.5893   55.642   9.0776 -2.701729 11.83215 
1 1 1   26    1   11 o   39.543   6.8623   12.549   3.8992   11.283   5.7121   13.654   5.3356   36.297   10.156   40.339   9.0893 -4.042385 13.62909 
1 1 1   26    1   12 o   21.471   8.9150   1.8137   4.6948   3.8075   5.1763  -7.4341   11.148   24.539   9.6517   24.364   11.536 0.1748314 15.04081 
1 1 1   26    1   13 o   48.889   5.4832   19.017   3.9279   17.014   5.0917   21.960   6.1730   44.752   7.9209   50.525   8.4960 -5.773239 11.61567 
1 1 1   26    1   14 o   10.895   5.3679  -5.9518   3.0998  -6.5332   4.4863  -5.4206   4.2880   13.867   6.7525   14.046   6.7832 -0.1794910 9.571182 
1 1 1   26    1   15 o   28.189   7.3936   7.1613   3.1460  -0.2381   5.0066   11.989   4.0442   18.658   8.4325   36.487   7.6772 -17.82845 11.40381 
1 1 1   26    2    0 o   30.129   11.092   9.1634   4.6108   9.1634   4.6108   9.1634   4.6108   30.129   11.092   30.129   11.092 0.000000 0.000000 
1 1 1   26    2    1 o   21.071   7.8572   2.6320   3.3103   7.2792   4.4072  -3.3829   5.0141   30.476   9.0452   17.953   8.2380 12.52293 12.23435 
1 1 1   26    2    2 o   71.129   3.9257   38.075   4.1471   38.915   4.6850   35.037   8.9143   71.825   4.3960   66.817   9.1914 5.007713 10.18852 
1 1 1   26    2    3 o   54.611   4.8814   22.634   3.9327   21.555   4.3895   27.024   8.8533   53.126   5.6274   58.026   10.625 -4.900372 12.02299 
1 1 1   26    2    4 o   31.237   8.9824   7.7184   4.4070   4.2654   5.7705   12.551   6.8265   27.115   10.316   39.387   11.131 -12.27178 15.17665 
1 1 1   26    2    5 o   59.951   4.3805   27.171   3.8884   31.023   4.7514   19.362   6.7659   63.946   5.0240   49.176   9.5723 14.76979 10.81061 
1 1 1   26    2    6 o   53.677   5.0488   21.936   3.9931   23.051   4.8375   19.550   7.0741   54.804   6.0193   49.215   9.9820 5.588787 11.65644 
1 1 1   26    2    7 o   44.212   6.6227   15.229   4.2312   20.938   5.7544   8.5083   6.2432   51.645   7.7093   33.123   10.908 18.52189 13.35725 
1 1 1   26    2    8 o   23.664   8.3424   3.9178   3.6615   6.0132   4.7177   0.7436   5.8065   28.221   9.4875   22.960   9.7470 5.261135 13.60207 
1 1 1   26    2    9 o   50.660   5.3965   19.771   4.0134   15.763   5.3070   25.125   6.1339   44.168   8.3651   56.414   7.4768 -12.24552 11.21953 
1 1 1   26    2   10 f  101.497   3.8444   77.914   5.8177   80.129   11.266   77.109   6.7937  100.645   7.5627  100.693   4.5252 -0.4811859E-01 8.813133 
1 1 1   26    2   11 o   44.030   6.7611   15.592   4.2966   17.779   5.6363   12.557   6.6388   46.171   8.5007   37.528   11.093 8.642986 13.97522 
1 1 1   26    2   12 o   44.359   6.2849   15.890   4.0404   14.475   6.1257   16.979   5.3755   39.935   10.240   44.629   8.3865 -4.694073 13.23562 
1 1 1   26    2   13 o   28.337   7.6923   6.9805   3.3334   9.2620   5.0976   5.2762   4.4059   31.599   9.8006   25.193   9.1199 6.406620 13.38744 
1 1 1   26    2   14 o   12.517   6.0317  -4.2014   3.3478  -6.2876   4.7316  -2.1101   4.7373   14.376   6.9853   16.970   7.8655 -2.594398 10.51952 
1 1 1   26    3    0 o   47.885   7.2883   18.377   4.8460   18.377   4.8460   18.377   4.8460   47.885   7.2883   47.885   7.2883 0.000000 0.000000 
1 1 1   26    3    1 o   46.960   5.0700   16.817   3.4935   19.498   4.5958   13.147   5.3766   50.333   6.2593   40.488   9.1251 9.844746 11.06552 
1 1 1   26    3    2 o   53.711   4.5653   21.862   3.6213   20.091   4.4091   25.533   6.3481   51.191   5.8837   57.309   7.6180 -6.117882 9.625631 
1 1 1   26    3    3 o   65.862   4.2870   32.749   4.1868   31.849   4.6160   36.924   9.9427   64.841   4.8090   68.150   10.090 -3.308960 11.17755 
1 1 1   26    3    4 o   75.769   3.7492   43.090   4.2355   44.871   4.9604   38.297   8.1369   77.113   4.3320   70.212   7.9106 6.900665 9.019080 
1 1 1   26    3    5 o   80.050   4.4745   48.412   5.3191   47.727   7.5926   49.072   7.4540   78.901   6.5123   80.084   6.2934 -1.183281 9.056310 
1 1 1   26    3    6 o   26.023   8.8413   4.9633   4.0973   3.0545   5.1902   8.1200   6.6747   24.612   9.6697   32.821   11.282 -8.209578 14.85904 
1 1 1   26    3    7 o   57.075   4.7570   24.801   4.0112   28.574   5.0612   18.429   6.5776   61.048   5.6237   47.587   9.6016 13.46117 11.12733 
1 1 1   26    3    8 o   74.106   4.3814   41.675   4.8195   42.043   5.6705   40.715   9.1467   74.184   5.1588   71.405   8.7762 2.778572 10.18010 
1 1 1   26    3    9 o   25.838   8.6715   5.1308   3.9410   7.8633   4.9045   0.1508   6.6209   30.996   9.6131   23.429   10.181 7.567041 14.00227 
1 1 1   26    3   10 o   64.420   6.0839   32.542   5.7744   32.542   5.7744   0.0000   0.0000   64.420   6.0839  ?   ?  0.000000 6.083938 
1 1 1   26    3   11 o   60.734   4.8343   28.651   4.3414   27.822   5.6728   29.823   6.7447   58.862   6.5762   60.205   7.6895 -1.343121 10.11803 
1 1 1   26    3   12 o   66.132   4.3002   33.917   4.2170   36.594   6.0391   31.370   5.8911   67.442   6.0708   62.117   6.4552 5.325485 8.861388 
1 1 1   26    3   13 o   19.302   7.6092   2.3770   3.2240   5.5477   4.8254  -0.1797   4.3331   25.458   9.4878   18.017   8.0161 7.441093 12.42084 
1 1 1   26    3   14 o   26.255   7.8699   6.3360   3.3241   11.408   5.1353   2.6782   4.3610   33.710   9.6971   20.697   8.5929 13.01311 12.95648 
1 1 1   26    4    0 o   19.251   10.633   3.9160   4.4513   3.9160   4.4513   3.9160   4.4513   19.251   10.633   19.251   10.633 0.000000 0.000000 
1 1 1   26    4    1 o  106.597   2.6212   84.998   4.1659   84.604   5.5293   85.516   6.3355  106.210   3.4917  106.685   3.9830 -0.4743729 5.296825 
1 1 1   26    4    2 o  120.282   2.6230  108.230   4.7040  112.126   5.9387  101.670   7.7065  122.313   3.2565  116.203   4.4481 6.110336 5.512725 
1 1 1   26    4    3 o   73.299   3.4396   40.301   3.7590   45.736   4.6344   29.849   6.4267   77.901   4.0036   62.103   7.0665 15.79771 8.121887 
1 1 1   26    4    4 o  143.365   2.6958  153.838   5.7624  153.902   6.8353  153.681   10.713  143.278   3.1997  142.584   5.0394 0.6938477 5.969410 
1 1 1   26    4    5 o   47.804   6.7007   17.801   4.6447   16.069   5.2286   24.284   10.115   44.943   8.1008   53.547   12.836 -8.604279 15.17831 
1 1 1   26    4    6 o   62.848   4.3237   29.948   4.0269   33.001   4.9907   24.251   6.8171   65.771   5.1298   55.150   8.5687 10.62130 9.986867 
1 1 1   26    4    7 f   79.854   3.6283   48.016   4.3198   52.955   5.6741   41.207   6.6626   83.495   4.5753   73.050   6.1750 10.44527 7.685349 
1 1 1   26    4    8 o   41.454   7.7233   13.874   4.5979   15.026   4.8726   4.5151   13.888   43.123   7.8685   34.621   14.894 8.501743 16.84517 
1 1 1   26    4    9 o   41.693   7.3096   14.070   4.3782   6.9220   5.5239   26.149   7.1803   29.482   10.256   56.278   8.8492 -26.79627 13.54618 
1 1 1   26    4   10 o   60.530   4.3245   28.185   3.8771   29.030   5.3948   27.283   5.5759   60.559   6.0560   58.431   6.5110 2.127701 8.892093 
1 1 1   26    4   11 o   79.109   4.3454   48.407   5.1057   52.439   7.5804   45.058   6.9076   80.731   6.3489   74.897   6.2426 5.833923 8.903861 
1 1 1   26    4   12 o   13.757   6.4325  -2.4692   3.2795  -1.9757   4.8428  -2.8871   4.4569   17.514   8.0585   16.086   7.5140 1.427624 11.01815 
1 1 1   26    4   13 o   15.768   7.0905  -0.6135   3.4886  -8.2708   4.8168   7.8348   5.0595   13.564   6.6845   28.389   9.8190 -14.82445 11.87839 
1 1 1   26    5    0 o  173.702   3.0972  225.599   8.0156  225.599   8.0156  225.599   8.0156  173.702   3.0972  173.702   3.0972 0.000000 0.000000 
1 1 1   26    5    1 o   88.904   2.7870   59.182   3.6942   58.113   5.0074   60.458   5.4723   87.929   3.8195   89.631   4.0949 -1.701515 5.599715 
1 1 1   26    5    2 o  123.130   2.4924  113.430   4.5756  113.371   5.8814  113.521   7.2828  122.954   3.2083  122.840   3.9764 0.1138077 5.109247 
1 1 1   26    5    3 o   59.702   4.1614   26.975   3.6811   31.612   4.5221   17.868   6.3377   64.517   4.7340   46.999   9.3730 17.51865 10.50069 
1 1 1   26    5    4 o   51.174   6.2633   20.289   4.6791   24.105   5.2328   5.0654   10.452   55.794   6.4065   32.873   13.439 22.92087 14.88779 
1 1 1   26    5    5 o   41.613   7.0228   13.686   4.2021   15.285   4.3466  -9.1809   16.435   44.091   6.8329   31.146   14.508 12.94563 16.03688 
1 1 1   26    5    6 o  102.136   4.2029   78.865   6.4002   78.352   8.8942   79.415   9.2169  100.948   5.9355  101.537   6.1168 -0.5896988 8.523188 
1 1 1   26    5    7 o   23.681   8.4904   3.9599   3.8079   4.3576   4.5296   3.0014   7.0314   25.132   9.2242   26.609   10.967 -1.476871 14.33041 
1 1 1   26    5    8 o   16.601   7.2753  -0.4416   3.4438   1.0967   4.9064  -1.9355   4.8349   21.298   8.9958   18.260   8.2665 3.037582 12.21721 
1 1 1   26    5    9 o   20.944   8.0033   2.7742   3.4824  -2.6558   4.6821   9.4971   5.2098   17.189   7.9146   33.027   9.8416 -15.83805 12.62923 
1 1 1   26    5   10 o   46.927   5.3102   17.415   3.6500   19.869   5.1540   14.945   5.1698   49.011   7.2738   41.573   8.6232 7.438286 11.28125 
1 1 1   26    5   11 o   60.541   4.3566   28.580   3.9062   32.513   7.5360   27.136   4.5676   61.093   8.5039   58.372   5.3063 2.721550 10.02362 
1 1 1   26    5   12 o   60.844   3.8608   28.797   3.4843   28.583   5.2297   28.968   4.6724   58.899   6.0408   59.963   5.2801 -1.064075 8.023114 
1 1 1   26    5   13 o   25.950   8.2577   6.3504   3.5962   2.6433   4.7729   11.218   5.4694   20.921   8.8567   32.661   10.155 -11.73971 13.47482 
1 1 1   26    6    0 o   64.912   4.7180   32.074   4.5107   32.074   4.5107   32.074   4.5107   64.912   4.7180   64.912   4.7180 0.000000 0.000000 
1 1 1   26    6    1 o   20.265   7.2404   2.7592   2.7669   4.8183   3.8119   0.4663   4.0224   25.411   8.5283   19.224   8.1341 6.186569 11.78539 
1 1 1   26    6    2 o   48.464   4.8904   17.968   3.4854   13.992   4.2223   26.473   6.1750   42.125   6.9661   58.141   7.2832 -16.01548 10.07825 
1 1 1   26    6    3 o   83.276   3.2032   52.082   3.9772   54.477   4.7834   46.717   7.1584   85.048   3.7723   77.854   6.2188 7.194733 7.273462 
1 1 1   26    6    4 o  109.673   3.3854   90.470   5.5358   94.140   5.7965   52.393   18.669  111.849   3.4758   74.710   17.126 37.13931 17.47534 
1 1 1   26    6    5 o   55.706   5.2947   23.889   4.3447   21.898   4.4765   56.220   18.039   53.167   5.7381   77.815   16.080 -24.64831 17.07277 
1 1 1   26    6    6 o   58.793   4.6053   26.455   4.0047   27.853   4.8027   23.266   7.2545   60.040   5.4236   52.933   9.5431 7.107746 10.97665 
1 1 1   26    6    7 o   37.047   6.5902   11.017   3.5068   17.267   4.6338   2.6403   5.3647   46.445   6.9013   23.707   9.6526 22.73874 11.86595 
1 1 1   26    6    8 o   92.758   3.2147   65.076   4.4459   71.515   6.7222   60.070   5.9275   96.471   4.6735   88.401   4.5123 8.070114 6.496366 
1 1 1   26    6    9 o   23.687   8.0176   4.5273   3.3693   2.8124   4.4463   6.8399   5.1634   22.091   8.8611   28.355   9.9130 -6.264275 13.29614 
1 1 1   26    6   10 o   37.486   5.8961   11.455   3.1865   8.7680   4.6077   13.917   4.4116   31.036   9.2570   40.335   7.6149 -9.298660 11.98659 
1 1 1   26    6   11 o   40.763   5.7466   13.627   3.3957   21.195   5.1276   7.7145   4.5320   49.890   7.0930   28.715   9.2841 21.17560 11.68358 
1 1 1   26    6   12 o   16.252   7.1152   0.3199   3.2865  -0.0090   4.5474   0.6796   4.7551   18.115   8.1246   19.054   8.4413 -0.9392147 11.71602 
1 1 1   26    7    0 f   14.290   8.5398   1.6752   3.2273   1.6752   3.2273   1.6752   3.2273   14.290   8.5398   14.290   8.5398 0.000000 0.000000 
1 1 1   26    7    1 o   16.870   6.5762   1.4218   2.3854   1.1137   3.1373   1.8440   3.6727   18.062   7.3709   20.228   8.0744 -2.165888 10.93285 
1 1 1   26    7    2 o   23.431   7.0791   4.3170   2.6819   8.0002   3.3901  -1.8433   4.3843   31.459   7.3587   17.540   7.9123 13.91924 10.80535 
1 1 1   26    7    3 o   76.217   3.3372   43.734   3.7924   48.309   4.5743   33.675   6.7824   79.979   3.8360   65.449   7.0623 14.53091 8.036869 
1 1 1   26    7    4 o   37.057   7.4370   11.115   3.9662   11.911   4.0726  -3.5273   17.467   38.414   7.3788   33.347   15.329 5.067223 17.01260 
1 1 1   26    7    5 f   36.984   6.3125   10.890   3.3559   11.691   4.1951   9.4657   5.5925   37.826   7.7003   33.454   10.247 4.372120 12.81790 
1 1 1   26    7    6 o   34.328   6.5304   9.5101   3.2202   5.8720   4.3813   13.785   4.7491   27.090   9.1429   40.797   8.0934 -13.70618 12.21046 
1 1 1   26    7    7 o   44.968   6.1872   16.163   4.0385   5.7917   8.9233   18.834   4.5288   29.991   12.357   48.473   6.4247 -18.48154 13.92742 
1 1 1   26    7    8 o   16.036   6.8400   0.3929   2.8843   4.4247   4.1810  -3.2681   3.9841   24.078   8.8584   15.008   7.0403 9.070566 11.31531 
1 1 1   26    7    9 o   42.259   5.2297   14.260   3.2247   15.694   5.1097   13.311   4.1572   42.328   8.3931   39.620   7.3065 2.707325 11.12784 
1 1 1   26    7   10 o   32.580   6.6006   9.0179   3.0964   9.0853   4.6134   8.9626   4.1771   31.071   9.2617   31.218   8.6669 -0.1471157 12.68441 
1 1 1   26    7   11 o   27.161   7.8092   6.7551   3.3312   8.8554   5.5290   5.5582   4.1738   29.434   10.260   24.677   8.8846 4.757801 13.57203 
1 1 1   26    7   12 o   10.230   5.1157  -7.7148   3.2547  -4.7107   5.4217  -9.4073   4.0695   15.966   7.6892   11.373   5.6922 4.593069 9.566898 
1 1 1   26    8    0 o   46.997   4.8799   17.127   3.3349   17.127   3.3349   17.127   3.3349   46.997   4.8799   46.997   4.8799 0.000000 0.000000 
1 1 1   26    8    1 o   18.253   7.3646   1.3730   3.0909   8.5455   8.3478   0.2335   3.3274   33.370   12.471   17.187   7.3393 16.18291 14.47008 
1 1 1   26    8    2 o   82.421   2.8400   51.073   3.4900   48.835   4.4098   54.824   5.7096   80.366   3.6802   84.730   4.5360 -4.364281 5.841177 
1 1 1   26    8    3 o   78.700   3.1220   46.677   3.6634   49.387   4.5944   41.948   6.0700   80.737   3.8167   73.554   5.5765 7.182961 6.757540 
1 1 1   26    8    4 o   19.688   7.3714   2.4815   2.9193   2.0733   3.5898   3.2785   5.0163   20.150   8.0019   23.930   9.4729 -3.780262 12.40024 
1 1 1   26    8    5 o   52.347   4.5494   21.152   3.5154   22.142   4.5931   19.751   5.4622   52.960   5.9181   49.055   7.7236 3.905239 9.730210 
1 1 1   26    8    6 o   91.474   3.1833   63.385   4.3416   66.339   6.0221   60.187   6.2650   92.947   4.3455   88.145   4.7850 4.801979 6.463675 
1 1 1   26    8    7 o   13.819   6.2714  -1.2213   2.8035   2.6820   4.1760  -4.4238   3.7826   21.454   8.5938   13.679   6.5443 7.775069 10.80189 
1 1 1   26    8    8 o   13.831   6.3898  -1.8708   3.0893   2.1979   4.9703  -4.4321   3.9436   21.639   9.0925   13.945   6.6745 7.694025 11.27931 
1 1 1   26    8    9 o   13.913   6.3239  -1.0923   2.8644  -3.0080   4.1562   0.6407   3.9531   15.247   7.1649   18.122   7.8708 -2.874782 10.64357 
1 1 1   26    8   10 o   21.318   7.6294   3.8187   3.0734   1.7454   4.5343   5.5808   4.1802   19.891   8.5327   24.722   8.8924 -4.830744 12.32407 
1 1 1   26    8   11 o   34.374   6.3755   10.308   3.1472   8.6450   4.8320   11.532   4.1476   28.744   9.6021   34.853   8.1304 -6.109430 12.58185 
1 1 1   26    9    0 o   86.524   3.5236   56.403   4.5285   56.403   4.5285   56.403   4.5285   86.524   3.5236   86.524   3.5236 0.000000 0.000000 
1 1 1   26    9    1 o   27.229   4.6011   5.8224   1.8014   4.0165   2.6738   7.3233   2.4376   22.493   7.1165   30.299   5.6023 -7.805660 9.057058 
1 1 1   26    9    2 o   75.565   2.3903   42.899   2.6931   48.072   3.9822   38.539   3.6558   79.695   3.3513   71.329   3.4376 8.366104 4.800848 
1 1 1   26    9    3 o   11.996   5.4978  -1.3806   2.2238  -1.9078   3.1099  -0.8290   3.1812   14.078   6.4704   15.381   6.8541 -1.302188 9.425717 
1 1 1   26    9    4 o   65.157   3.1128   32.136   3.0240   39.552   4.4715   25.886   4.1050   71.728   4.1995   57.694   4.8162 14.03352 6.389924 
1 1 1   26    9    5 o   45.473   4.8374   16.214   3.2294   16.487   4.3449   15.877   4.8271   44.896   6.6957   43.425   7.7391 1.470432 10.23359 
1 1 1   26    9    6 o   41.464   5.3087   13.727   3.2065   13.196   4.0988   14.564   5.1479   39.592   7.2090   40.591   8.7628 -0.9988480 11.34710 
1 1 1   26    9    7 o   51.453   4.2142   20.672   3.2046   21.876   5.3023   19.980   4.0224   50.871   7.1912   49.798   5.5099 1.073097 9.059407 
1 1 1   26    9    8 o   30.099   8.4977   8.3544   3.9806  -8.2970   6.6587   17.614   4.9655   16.813   8.1956   44.808   7.7108 -27.99507 11.25271 
1 1 1   26    9    9 o   32.866   6.5799   9.3539   3.1118   5.6226   4.5371   12.668   4.2760   24.775   9.2066   37.275   7.9372 -12.50077 12.15563 
1 1 1   26    9   10 o   33.807   8.1107   10.875   4.0358   11.619   5.5683   10.052   5.8577   32.581   10.266   29.947   10.552 2.633364 14.72206 
1 1 1   26   10    0 o   15.900   11.594 -32.6586   16.269 -32.6586   16.269 -32.6586   16.269   15.900   11.594   15.900   11.594 0.000000 0.000000 
1 1 1   26   10    1 o   37.924   3.4505   11.026   1.9297   0.0000   0.0000   11.026   1.9297  ?   ?    37.924   3.4505 0.000000 3.450480 
1 1 1   26   10    2 f   36.047   4.6844   10.212   2.4582   0.0000   0.0000   10.212   2.4582  ?   ?    36.047   4.6844 0.000000 4.684430 
1 1 1   26   10    3 o   30.101   4.2004   7.1004   1.8338   9.1767   2.3453   3.8340   2.9416   34.080   4.7442   21.944   7.4912 12.13646 8.867093 
1 1 1   26   10    4 f   56.394   2.9693   24.204   2.4879   30.572   3.6899   18.895   3.3688   62.919   3.9534   49.064   4.6612 13.85506 6.111960 
1 1 1   26   10    5 o   34.259   5.5936   9.5605   2.7585   15.722   3.7486   2.2827   4.0740   43.935   5.8693   20.470   8.3819 23.46445 10.23255 
1 1 1   26   10    6 o   23.192   7.6214   4.6188   3.0484   15.140   4.5249  -4.1248   4.1249   41.736   7.5496   14.425   6.8827 27.31045 10.21610 
1 1 1   26   10    7 o   35.261   5.5519   10.262   2.8222   14.256   4.3904   7.4503   3.6843   40.117   7.6187   28.424   8.2245 11.69338 11.21102 
1 1 1   26   10    8 f   19.168   7.3847   2.7425   2.9808   11.144   5.0133  -1.8515   3.7072   33.194   9.5907   14.920   6.9300 18.27450 11.83242 
1 1 1   26   10    9 o   14.407   6.5341  -0.6553   3.0371   1.7971   5.0277  -2.0644   3.8110   19.936   8.7625   14.762   6.9124 5.174448 11.16073 
1 1 1   26   11    0 o   11.205   8.1711 -17.2667   8.0996 -17.2667   8.0996 -17.2667   8.0996   11.205   8.1711   11.205   8.1711 0.000000 0.000000 
1 1 1   26   11    1 o   20.573   9.3890  -1.2472   6.3955   12.650   13.259  -5.4607   7.3009   34.296   14.648   19.387   9.2244 14.90881 17.31071 
1 1 1   26   11    2 o   17.440   5.0279   2.4628   1.3792   12.608   12.163   2.3306   1.3882   33.961   14.244   17.019   5.0821 16.94194 15.12374 
1 1 1   26   11    3 o   36.190   6.3144   10.936   3.2832   13.852   13.244   10.745   3.3890   34.288   14.642   35.688   6.6126 -1.400204 16.06598 
1 1 1   26   11    4 o   42.324   4.7912   14.304   2.9702   13.831   12.405   14.333   3.0592   33.714   14.276   42.277   4.9467 -8.563026 15.10829 
1 1 1   26   11    5 o   22.004   8.4968   3.7951   3.9531  -1.5128   13.160   4.3215   4.1445   25.642   12.251   22.923   8.7378 2.718178 15.04777 
1 1 1   26   11    6 o   34.284   8.5520   11.118   4.3570   10.027   12.450   11.270   4.6511   29.764   13.389   34.103   9.0116 -4.339596 16.13898 
1 1 1   26   11    7 o   20.716   8.4272   3.1638   4.0845   7.6207   12.268   2.6082   4.3316   27.553   12.731   20.261   8.4994 7.292061 15.30721 
1 1 1   26   11    8 o   21.779   8.2727   4.3111   3.7070   11.786   10.610   3.2719   3.9563   28.688   12.664   20.399   8.2956 8.289448 15.13944 
1 1 1   26   12    0 f   29.234   15.096   11.606   8.4484   11.606   8.4484   11.606   8.4484   29.234   15.096   29.234   15.096 0.000000 0.000000 
1 1 1   26   12    1 f   51.486   9.8920   25.595   7.3176   28.463   13.137   24.305   8.8110   43.727   15.760   46.689   12.435 -2.962826 20.07521 
1 1 1   26   12    2 o   23.673   11.050  -0.2484   9.6105   24.552   14.471 -19.8187   12.855   38.712   15.818   20.224   10.122 18.48777 18.77928 
1 1 1   26   12    3 o   28.929   5.6693   7.0331   2.3579  -2.1184   7.3521   8.0822   2.4894   20.411   9.5715   31.120   5.5696 -10.70896 11.07403 
1 1 1   26   12    4 o   29.353   5.4146   7.2028   2.2824   9.6541   7.3394   6.9404   2.4014   29.390   11.513   28.560   5.8367 0.8299294 12.90826 
1 1 1   26   12    5 o   23.034   7.9345   4.8729   3.3021   12.841   7.6392   3.0421   3.6619   32.181   11.949   20.153   8.0564 12.02855 14.41103 
1 1 1   26   12    6 o   16.293   7.2273   0.3115   3.4966  -0.8554   7.0599   0.6908   4.0249   20.005   9.3806   17.534   7.7670 2.471655 12.17878 
1 1 1   26   12    7 o   15.998   7.3766  -0.8344   4.0871  -1.3244   6.6406  -0.5356   5.1857   18.922   8.9420   17.794   8.2411 1.127363 12.16037 
1 1 1   26   13    0 o   23.427   13.653   7.3519   7.8918   7.3519   7.8918   7.3519   7.8918   23.427   13.653   23.427   13.653 0.000000 0.000000 
1 1 1   26   13    1 o   21.685   9.2707   3.1526   5.3203   6.4592   7.2095  -0.8016   7.8839   25.710   10.885   21.107   9.9023 4.603245 14.71500 
1 1 1   26   13    2 o   33.359   10.025   11.972   5.3889   15.773   7.5113   7.9399   7.7357   35.538   11.971   26.911   11.327 8.626333 16.48100 
1 1 1   26   13    3 o   21.416   9.1496   3.2402   5.1758   0.0433   7.0758   6.9191   7.5906   20.583   9.5651   25.753   11.044 -5.170645 14.60994 
1 1 1   26   13    4 o   16.244   6.6168   1.5897   2.5221   6.9844   7.0080   0.7870   2.7033   25.385   10.738   15.342   6.5850 10.04343 12.59663 
1 1 1   26   13    5 o   18.297   6.7427   2.8259   2.4238   18.186   7.1908   0.8570   2.5745   37.567   11.638   15.086   6.4492 22.48105 13.30571 
1 1 1   26   13    6 o   47.948   5.4468   19.766   3.8247   11.697   7.1403   23.013   4.5294   28.670   11.317   50.964   6.0809 -22.29432 12.84713 
1 1 1   26   14    0 o   28.967   14.351   11.971   7.4689   11.971   7.4689   11.971   7.4689   28.967   14.351   28.967   14.351 0.000000 0.000000 
1 1 1   26   14    1 o   26.214   9.8391   7.8978   5.2074   15.205   7.3431   0.5051   7.3858   33.107   11.799   20.407   9.5771 12.70015 15.19644 
1 1 1   26   14    2 o   20.502   9.0068   2.9445   5.3061   6.7035   7.2938  -1.2813   7.7334   24.334   10.628   19.646   9.3877 4.687889 14.18034 
1 1 1   26   14    3 o   32.200   9.9442   12.228   5.2545   18.234   7.2614   5.6250   7.6130   36.417   11.750   23.280   10.471 13.13615 15.73848 
1 1 1   26   14    4 o   18.941   8.6065   1.5879   5.3002   13.859   7.2607 -12.4107   7.7548   30.319   11.563   15.429   7.7415 14.89091 13.91547 
1 1 1   27    1    0 o   30.509   18.967   6.0964   17.367   6.0964   17.367   6.0964   17.367   30.509   18.967   30.509   18.967 0.000000 0.000000 
1 1 1   27    1    1 o   39.328   11.368   12.501   7.0421  -0.3552   14.239   16.664   8.1024   33.924   14.832   45.068   11.887 -11.14359 19.00785 
1 1 1   27    1    2 o   77.140   4.3015   44.865   4.9276   43.102   7.1315   46.475   6.8165   75.084   6.4325   78.138   5.8943 -3.054939 8.724722 
1 1 1   27    1    3 o   74.720   3.5985   41.868   4.0089   43.504   4.9472   38.739   6.8415   75.933   4.3885   71.115   6.5252 4.818436 7.863610 
1 1 1   27    1    4 o  149.975   2.6350  168.232   5.8920  160.763   7.1353  184.240   10.446  146.478   3.2672  156.462   4.4780 -9.983902 5.543161 
1 1 1   27    1    5 o  151.671   2.6491  172.100   5.9906  168.600   7.4237  178.634   10.143  149.969   3.3201  154.040   4.4164 -4.070129 5.525179 
1 1 1   27    1    6 o   77.076   3.8243   44.645   4.3948   41.811   5.5072   49.614   7.2927   74.217   5.0061   80.534   6.1193 -6.317482 7.906116 
1 1 1   27    1    7 o   32.108   8.6597   8.3194   4.2407   9.2364   5.7257   7.2052   6.3116   33.870   10.367   31.226   10.957 2.643290 15.08476 
1 1 1   27    1    8 o   75.778   4.1415   43.472   4.6615   43.134   6.8181   43.770   6.3876   74.793   6.1691   75.522   5.7150 -0.7293701 8.409526 
1 1 1   27    1    9 o   51.866   5.6717   20.855   4.3145   32.820   6.7465   12.575   5.6122   64.557   7.1280   38.738   9.7299 25.81851 12.06147 
1 1 1   27    1   10 o   64.473   4.7553   31.950   4.5389   28.723   7.2300   34.050   5.8312   59.266   8.4188   65.999   5.9911 -6.733822 10.33291 
1 1 1   27    1   11 o   22.062   8.4916   3.1314   3.9383   7.3238   6.4607   0.6525   4.9680   29.920   11.011   20.619   8.8894 9.301149 14.15148 
1 1 1   27    1   12 o   16.504   7.4475  -1.1578   3.8879  -3.0101   4.8736   2.0846   6.4479   17.025   7.9204   23.646   10.160 -6.621468 12.88260 
1 1 1   27    1   13 o   19.148   7.5432   2.3095   3.1664  -1.5930   4.6484   5.6878   4.3249   17.390   7.9622   25.558   9.0607 -8.167303 12.06198 
1 1 1   27    1   14 o   41.877   7.0515   15.268   4.2464   11.687   6.7075   17.663   5.4856   32.639   11.305   43.477   8.7651 -10.83760 14.30471 
1 1 1   27    2    0 o   85.482   5.6657   55.502   7.1482   55.502   7.1482   55.502   7.1482   85.482   5.6657   85.482   5.6657 0.000000 0.000000 
1 1 1   27    2    1 o   63.425   4.5927   30.447   4.3137   33.851   6.3923   27.600   5.8453   66.403   6.5414   59.865   6.6619 6.538673 9.336514 
1 1 1   27    2    2 o   52.623   6.1339   21.292   4.7224   18.383   5.5976   28.474   8.7957   48.309   8.0552   59.557   10.277 -11.24825 13.05738 
1 1 1   27    2    3 o   16.931   8.0660  -6.8949   5.6189   8.3808   13.725  -9.9706   6.1587   38.858   15.575   16.503   8.0075 22.35497 17.51273 
1 1 1   27    2    4 o   71.771   4.5880   38.983   4.8839   45.407   6.2991   29.302   7.7333   77.238   5.5059   60.918   8.7668 16.31986 10.35241 
1 1 1   27    2    5 o   30.854   8.5472   7.6235   4.0672   3.8691   5.3206   12.902   6.3085   25.836   9.8878   39.653   10.503 -13.81691 14.42526 
1 1 1   27    2    6 o   71.682   4.3815   38.912   4.6603   43.202   6.2961   33.712   6.9308   75.165   5.6595   65.828   7.1780 9.337646 9.140768 
1 1 1   27    2    7 o   66.457   9.3083   35.541   8.9702   0.0000   0.0000   35.541   8.9702  ?   ?    66.457   9.3083 0.000000 9.308330 
1 1 1   27    2    8 o   21.975   8.4672   2.7668   3.9190   6.6420   5.4756  -1.3032   5.6115   29.437   10.213   20.519   9.1262 8.918295 13.69647 
1 1 1   27    2    9 o   90.088   4.5566   61.999   6.1005   55.650   9.0731   67.237   8.2416   83.744   7.3407   93.032   5.9732 -9.288383 9.463901 
1 1 1   27    2   10 o   60.832   5.6933   29.031   5.1037   34.219   11.757   27.827   5.6654   59.925   13.484   59.085   6.5407 0.8391418 14.98703 
1 1 1   27    2   11 o   73.715   3.7171   41.591   4.0721   42.967   5.8256   40.276   5.6944   73.936   5.3202   71.532   5.3786 2.404152 7.565312 
1 1 1   27    2   12 o   19.844   8.0793   2.1100   3.7580  -1.1908   4.8613   7.0120   5.9243   18.227   8.2668   28.176   10.510 -9.948866 13.37188 
1 1 1   27    2   13 o   64.465   3.9396   32.399   3.7684   34.872   5.4921   30.200   5.1801   65.375   5.6913   60.721   5.7920 4.653408 8.120227 
1 1 1   27    3    0 o   14.908   9.4446   0.6868   4.5294   0.6868   4.5294   0.6868   4.5294   14.908   9.4446   14.908   9.4446 0.000000 0.000000 
1 1 1   27    3    1 o   66.652   4.1626   33.554   4.1159   36.599   6.0638   30.952   5.6048   69.173   5.9370   63.561   5.9848 5.612835 8.430003 
1 1 1   27    3    2 o   94.009   3.3721   66.296   4.7265   67.719   6.4497   64.645   6.9465   94.767   4.5647   92.338   5.0650 2.428917 6.818382 
1 1 1   27    3    3 o   32.060   8.8348   8.2603   4.3585   6.7134   4.9147   13.958   9.4323   29.584   9.6750   41.280   13.399 -11.69607 16.52655 
1 1 1   27    3    4 o  123.780   4.2816  115.497   7.9018  111.744   16.462  116.621   9.0073  118.989   9.3547  124.182   4.8648 -5.192688 10.54402 
1 1 1   27    3    5 o   73.643   4.8682   41.237   5.3150   39.222   6.3317   46.047   9.7801   71.449   5.9991   76.246   8.7624 -4.796570 10.61926 
1 1 1   27    3    6 o   17.712   7.7974  -0.7892   3.9954  -2.2739   5.1858   1.3793   6.2671   18.970   8.5770   24.216   10.194 -5.246243 13.32259 
1 1 1   27    3    7 o   63.370   7.0631   31.565   6.5599   0.0000   0.0000   31.565   6.5599  ?   ?    63.370   7.0631 0.000000 7.063133 
1 1 1   27    3    8 o   35.668   8.4530   10.554   4.4266   5.6220   7.1280   13.651   5.6475   29.224   11.375   40.198   9.5621 -10.97349 14.85984 
1 1 1   27    3    9 o  118.125   2.8921  105.156   5.0936  102.380   6.8714  108.542   7.5888  116.002   3.9729  119.256   4.2680 -3.254860 5.830906 
1 1 1   27    3   10 o   13.267   6.3373  -4.1478   3.5172  -7.0294   5.1981  -1.7146   4.7767   15.379   7.4369   17.987   8.1720 -2.607519 11.04932 
1 1 1   27    3   11 o   80.986   3.2473   49.957   3.9210   56.176   6.0195   45.374   5.1677   84.714   4.7853   76.276   4.5650 8.438347 6.613533 
1 1 1   27    3   12 o   36.749   6.2359   11.271   3.2946   17.664   5.0245   6.4489   4.3637   44.985   7.7724   26.664   9.1239 18.32034 11.98567 
1 1 1   27    3   13 o   51.689   4.7257   21.455   3.6017   22.601   5.3342   20.494   4.8828   50.755   7.2553   48.614   6.9329 2.140602 10.03516 
1 1 1   27    4    0 o   14.845   9.1920   1.2484   4.0384   1.2484   4.0384   1.2484   4.0384   14.845   9.1920   14.845   9.1920 0.000000 0.000000 
1 1 1   27    4    1 o   53.077   4.1688   21.354   3.2724   20.350   4.4896   22.492   4.7799   51.358   5.9747   54.008   6.0394 -2.649414 8.495359 
1 1 1   27    4    2 o   80.135   3.2277   48.191   3.8565   46.917   4.7958   50.522   6.4875   78.808   4.0957   81.408   5.3751 -2.600067 6.757710 
1 1 1   27    4    3 o  123.267   2.6936  113.826   4.9506  113.503   6.2983  114.348   8.0079  122.906   3.4370  123.067   4.3642 -0.1614151 5.555150 
1 1 1   27    4    4 o   59.850   5.2160   27.420   4.6080   30.807   5.8102   21.678   7.5650   63.117   6.2566   51.265   10.255 11.85178 12.01320 
1 1 1   27    4    5 o   47.138   9.5514   18.289   6.4829   10.605   13.501   20.592   7.3908   39.023   15.511   49.744   10.304 -10.72084 18.62176 
1 1 1   27    4    6 o  110.505   3.6074   92.104   5.9435   96.212   7.4836   85.086   9.7810  112.598   4.4577  104.810   6.2882 7.788078 7.707940 
1 1 1   27    4    7 o   35.788   7.1672   10.373   3.6910   10.456   4.7825   10.251   5.8045   35.303   9.0452   34.708   10.399 0.5952911 13.78203 
1 1 1   27    4    8 f   40.637   7.1362   13.423   4.1660   7.4366   4.8567   30.095   8.1051   29.808   9.6082   59.750   9.4093 -29.94119 13.44814 
1 1 1   27    4    9 o   44.390   5.6225   15.634   3.6378   11.949   4.9695   19.889   5.3398   37.019   9.0740   49.059   7.5416 -12.04039 11.79889 
1 1 1   27    4   10 o   38.035   6.0012   11.766   3.2903   11.579   4.7212   11.943   4.5882   36.096   8.8422   36.879   8.5163 -0.7826347 12.27652 
1 1 1   27    4   11 o   28.756   8.0632   7.3752   3.5967   8.2961   4.7601   6.1499   5.4906   29.805   9.5023   26.617   10.078 3.187826 13.85151 
1 1 1   27    4   12 f   46.870   4.8866   17.673   3.3646   17.247   4.9726   18.032   4.5695   43.898   7.8874   45.772   6.9109 -1.873962 10.48675 
1 1 1   27    5    0 o   12.474   8.1624  -0.4193   3.7581  -0.4193   3.7581  -0.4193   3.7581   12.474   8.1624   12.474   8.1624 0.000000 0.000000 
1 1 1   27    5    1 o   39.201   5.1807   11.873   2.9538   15.046   3.9519   7.8556   4.4464   43.908   6.2098   31.139   9.0423 12.76882 10.96927 
1 1 1   27    5    2 o   89.649   3.8852   60.605   5.1932   53.314   8.6067   64.779   6.5122   82.748   7.0430   92.310   4.7477 -9.562241 8.493804 
1 1 1   27    5    3 o   16.512   7.2341  -0.5561   3.4027  -3.4201   4.1357   5.4444   5.9863   15.657   7.2882   28.326   10.565 -12.66859 12.83537 
1 1 1   27    5    4 o   48.867   5.6587   18.520   4.0466   16.243   4.4412   29.653   9.8203   45.342   6.7773   58.974   11.582 -13.63177 13.41898 
1 1 1   27    5    5 f   58.034   4.8479   25.845   4.1563   26.439   4.8836   24.284   7.9163   58.396   5.6809   53.728   10.256 4.668114 11.72453 
1 1 1   27    5    6 o   68.141   4.8967   35.702   4.9417   38.119   7.6914   34.003   6.4489   68.994   7.6032   65.643   6.6824 3.351578 10.12235 
1 1 1   27    5    7 o   33.243   8.2753   9.3013   4.0855   13.298   5.0286   1.5410   7.0074   39.647   8.7419   24.659   10.593 14.98833 13.73473 
1 1 1   27    5    8 o   68.078   3.5154   35.320   3.5561   42.961   5.2981   29.056   4.7972   74.418   4.8006   60.857   5.3409 13.56033 7.181302 
1 1 1   27    5    9 o   72.036   3.3356   39.521   3.5825   41.861   5.3777   37.655   4.8038   73.058   4.9664   69.479   4.6643 3.578934 6.813245 
1 1 1   27    5   10 f   15.144   6.8716  -1.1579   3.3639  -9.0492   5.3891   3.8795   4.3057   14.512   7.1359   22.856   8.8559 -8.343867 11.37313 
1 1 1   27    5   11 o   24.287   8.6245   5.2196   3.9201   0.6922   6.1666   8.2902   5.0784   21.144   9.4738   29.118   9.8433 -7.973572 13.66176 
1 1 1   27    5   12 o   35.787   6.8746   11.316   3.5349   13.466   5.0194   9.2008   4.9790   36.900   9.1648   29.782   9.7379 7.117599 13.37239 
1 1 1   27    6    0 o   10.147   7.0664  -3.4512   3.8349  -3.4512   3.8349  -3.4512   3.8349   10.147   7.0664   10.147   7.0664 0.000000 0.000000 
1 1 1   27    6    1 o   40.918   5.1090   12.958   3.0489   16.384   3.9461   7.8824   4.8027   45.820   5.9142   31.041   9.4941 14.77916 11.18548 
1 1 1   27    6    2 o  104.320   2.6494   81.662   4.1208   88.112   5.3219   72.005   6.5121  108.167   3.2999   97.367   4.4858 10.80065 5.568807 
1 1 1   27    6    3 o   22.400   7.6145   3.7467   3.0392   6.7874   3.7616  -1.9694   5.1575   28.806   8.3031   18.982   8.5706 9.824739 11.93301 
1 1 1   27    6    4 o   84.934   3.6915   54.569   4.6747   56.702   5.2067   45.699   10.615   86.455   4.0393   74.066   9.8577 12.38898 10.65313 
1 1 1   27    6    5 o   32.100   7.7493   8.5371   3.6667   5.4271   4.0997   20.970   8.1971   26.200   8.8442   48.496   11.509 -22.29602 14.51493 
1 1 1   27    6    6 o   41.874   6.4991   14.104   3.9260   19.051   4.7619   3.6045   6.9376   48.657   6.7453   26.342   10.879 22.31532 12.80046 
1 1 1   27    6    7 o   47.469   5.0233   17.667   3.5012   20.531   4.6959   14.081   5.2537   50.489   6.3805   40.237   8.9843 10.25208 11.01952 
1 1 1   27    6    8 o   32.889   6.3950   8.9462   3.0230   5.2084   4.2908   12.630   4.2597   25.201   9.0152   38.476   7.6941 -13.27476 11.85215 
1 1 1   27    6    9 o   32.149   7.1951   8.9004   3.3627   5.5441   4.4589   13.327   5.1208   25.429   9.1792   38.113   9.1312 -12.68464 12.94750 
1 1 1   27    6   10 o   27.790   7.4905   6.8879   3.1740   6.3589   4.5463   7.3911   4.4333   26.260   9.2918   27.969   9.1910 -1.708902 13.06950 
1 1 1   27    6   11 o   36.489   6.9955   11.766   3.6673   6.0747   6.7522   14.147   4.3677   25.660   10.676   39.464   7.6995 -13.80372 13.16278 
1 1 1   27    7    0 o   71.534   4.0598   38.764   4.2981   38.764   4.2981   38.764   4.2981   71.534   4.0598   71.534   4.0598 0.000000 0.000000 
1 1 1   27    7    1 o   86.079   2.6449   55.676   3.3945   56.853   4.6381   54.318   4.9814   86.698   3.5881   84.616   3.9484 2.082443 5.335212 
1 1 1   27    7    2 o   34.298   5.4770   9.2775   2.7065   14.242   3.5515   2.4006   4.1801   42.553   5.7445   21.623   8.6197 20.92986 10.35848 
1 1 1   27    7    3 o   96.924   2.7774   70.709   4.0137   87.211   5.2693   47.902   6.1949  107.434   3.2896   78.620   5.3160 28.81427 6.251520 
1 1 1   27    7    4 o   81.115   3.4096   49.833   4.1236   50.643   5.2353   48.508   6.6929   81.273   4.3360   78.724   5.7417 2.549423 7.195034 
1 1 1   27    7    5 o   26.497   7.4103   5.8582   3.0420   3.5789   3.9926   9.0120   4.6966   22.772   8.6009   32.161   9.2801 -9.388681 12.65289 
1 1 1   27    7    6 o   48.164   4.7535   18.139   3.3690   22.121   4.4427   12.750   5.1680   52.691   5.7484   37.932   9.2265 14.75914 10.87069 
1 1 1   27    7    7 o   36.566   7.1861   11.305   3.7781   13.435   6.7943   10.351   4.5457   37.031   11.285   33.974   8.8762 3.057419 14.35778 
1 1 1   27    7    8 o   15.366   6.6726   0.1450   2.8402  -0.5683   4.1824   0.7555   3.8692   17.404   7.7998   18.201   7.8459 -0.7970352 11.06325 
1 1 1   27    7    9 o   12.118   5.7906  -3.2507   2.9422   0.1034   4.2850  -6.2426   4.0471   18.002   7.9924   12.941   6.3260 5.060558 10.19296 
1 1 1   27    7   10 o   28.158   7.4196   7.2320   3.1587   3.5119   4.6190   10.500   4.3292   21.790   8.9239   33.011   8.6804 -11.22119 12.44930 
1 1 1   27    7   11 o   16.624   7.2857   0.6969   3.4542  -4.1004   5.0810   4.8189   4.7099   15.629   7.5058   22.866   9.1382 -7.236388 11.82556 
1 1 1   27    8    0 o   21.048   9.3975   4.9359   3.1332   4.9359   3.1332   4.9359   3.1332   21.048   9.3975   21.048   9.3975 0.000000 0.000000 
1 1 1   27    8    1 o   38.340   4.3578   11.392   2.4468   13.091   3.3663   9.4891   3.5625   40.612   5.7178   33.844   7.2763 6.767300 9.254087 
1 1 1   27    8    2 o   33.448   5.6831   8.9533   2.7328   8.2516   3.5618   9.9575   4.2609   31.323   7.6847   34.139   8.4229 -2.816044 11.40180 
1 1 1   27    8    3 o   55.139   3.9016   23.330   3.1868   26.871   4.0504   17.577   5.1631   58.850   4.6541   45.873   7.8300 12.97714 9.108736 
1 1 1   27    8    4 o   16.930   6.7352   1.4575   2.5474   7.6729   3.7127  -4.0715   3.5017   29.845   8.1251   13.247   6.3262 16.59816 10.29752 
1 1 1   27    8    5 o   83.097   3.0763   52.438   3.8114   60.216   5.1653   43.142   5.6470   88.547   3.9125   74.010   5.1496 14.53693 6.467288 
1 1 1   27    8    6 o   31.139   6.7566   8.2060   3.0468   10.138   4.1409   5.9251   4.4989   33.792   8.2830   26.154   9.2444 7.637436 12.41240 
1 1 1   27    8    7 o   13.500   6.1521  -1.1656   2.7332  -1.2822   3.9054  -1.0537   3.8265   16.131   7.3522   16.176   7.3357 -0.4440117E-01 10.38587 
1 1 1   27    8    8 o   26.809   7.2382   6.3916   2.9609   10.927   4.3488   2.4720   4.0426   34.236   8.5462   20.227   8.3236 14.00881 11.92983 
1 1 1   27    8    9 o   29.591   6.8870   7.7983   2.9815   5.9331   4.4859   9.2742   3.9904   24.968   9.1772   31.141   8.4009 -6.172272 12.44169 
1 1 1   27    8   10 o   24.623   7.8948   5.8372   3.2823   5.7606   4.5831   5.9180   4.7029   24.105   9.1884   24.323   9.2991 -0.2172451 13.07288 
1 1 1   27    9    0 o   48.612   4.7631   18.369   3.3761   18.369   3.3761   18.369   3.3761   48.612   4.7631   48.612   4.7631 0.000000 0.000000 
1 1 1   27    9    1 o   75.968   2.5519   43.555   2.8905   50.268   3.9498   35.815   4.2412   81.299   3.2585   68.064   4.1998 13.23499 5.315606 
1 1 1   27    9    2 o   34.793   3.9868   9.4157   2.0308   11.416   2.9367   7.5830   2.8114   37.763   5.3668   30.199   6.4404 7.564283 8.383389 
1 1 1   27    9    3 o   27.209   5.4522   6.0367   2.1348   9.8348   3.0098   2.1916   3.0283   34.624   6.0504   18.907   7.3986 15.71752 9.557590 
1 1 1   27    9    4 o   38.059   4.3970   11.398   2.4492   13.453   3.5692   9.5693   3.3670   40.473   6.1045   33.559   6.9576 6.914234 9.255970 
1 1 1   27    9    5 o   11.876   5.6200  -2.5865   2.6394  -6.8578   3.4280   3.6324   4.1363   11.255   5.5639   22.227   8.6610 -10.97211 10.29413 
1 1 1   27    9    6 o   39.099   5.2419   12.423   2.9788   10.337   4.0132   14.981   4.4453   33.771   8.0787   41.363   7.4834 -7.592007 11.01214 
1 1 1   27    9    7 o   29.448   6.4935   7.5198   2.7744   10.095   4.1919   5.5127   3.7010   32.704   8.5138   24.541   8.4026 8.162998 11.96190 
1 1 1   27    9    8 o   21.404   8.4431   3.7268   3.9719   7.6239   6.4466   1.3422   5.0427   26.917   10.712   19.745   8.7227 7.172272 13.81457 
1 1 1   27    9    9 o   19.286   7.2385   3.1185   2.8184   2.0335   4.3206   3.9221   3.7184   19.206   8.2849   21.134   8.2183 -1.928352 11.66959 
1 1 1   27   10    0 o   44.038   14.112   20.153   8.1715   20.153   8.1715   20.153   8.1715   44.038   14.112   44.038   14.112 0.000000 0.000000 
1 1 1   27   10    1 o   38.371   3.0517   11.292   1.7314   16.198   7.9302   11.046   1.7742   38.807   12.253   37.908   3.1682 0.8991852 12.65641 
1 1 1   27   10    2 o   14.875   5.8910   1.1835   1.9407  -4.2237   7.1535   1.6131   2.0164   19.567   9.2574   15.923   6.0887 3.643586 11.08020 
1 1 1   27   10    3 o   36.011   4.9584   10.448   2.5916   13.166   7.1540   10.037   2.7805   35.045   11.683   34.988   5.5125 0.5688477E-01 12.91831 
1 1 1   27   10    4 o   13.149   5.6711   0.1438   2.0237   1.2242   2.8930  -0.8915   2.8318   16.811   6.9907   13.970   6.3251 2.841781 9.427447 
1 1 1   27   10    5 o   16.633   6.8728   1.3206   2.7709   1.2062   3.6251   1.4813   4.2975   17.949   7.6625   19.267   8.2872 -1.318489 11.28678 
1 1 1   27   10    6 o   17.899   6.9802   2.2436   2.6883   4.5746   3.5418  -0.9249   4.1293   22.639   8.1797   16.472   7.5277 6.167721 11.11633 
1 1 1   27   10    7 o   48.748   4.6905   19.324   3.3671   22.080   4.3978   15.419   5.2341   50.957   5.8975   39.219   9.1231 11.73749 10.86330 
1 1 1   27   10    8 o   12.178   5.7387  -1.9918   2.7001   0.3276   4.1587  -3.6819   3.5500   17.156   7.7258   12.907   6.2177 4.248536 9.917053 
1 1 1   27   11    0 o   21.404   12.944   5.1878   7.5942   5.1878   7.5942   5.1878   7.5942   21.404   12.944   21.404   12.944 0.000000 0.000000 
1 1 1   27   11    1 o   30.390   10.189   9.4923   5.4410   9.3749   7.2303   9.6457   8.2621   29.518   11.465   29.650   12.013 -0.1320210 16.60631 
1 1 1   27   11    2 f   28.992   10.167   8.6280   5.4335   10.981   7.4326   5.9277   7.9631   31.066   11.735   26.217   11.279 4.848413 16.27612 
1 1 1   27   11    3 o   38.134   5.5997   12.131   3.0890   8.7666   12.098   12.365   3.1949   28.670   13.018   38.393   5.7588 -9.723246 14.23476 
1 1 1   27   11    4 o   22.717   7.1836   4.6540   2.7248   12.937   7.2956   3.3114   2.9373   32.704   11.749   20.021   7.4141 12.68248 13.89303 
1 1 1   27   11    5 o   31.129   8.3177   9.4484   3.9340   11.168   7.0996   8.6866   4.7259   30.184   11.453   28.726   9.4919 1.457504 14.87479 
1 1 1   27   11    6 o   14.226   6.6313  -1.6387   3.4431  -6.2364   6.6868   0.0200   4.0165   16.775   8.1850   16.731   7.5580 0.4364967E-01 11.14078 
1 1 1   27   11    7 o   18.970   7.8772   2.6895   3.6659   1.4016   6.3871   3.3222   4.4766   20.089   9.2477   20.343   8.5927 -0.2533150 12.62353 
1 1 1   27   12    0 o   21.477   14.355   2.2243   12.662   2.2243   12.662   2.2243   12.662   21.477   14.355   21.477   14.355 0.000000 0.000000 
1 1 1   27   12    1 o   25.816   10.469   7.0281   6.2806   6.2670   7.2945   9.2094   12.349   25.208   10.818   27.574   12.752 -2.365446 16.72239 
1 1 1   27   12    2 o   19.361   8.7215   0.9244   5.3048   2.6760   7.1973  -1.1589   7.8492   22.287   10.088   20.532   9.7088 1.754478 14.00099 
1 1 1   27   12    3 o   32.590   9.9698   11.798   5.2958   19.489   7.4776   4.0574   7.5013   39.511   11.794   23.184   10.414 16.32741 15.73400 
1 1 1   27   12    4 o   19.992   6.4812   3.5920   2.2075   1.1530   7.0826   3.8544   2.3232   20.744   9.6157   20.592   6.6462 0.1522903 11.68899 
1 1 1   27   12    5 o   24.403   6.8395   5.6261   2.5885   3.9712   7.0999   5.8798   2.7798   22.193   10.035   24.727   7.1408 -2.534111 12.31626 
1 1 1   27   13    0 o   21.490   12.832   6.3512   7.2737   6.3512   7.2737   6.3512   7.2737   21.490   12.832   21.490   12.832 0.000000 0.000000 
1 1 1   27   13    1 f   13.668   6.7581  -7.4565   5.0663  -4.0662   7.3424 -10.5377   6.9997   17.955   8.7191   15.284   7.6215 2.670439 11.58054 
1 1 1   27   13    2 o   20.537   8.9625   3.3212   5.1775   4.4781   7.4684   2.2508   7.1841   22.394   10.191   20.874   9.6790 1.519247 14.05503 
1 1 1   27   13    3 o   20.873   9.1043   3.7987   5.3366   4.7001   7.2079   2.7051   7.9392   22.204   10.069   21.257   9.9612 0.9474487 14.16368 
1 1 1   28    1    0 o   51.362   7.0110   20.910   5.0857   20.910   5.0857   20.910   5.0857   51.362   7.0110   51.362   7.0110 0.000000 0.000000 
1 1 1   28    1    1 o   44.361   5.4526   15.112   3.5305   19.399   4.7548   9.8443   5.2706   50.062   6.5254   34.934   9.7486 15.12757 11.73098 
1 1 1   28    1    2 o   56.141   4.3935   23.880   3.6482   22.741   4.5324   25.976   6.1482   54.486   5.6620   57.790   7.2982 -3.304550 9.236955 
1 1 1   28    1    3 o   91.491   3.1280   62.743   4.2669   64.922   5.2882   58.679   7.2235   92.942   3.8161   87.802   5.5464 5.140114 6.732381 
1 1 1   28    1    4 o   66.639   4.0601   33.549   4.0147   41.871   5.0194   18.770   6.6889   74.355   4.5495   48.115   9.6596 26.23968 10.67741 
1 1 1   28    1    5 o   64.485   4.5077   31.553   4.3067   32.402   4.9179   28.761   8.9200   65.192   5.1002   59.346   10.463 5.846424 11.64021 
1 1 1   28    1    6 o   77.347   3.9906   45.231   4.5864   49.865   5.3791   32.891   8.7777   81.083   4.4668   63.799   9.5191 17.28396 10.51501 
1 1 1   28    1    7 o   28.349   8.7715   6.4277   4.0860   0.8637   5.5869   12.826   5.9912   22.492   9.5550   39.092   10.179 -16.59984 13.96107 
1 1 1   28    1    8 o   87.630   3.5434   57.970   4.6296   49.552   6.2964   67.878   6.8307   80.244   5.2924   94.179   4.8813 -13.93587 7.199782 
1 1 1   28    1    9 o   32.838   7.6359   8.9304   3.6679   0.6539   4.8366   20.133   5.6270   20.593   8.8226   49.607   7.8707 -29.01343 11.82311 
1 1 1   28    1   10 o   43.574   5.8575   15.147   3.7091   18.113   5.2382   12.165   5.2528   46.616   7.8131   37.152   9.4581 9.463772 12.26789 
1 1 1   28    1   11 o   22.461   8.1509   3.8974   3.5226  -3.7395   4.8311   12.566   5.1472   16.387   7.7084   37.308   9.2892 -20.92035 12.07093 
1 1 1   28    1   12 f   37.354   7.1411   11.967   3.8322   10.994   5.9817   12.644   4.9909   33.271   10.657   36.950   9.1157 -3.679661 14.02357 
1 1 1   28    1   13 o   21.163   7.7512   3.7029   3.1961   2.8494   4.7251   4.4228   4.3395   21.315   8.9047   23.007   8.8973 -1.691961 12.58791 
1 1 1   28    2    0 o   23.007   13.016   5.5106   6.8683   5.5106   6.8683   5.5106   6.8683   23.007   13.016   23.007   13.016 0.000000 0.000000 
1 1 1   28    2    1 o   82.655   4.6030   51.728   5.6501   53.100   7.8317   50.239   8.1593   83.173   6.3637   80.706   6.8452 2.466713 9.346334 
1 1 1   28    2    2 o   20.082   8.3311   1.0152   4.0949  -6.4217   5.9727   7.6113   5.6249   17.872   8.4567   31.362   10.355 -13.48960 13.36945 
1 1 1   28    2    3 o   74.579   4.6110   42.183   5.1020   56.137   7.8459   31.958   6.7159   85.523   6.1950   64.075   7.1519 21.44860 9.461864 
1 1 1   28    2    4 o   19.885   7.8850   1.8065   3.4809   4.3622   4.0977  -4.8179   6.5973   24.894   8.8201   20.004   9.2755 4.889734 12.79955 
1 1 1   28    2    5 f   61.077   4.3995   28.357   3.9796   31.516   4.8175   21.570   7.0612   64.208   5.0736   51.359   9.5735 12.84863 10.83487 
1 1 1   28    2    6 o   27.817   10.668   4.9205   6.2017   0.0000   0.0000   4.9205   6.2017  ?   ?    27.817   10.668 0.000000 10.66818 
1 1 1   28    2    7 o   36.045   7.8143   10.623   4.0784   4.5005   4.6531   30.919   8.4721   25.402   9.3451   61.094   9.6189 -35.69155 13.41103 
1 1 1   28    2    8 o   44.008   5.9033   15.278   3.7758   15.173   5.1034   15.405   5.6123   42.777   8.3011   42.711   9.0921 0.6559372E-01 12.31158 
1 1 1   28    2    9 f   56.665   4.5997   24.850   3.8525   23.618   5.3544   26.172   5.5472   54.096   6.7880   57.066   6.6441 -2.969547 9.498496 
1 1 1   28    2   10 o   29.828   7.8459   7.6643   3.5360   3.1033   4.8772   12.719   5.1342   22.861   9.2414   37.748   9.2050 -14.88774 13.04357 
1 1 1   28    2   11 o   47.653   5.3880   18.242   3.7609   9.9771   4.8249   31.038   6.0039   32.750   9.3932   61.189   6.6899 -28.43896 11.53195 
1 1 1   28    2   12 o   27.676   8.0432   6.9898   3.5168   5.8160   4.7491   8.4149   5.2330   25.411   9.4240   29.235   9.9915 -3.823641 13.73467 
1 1 1   28    2   13 o   31.483   7.2202   8.9839   3.3170   8.7760   4.6976   9.1905   4.6844   29.257   9.4516   29.968   9.4115 -0.7107582 13.33820 
1 1 1   28    3    0 o   44.768   8.0430   16.513   4.8532   16.513   4.8532   16.513   4.8532   44.768   8.0430   44.768   8.0430 0.000000 0.000000 
1 1 1   28    3    1 o   87.389   3.1325   57.320   4.0815   58.101   5.5370   56.392   6.0400   87.737   4.2328   86.186   4.7183 1.550865 6.338635 
1 1 1   28    3    2 o   99.726   3.2810   74.714   4.8785   73.394   5.6021   78.856   9.9244   98.710   3.8064  101.073   6.6223 -2.362679 7.638284 
1 1 1   28    3    3 o   34.980   6.8589   9.7425   3.4493   10.234   4.1621   8.6641   6.1638   35.541   8.0421   32.932   10.838 2.609364 13.49589 
1 1 1   28    3    4 o   84.389   4.4088   54.073   5.5280   57.408   7.8168   50.737   7.8187   86.246   6.1186   80.858   6.5415 5.387924 8.957015 
1 1 1   28    3    5 o   45.354   6.7333   16.262   4.4150   16.192   5.6299   16.374   7.1151   44.419   8.8120   43.756   10.936 0.6627274 14.04477 
1 1 1   28    3    6 o  117.864   2.8595  104.438   5.0250  108.226   6.4660   98.662   7.9849  119.678   3.6237  113.744   4.7083 5.933456 5.941344 
1 1 1   28    3    7 o   47.219   5.7434   17.511   3.9602   13.198   5.1041   24.034   6.2773   39.556   8.8731   54.255   8.0001 -14.69923 11.94707 
1 1 1   28    3    8 o   41.319   6.7635   13.869   4.0225   17.304   5.0091   7.6332   6.7499   45.790   7.6037   30.454   11.247 15.33630 13.57594 
1 1 1   28    3    9 o   26.785   7.9073   6.1198   3.3754   3.0287   4.4889   10.142   5.1204   22.351   8.9253   33.511   9.6955 -11.15997 13.17814 
1 1 1   28    3   10 o   20.691   8.3364   2.5359   3.9544   4.4796   6.3291   1.2912   5.0647   25.439   10.435   20.800   8.9713 4.638460 13.76161 
1 1 1   28    3   11 o   32.653   7.3478   9.3593   3.4908   4.5064   5.7176   12.243   4.4075   24.418   9.9562   36.804   8.2376 -12.38567 12.92227 
1 1 1   28    3   12 o   33.975   6.6368   10.057   3.2414   16.320   4.8164   4.8715   4.3823   42.299   7.9283   23.485   8.9770 18.81420 11.97683 
1 1 1   28    4    0 o   62.387   5.2871   29.872   4.8366   29.872   4.8366   29.872   4.8366   62.387   5.2871   62.387   5.2871 0.000000 0.000000 
1 1 1   28    4    1 o   33.765   6.3422   9.0435   3.0756   8.1862   4.0529   10.207   4.7227   31.647   8.4360   35.183   8.9743 -3.536444 12.31681 
1 1 1   28    4    2 o  121.897   2.6141  111.424   4.7510  112.309   6.2009  110.167   7.3929  122.131   3.4054  120.688   4.1084 1.442162 5.336262 
1 1 1   28    4    3 o   28.173   8.0854   6.4386   3.5739   6.8216   3.9289   4.6021   8.6035   28.968   8.5252   29.925   12.209 -0.9568882 14.89059 
1 1 1   28    4    4 o   75.463   4.7008   43.540   5.2627   41.103   6.1799   49.969   10.039   72.870   5.7344   78.591   8.7142 -5.720665 10.43168 
1 1 1   28    4    5 o   39.892   9.1697   13.399   5.3397   15.575   6.8264   9.9688   8.5707   42.292   10.791   34.801   12.701 7.490112 16.66611 
1 1 1   28    4    6 o   57.220   4.7346   25.262   4.0030   29.343   5.1851   19.241   6.2981   61.226   5.7473   47.703   9.1884 13.52237 10.83782 
1 1 1   28    4    7 o   22.582   8.2469   3.7076   3.6142   6.0099   4.2763  -2.0485   6.7616   26.982   9.0330   21.295   9.6934 5.686478 13.24984 
1 1 1   28    4    8 o   39.416   6.8324   12.831   3.8698   17.386   4.6095   1.9552   7.1225   45.940   6.9465   24.441   10.590 21.49992 12.66497 
1 1 1   28    4    9 o   20.351   7.7902   2.8592   3.3030   5.6222   4.4960  -0.3806   4.8686   25.735   9.2259   18.946   8.4585 6.788748 12.51648 
1 1 1   28    4   10 o   18.911   7.5339   2.2050   3.1916  -0.2151   4.6471   4.3656   4.3909   18.440   8.2459   23.386   8.9748 -4.946320 12.18775 
1 1 1   28    4   11 o   20.551   7.6363   3.4086   3.1213   1.7149   4.4990   4.9803   4.3340   19.756   8.4877   23.761   8.9644 -4.005211 12.34509 
1 1 1   28    4   12 o   38.382   5.9238   12.617   3.2808   10.056   4.7322   14.987   4.5527   31.009   9.4113   39.979   7.9178 -8.970453 12.29892 
1 1 1   28    5    0 o   8.6098   6.2067  -7.1190   4.0068  -7.1190   4.0068  -7.1190   4.0068   8.6098   6.2067   8.6098   6.2067 0.000000 0.000000 
1 1 1   28    5    1 o   97.202   3.1184   71.136   4.5193   78.313   6.4726   64.309   6.3129  101.548   4.2750   91.769   4.6288 9.779373 6.300922 
1 1 1   28    5    2 o   49.740   5.2982   19.185   3.8688   21.031   4.9752   16.361   6.1531   51.569   6.6239   44.026   9.6408 7.542885 11.69703 
1 1 1   28    5    3 o  106.641   2.8911   85.576   4.5967   84.212   5.6406   88.275   7.9315  105.523   3.5852  107.343   4.9557 -1.820694 6.116611 
1 1 1   28    5    4 o   26.841   8.3269   5.8914   3.6795   6.0982   3.9491   4.5298   10.133   27.309   8.6495   30.536   12.915 -3.227192 15.54364 
1 1 1   28    5    5 o   43.003   6.7187   14.923   4.1669   21.742   4.8911  -3.1259   7.9572   52.215   6.4177   22.533   10.354 29.68167 12.18156 
1 1 1   28    5    6 o   31.045   8.5924   8.3061   4.1122   8.5630   4.3247   5.8824   13.283   31.431   8.8516   32.508   14.266 -1.076551 16.78931 
1 1 1   28    5    7 o   62.115   4.0763   29.772   3.7542   30.547   5.0642   28.826   5.5936   62.055   5.5314   59.685   6.3847 2.370193 8.447556 
1 1 1   28    5    8 o   24.362   7.3882   5.0710   2.9172   10.875   4.2876   0.0690   3.9805   35.022   8.3321   17.766   7.8030 17.25551 11.41543 
1 1 1   28    5    9 o   57.400   4.1458   25.768   3.5242   27.370   5.0203   24.211   4.9484   57.819   5.9064   54.068   6.2537 3.751015 8.602007 
1 1 1   28    5   10 o   51.737   4.5211   21.330   3.4525   19.031   5.2129   23.127   4.6080   46.031   7.8788   52.670   5.9735 -6.639435 9.887258 
1 1 1   28    5   11 f   16.664   7.1985   0.8773   3.2710   0.9199   4.4175   0.8256   4.8668   18.461   8.1594   18.961   8.4616 -0.5001907 11.75474 
1 1 1   28    6    0 o   40.689   6.9839   13.607   3.8622   13.607   3.8622   13.607   3.8622   40.689   6.9839   40.689   6.9839 0.000000 0.000000 
1 1 1   28    6    1 o   14.682   6.3589  -0.1186   2.5659   0.7902   3.4317  -1.2708   3.8640   18.010   7.5607   16.646   7.4760 1.363522 10.63272 
1 1 1   28    6    2 o   83.191   3.0615   52.240   3.7973   52.440   4.9451   51.952   5.9281   82.990   3.9965   82.061   4.8669 0.9287415 6.297486 
1 1 1   28    6    3 o   28.420   7.2660   6.7077   3.0908   4.3792   3.7699   11.482   5.3983   23.954   8.4628   36.196   9.7739 -12.24233 12.92853 
1 1 1   28    6    4 o   46.530   4.9388   16.918   3.3739   18.785   4.2583   13.770   5.5299   48.543   6.0123   39.611   9.4882 8.931778 11.23269 
1 1 1   28    6    5 o   20.889   8.0869   2.7913   3.5881   2.8541   3.8265   2.3340   10.326   21.308   8.3227   27.931   12.404 -6.623196 14.93705 
1 1 1   28    6    6 o   46.119   5.4981   17.002   3.7061   20.135   4.4175   9.5564   6.8104   49.887   6.0637   31.893   11.363 17.99458 12.87981 
1 1 1   28    6    7 o   44.334   5.2550   15.754   3.4060   16.104   4.4648   15.266   5.2678   43.641   7.1063   41.172   8.8451 2.469173 11.34614 
1 1 1   28    6    8 o   18.312   7.1853   2.1506   2.8624   1.9235   4.3417   2.3252   3.8070   20.130   8.4803   19.912   8.1220 0.2182674 11.74233 
1 1 1   28    6    9 o   26.304   7.8111   6.3341   3.2861   5.4403   5.3265   6.8832   4.1753   24.813   9.7808   26.874   8.9238 -2.060867 13.24004 
1 1 1   28    6   10 o   27.150   7.3667   6.8142   3.0580   10.181   4.6228   4.1946   4.0776   31.610   9.2317   22.061   8.5984 9.549271 12.61578 
1 1 1   28    7    0 o   19.470   9.8865   4.3879   3.5890   4.3879   3.5890   4.3879   3.5890   19.470   9.8865   19.470   9.8865 0.000000 0.000000 
1 1 1   28    7    1 o   63.741   3.3128   30.914   3.1374   31.731   4.2376   29.922   4.6676   64.058   4.4647   61.857   5.1066 2.201042 6.783168 
1 1 1   28    7    2 o   10.538   5.1312  -4.3104   2.5890  -5.3603   3.3729  -2.8046   4.0393   12.090   5.8800   15.512   7.2147 -3.421715 9.307360 
1 1 1   28    7    3 o   75.136   3.1135   42.831   3.4879   47.319   4.6914   37.284   5.2153   78.425   4.0257   68.933   5.1108 9.491570 6.505878 
1 1 1   28    7    4 o   59.138   3.7788   26.910   3.3145   28.222   4.3599   25.113   5.1019   59.930   4.9228   55.649   6.2575 4.280872 7.961810 
1 1 1   28    7    5 o   15.928   6.6912   0.7441   2.6905   3.7319   3.6169  -2.9575   4.0258   22.122   8.2202   15.161   7.1008 6.961287 10.86248 
1 1 1   28    7    6 o   59.643   3.8512   27.590   3.4065   34.650   4.7465   20.092   4.8917   66.139   4.8471   48.806   6.9158 17.33290 8.445269 
1 1 1   28    7    7 o   47.930   7.0180   19.702   4.8666   12.990   6.3522   29.239   7.5722   35.289   10.940   55.835   9.4318 -20.54639 14.44417 
1 1 1   28    7    8 o   36.766   7.9493   12.377   4.2307   0.0000   0.0000   12.377   4.2307  ?   ?    36.766   7.9493 0.000000 7.949322 
1 1 1   28    7    9 o   44.256   5.5641   16.427   3.5903   9.1241   4.4930   29.327   5.9717   29.861   9.1912   57.370   7.1357 -27.50872 11.63594 
1 1 1   28    7   10 o   18.646   7.4290   2.6846   3.1035   4.9229   4.6793   0.9266   4.1469   22.641   9.0872   17.699   7.8600 4.941652 12.01490 
1 1 1   28    8    0 o   16.479   9.0754   3.0443   3.2320   3.0443   3.2320   3.0443   3.2320   16.479   9.0754   16.479   9.0754 0.000000 0.000000 
1 1 1   28    8    1 o   34.817   4.7388   9.6115   2.3961   8.6992   3.2937   10.637   3.4921   31.987   7.0922   35.608   6.8261 -3.621319 9.843586 
1 1 1   28    8    2 o   14.573   6.2563   0.2324   2.4411   3.7081   3.2336  -4.3732   3.7222   21.750   7.8213   13.465   6.4551 8.284938 10.14104 
1 1 1   28    8    3 o   31.797   5.8861   8.3404   2.6877   8.8026   3.5414   7.7126   4.1274   31.769   7.5820   29.173   8.7750 2.596188 11.59686 
1 1 1   28    8    4 o   58.247   3.4096   26.106   2.9481   35.077   4.5851   19.783   3.8493   66.692   4.6400   49.593   5.2874 17.09924 7.034648 
1 1 1   28    8    5 o   27.571   6.9653   6.6368   2.8642   5.1631   3.7802   8.6232   4.3888   24.241   8.4815   30.208   9.0400 -5.966908 12.39593 
1 1 1   28    8    6 o   14.296   6.4433  -0.7006   2.8997   4.3647   3.9075  -6.9088   4.3259   22.734   8.5250   13.146   6.4497 9.587585 10.68989 
1 1 1   28    8    7 o   42.562   5.2537   14.914   3.2632   18.158   5.0228   12.545   4.2925   44.658   7.8289   36.746   8.0568 7.912064 11.23403 
1 1 1   28    8    8 o   26.979   7.2503   6.7536   2.9790   11.196   4.3321   2.7688   4.1030   33.673   8.5987   20.012   8.3237 13.66125 11.96746 
1 1 1   28    8    9 o   11.117   5.4116  -3.9567   2.8739  -0.4160   4.3047  -6.8040   3.8602   16.653   7.6384   11.851   5.8666 4.802298 9.631305 
1 1 1   28    9    0 o   60.923   3.8247   28.355   3.4428   28.355   3.4428   28.355   3.4428   60.923   3.8247   60.923   3.8247 0.000000 0.000000 
1 1 1   28    9    1 o   11.390   5.2159  -1.0758   1.9957  -0.8041   2.4856  -1.5688   3.3481   13.199   5.9555   14.594   6.7097 -1.395694 8.971546 
1 1 1   28    9    2 o   45.857   3.1639   16.178   2.1500   18.896   3.1683   13.858   2.9271   48.898   4.3926   41.588   4.8092 7.309517 6.513313 
1 1 1   28    9    3 o   38.233   4.0399   11.518   2.2680   12.364   3.3676   10.815   3.0682   38.401   6.0845   35.973   5.9270 2.427662 8.494145 
1 1 1   28    9    4 o   22.051   6.4880   4.2134   2.2757   3.0539   3.2970   5.2687   3.1452   20.125   7.7629   24.173   7.7258 -4.047522 10.95220 
1 1 1   28    9    5 o   28.203   6.6638   7.0194   2.7577   2.0986   3.4464   15.776   4.5976   18.709   7.6906   41.763   7.6662 -23.05392 10.85892 
1 1 1   28    9    6 o   12.154   5.8117  -3.0615   2.9747  -4.5680   4.2006  -1.5458   4.2133   13.911   6.7169   15.977   7.4096 -2.065667 10.00096 
1 1 1   28    9    7 o   13.141   6.1458  -1.7837   2.9968   1.8042   3.9552  -6.6197   4.5920   18.528   7.9591   13.456   6.6105 5.072001 10.34637 
1 1 1   28    9    8 o   19.225   7.9907   2.8104   3.7773  -2.9558   6.3639   5.9468   4.6935   17.558   8.4235   23.658   9.2238 -6.099871 12.49139 
1 1 1   28   10    0 o   14.974   10.294  -3.3534   7.5011  -3.3534   7.5011  -3.3534   7.5011   14.974   10.294   14.974   10.294 0.000000 0.000000 
1 1 1   28   10    1 o   27.761   5.3879   6.4581   2.1497   1.9641   7.5809   6.8511   2.2417   22.851   10.347   28.573   5.4611 -5.722195 11.70013 
1 1 1   28   10    2 o   9.8406   4.6905  -2.1251   1.9056  -6.0486   6.8644  -1.7975   1.9836   17.594   8.5171   10.430   4.9163 7.163553 9.834195 
1 1 1   28   10    3 o   19.756   6.8161   3.3309   2.4373   1.9776   6.9685   3.5196   2.6016   22.086   9.9682   20.227   7.0385 1.859173 12.20269 
1 1 1   28   10    4 o   49.605   3.2068   19.128   2.3591   24.847   3.5218   14.474   3.1772   55.706   4.2728   41.739   5.2195 13.96650 6.745370 
1 1 1   28   10    5 o   30.226   5.4779   7.8006   2.3778   9.7638   3.3825   5.8827   3.3433   32.510   7.1709   24.584   7.9768 7.925753 10.72622 
1 1 1   28   10    6 o   17.330   7.0138   2.0991   2.8130   2.3777   3.5696   1.6426   4.5692   18.570   7.7472   18.793   8.3026 -0.2229786 11.35569 
1 1 1   28   11    0 o   18.099   11.738   2.0711   7.5290   2.0711   7.5290   2.0711   7.5290   18.099   11.738   18.099   11.738 0.000000 0.000000 
1 1 1   28   11    1 o   21.212   9.5393   2.3039   6.3150   20.072   12.254  -4.1213   7.3688   32.861   14.060   18.507   8.9260 14.35431 16.65393 
1 1 1   28   11    2 o   20.660   9.8145  -0.8538   8.2015  -1.7637   11.594   0.0576   11.604   22.352   10.878   22.964   11.106 -0.6118450 15.54611 
1 1 1   28   11    3 o   19.177   6.1500   3.2560   1.9917   8.1711   6.9248   2.8128   2.0796   26.038   10.820   18.094   6.2930 7.943195 12.51736 
1 1 1   28   11    4 o   22.057   6.7317   4.5517   2.4162   3.7745   6.6400   4.6703   2.5940   21.902   9.8206   22.191   7.0082 -0.2894783 12.06484 
1 1 1   28   11    5 o   18.917   7.1468   3.1939   2.7572   1.1017   6.9016   3.5913   3.0076   19.906   9.3152   19.720   7.4609 0.1862011 11.93472 
1 1 1   28   12    0 o   26.282   13.716   10.224   7.0304   10.224   7.0304   10.224   7.0304   26.282   13.716   26.282   13.716 0.000000 0.000000 
1 1 1   28   12    1 o   26.499   9.9170   8.7023   5.2827   13.106   7.5072   4.3831   7.4350   29.255   11.586   22.078   10.094 7.177017 15.36650 
1 1 1   28   12    2 o   20.722   9.0629   3.7549   5.3198   3.0070   7.5735   4.4834   7.4742   21.142   9.8486   21.993   10.079 -0.8507118 14.09212 
1 1 1   28   12    3 o   33.714   10.038   14.021   5.4211   22.819   7.4085   3.8818   7.9536   40.694   11.629   21.494   10.039 19.19998 15.36327 
1 1 1   29    1    0 o   31.968   11.049   10.113   4.7460   10.113   4.7460   10.113   4.7460   31.968   11.049   31.968   11.049 0.000000 0.000000 
1 1 1   29    1    1 o   53.545   4.5210   21.816   3.5756   19.195   4.7383   25.282   5.4491   49.633   6.5641   57.084   6.5193 -7.451099 9.251362 
1 1 1   29    1    2 o   41.686   5.7412   13.481   3.4737   12.524   4.3348   15.198   5.8068   39.596   7.6191   43.137   9.3021 -3.540775 12.02416 
1 1 1   29    1    3 o   26.992   7.9269   5.8007   3.4000   6.7866   4.0945   3.6109   6.1022   29.122   8.7354   26.348   10.442 2.773426 13.61443 
1 1 1   29    1    4 o   22.069   8.0336   3.2449   3.4257   0.8546   4.0920   8.8452   6.2635   19.751   8.2721   33.167   10.926 -13.41587 13.70404 
1 1 1   29    1    5 o   37.241   6.7953   11.053   3.6341   11.970   4.4883   9.3068   6.1924   38.343   8.1046   33.650   10.850 4.693062 13.54248 
1 1 1   29    1    6 o   22.824   8.5137   3.4121   3.8870  -0.6273   4.4411   16.640   8.0365   18.709   8.2288   43.421   12.010 -24.71239 14.55827 
1 1 1   29    1    7 o   59.672   4.7239   27.399   4.1685   35.668   5.8104   18.629   5.9837   67.612   5.8205   47.289   8.8108 20.32280 10.55975 
1 1 1   29    1    8 o   40.941   6.1258   13.404   3.6244   18.690   4.9124   7.0894   5.3693   47.975   7.0803   29.219   10.115 18.75630 12.34661 
1 1 1   29    1    9 o   38.288   8.6279   12.733   4.8074   13.203   6.5634   12.190   7.0611   37.510   11.013   35.812   11.590 1.697983 15.98772 
1 1 1   29    1   10 o   22.341   8.1499   3.8886   3.5283   3.9416   4.8947   3.8314   5.0906   23.660   9.3601   23.706   9.4911 -0.4647636E-01 13.33013 
1 1 1   29    1   11 o   20.874   7.9126   3.2771   3.3868   2.7184   4.6428   3.9125   4.9515   21.471   8.8861   23.217   9.3374 -1.746092 12.88995 
1 1 1   29    1   12 o   42.408   6.0681   15.165   3.7275   14.347   4.7608   16.462   5.9920   39.248   8.3900   40.360   10.007 -1.112480 13.05881 
1 1 1   29    2    0 o  112.441   5.3802   95.677   8.9727   95.677   8.9727   95.677   8.9727  112.441   5.3802  112.441   5.3802 0.000000 0.000000 
1 1 1   29    2    1 o   17.615   7.6628  -0.3461   3.7585  -2.6332   6.1283   1.0330   4.7586   20.510   9.2940   21.247   8.9105 -0.7367363 12.87541 
1 1 1   29    2    2 o   51.665   4.7482   20.429   3.6167   28.707   4.7375   8.8650   5.5994   61.156   5.2465   32.931   10.281 28.22546 11.54244 
1 1 1   29    2    3 o   29.321   7.7987   6.9847   3.4687   9.8247   4.3994   2.3188   5.6391   34.566   8.5772   24.074   9.8599 10.49200 13.06849 
1 1 1   29    2    4 o   12.399   5.9752  -4.7876   3.2860  -4.4943   3.9357  -5.4626   5.9705   14.320   6.8016   18.199   8.5632 -3.878510 10.93575 
1 1 1   29    2    5 o   57.470   4.5309   25.298   3.8509   28.760   4.7477   18.640   6.5839   61.021   5.2701   47.047   9.7081 13.97433 11.04628 
1 1 1   29    2    6 o   49.061   5.4813   18.797   3.9410   21.411   5.0438   14.701   6.3147   51.857   6.6788   41.096   10.320 10.76103 12.29289 
1 1 1   29    2    7 o   50.814   5.0311   20.118   3.7616   24.984   4.8840   13.024   5.8977   56.237   5.9135   38.348   10.155 17.88873 11.75096 
1 1 1   29    2    8 o   22.510   7.9977   3.8909   3.3714   3.2919   4.5700   4.6063   4.9941   22.884   9.0472   25.081   9.5842 -2.197187 13.17986 
1 1 1   29    2    9 o   61.895   4.4191   29.854   4.0514   44.160   6.0818   18.442   5.4321   74.471   5.5166   46.181   8.1891 28.28983 9.873932 
1 1 1   29    2   10 o   37.195   6.8809   11.775   3.6754   14.760   4.8406   7.7107   5.6480   40.701   8.2590   28.616   10.331 12.08439 13.22638 
1 1 1   29    2   11 o   24.670   8.5914   5.5391   3.8766   6.2561   5.8508   4.9781   5.1758   26.066   10.258   24.262   9.6167 1.803877 14.06120 
1 1 1   29    2   12 o   14.440   6.6659  -1.3756   3.3524   0.3688   4.3954  -3.8017   5.1837   17.912   8.0138   16.118   7.6973 1.794020 11.11167 
1 1 1   29    3    0 o   46.694   7.2471   17.637   4.6835   17.637   4.6835   17.637   4.6835   46.694   7.2471   46.694   7.2471 0.000000 0.000000 
1 1 1   29    3    1 o   45.147   5.8333   15.920   3.8348   13.444   4.4054   23.662   7.7908   40.829   7.5137   53.080   10.215 -12.25139 12.68077 
1 1 1   29    3    2 o   20.467   7.7865   2.5091   3.2872   3.4530   4.1925   1.0030   5.2961   23.302   8.8106   21.989   9.3202 1.313623 12.82548 
1 1 1   29    3    3 o   19.926   8.3528   1.0050   4.1785   2.4522   6.2553  -0.1611   5.6151   24.870   10.305   21.357   9.3266 3.513073 13.89923 
1 1 1   29    3    4 o   14.091   6.9279  -9.6582   5.0738 -12.3894   6.0256  -3.0023   9.4063   14.919   7.3755   24.931   11.381 -10.01163 13.56204 
1 1 1   29    3    5 o   43.295   6.2909   14.938   3.9421   13.137   4.6453   19.574   7.4517   39.739   8.1147   47.060   10.843 -7.321255 13.54338 
1 1 1   29    3    6 o   66.537   3.9303   33.871   3.8817   41.996   5.0569   22.217   6.0565   73.762   4.6215   51.670   8.1303 22.09219 9.352015 
1 1 1   29    3    7 o   23.790   8.4963   4.4237   3.8096   5.7544   4.5089   1.1036   7.1219   26.406   9.2616   23.841   10.455 2.564716 13.96732 
1 1 1   29    3    8 o   43.291   5.7020   15.112   3.5909   15.685   4.6509   14.267   5.6504   42.982   7.5319   39.411   9.6850 3.570526 12.26903 
1 1 1   29    3    9 o   65.152   4.1771   33.115   4.0363   34.498   5.2681   31.148   6.2810   65.511   5.4427   60.769   7.0641 4.741673 8.917648 
1 1 1   29    3   10 o   54.003   5.2858   23.667   4.2014   14.682   6.5390   29.984   5.4829   37.304   11.004   59.923   6.2278 -22.61878 12.64398 
1 1 1   29    3   11 o   16.039   6.9575   0.5887   3.0811   1.4283   4.6464  -0.0703   4.1163   19.385   8.4743   17.168   7.7129 2.217299 11.45871 
1 1 1   29    4    0 o   43.236   7.4799   15.395   4.3890   15.395   4.3890   15.395   4.3890   43.236   7.4799   43.236   7.4799 0.000000 0.000000 
1 1 1   29    4    1 o   50.570   4.4295   19.641   3.3062   25.677   4.5634   12.973   4.7965   57.493   5.3864   39.484   8.4056 18.00909 9.983391 
1 1 1   29    4    2 o   68.803   3.6477   35.957   3.7286   34.928   4.6260   37.866   6.2992   67.428   4.6295   69.457   6.1462 -2.028625 7.694655 
1 1 1   29    4    3 o   24.247   8.4566   4.4960   3.7566   2.0367   4.8048   8.3634   6.0252   22.034   9.0718   31.486   10.721 -9.451347 14.04437 
1 1 1   29    4    4 o   23.437   8.2759   4.1681   3.6048   4.9957   4.2955   2.1974   6.6285   25.403   9.0272   24.607   10.428 0.7958851 13.79273 
1 1 1   29    4    5 o   32.907   7.5608   9.1064   3.6316   10.165   4.2240   6.1067   7.1110   34.453   8.3174   28.709   11.306 5.744986 14.03579 
1 1 1   29    4    6 o   21.409   8.1014   3.1892   3.5465   3.3876   4.0907   2.5887   7.1168   22.356   8.6403   24.937   10.693 -2.581505 13.74785 
1 1 1   29    4    7 o   23.391   8.1324   4.4919   3.4728   5.8592   4.1401   1.2456   6.3791   26.058   8.8871   22.580   9.8986 3.477821 13.30275 
1 1 1   29    4    8 o   42.651   5.6541   14.820   3.5069   19.965   4.6680   8.1551   5.3136   48.912   6.5668   29.316   10.067 19.59614 12.01944 
1 1 1   29    4    9 o   26.194   7.8856   6.2218   3.3322   6.8114   4.4739   5.4873   4.9936   26.876   9.2369   24.972   9.5739 1.903900 13.30341 
1 1 1   29    4   10 o   20.612   7.8609   3.4390   3.3555   7.3112   5.8063   1.4974   4.1116   26.784   10.310   18.818   8.0999 7.966448 13.11138 
1 1 1   29    4   11 o   22.252   7.7499   4.6373   3.1544   6.1164   4.7292   3.4519   4.2338   24.497   9.3347   20.801   8.5341 3.696068 12.64781 
1 1 1   29    5    0 o   19.685   11.016   4.2810   4.8489   4.2810   4.8489   4.2810   4.8489   19.685   11.016   19.685   11.016 0.000000 0.000000 
1 1 1   29    5    1 o   23.599   7.7018   4.4636   3.1151   5.8268   3.9089   2.0915   5.1565   26.566   8.6255   22.461   9.3359 4.105455 12.71057 
1 1 1   29    5    2 o   27.916   7.3697   6.5161   3.1125   6.9695   3.8877   5.7066   5.1947   28.644   8.4939   26.993   9.8826 1.650669 13.03115 
1 1 1   29    5    3 o   29.327   7.2003   7.2055   3.1253   10.045   4.0549   3.0507   4.9051   34.328   8.0602   23.075   9.2889 11.25284 12.29840 
1 1 1   29    5    4 o   70.014   3.5250   37.445   3.6679   48.624   4.9210   23.471   5.5018   79.434   4.1696   53.424   7.0817 26.01007 8.218068 
1 1 1   29    5    5 f   36.403   6.6634   11.004   3.4833   11.294   4.1969   10.361   6.2449   36.126   8.0025   33.075   10.910 3.051228 13.53054 
1 1 1   29    5    6 o   42.477   6.2108   14.839   3.8172   20.096   4.3772  -1.8553   7.8000   49.645   6.0378   21.999   10.160 27.64666 11.81839 
1 1 1   29    5    7 o   27.065   7.6200   6.4892   3.2054   7.0024   4.1628   5.7416   5.0237   27.611   8.8950   25.688   9.6597 1.923059 13.13125 
1 1 1   29    5    8 o   33.412   7.0446   9.7759   3.3988   11.417   4.4598   7.5018   5.2495   34.932   8.6165   27.738   9.9664 7.194563 13.17467 
1 1 1   29    5    9 o   20.602   7.5715   3.5538   3.0534   5.3582   4.5130   2.0306   4.1465   24.095   9.1337   19.469   8.2491 4.626066 12.30745 
1 1 1   29    5   10 o   15.377   6.8163   0.1689   3.1050   0.7217   4.6733  -0.2680   4.1546   18.389   8.2428   16.772   7.6206 1.616838 11.22570 
1 1 1   29    6    0 o   11.965   7.9162  -0.6347   3.6875  -0.6347   3.6875  -0.6347   3.6875   11.965   7.9162   11.965   7.9162 0.000000 0.000000 
1 1 1   29    6    1 o   21.331   7.1876   3.6142   2.7077   4.4248   3.5774   2.5270   4.1431   23.522   8.2498   21.188   8.5343 2.334103 11.86979 
1 1 1   29    6    2 o   19.635   7.2362   2.7520   2.7916  -1.1398   3.5601   8.9657   4.4985   15.773   7.1214   31.661   9.0667 -15.88779 11.52903 
1 1 1   29    6    3 o   38.833   5.3580   12.087   3.0197   10.527   3.9982   14.160   4.6072   34.854   7.8789   40.559   7.9028 -5.705116 11.15935 
1 1 1   29    6    4 o   32.617   7.3460   9.1601   3.4865   7.6739   3.8824   15.352   7.9247   29.313   8.4315   38.289   12.266 -8.976318 14.88453 
1 1 1   29    6    5 o   38.895   6.0607   12.503   3.4002   15.795   4.1989   6.2316   5.7951   43.346   6.7141   26.756   10.300 16.58987 12.29513 
1 1 1   29    6    6 o   21.514   8.5870   3.2555   4.1534   2.7172   5.9593   3.7640   5.7917   22.732   9.7675   23.608   9.8603 -0.8762188 13.87909 
1 1 1   29    6    7 o   20.581   7.4828   3.4683   2.9708   1.2165   4.1999   5.7231   4.2026   18.846   8.1489   24.931   8.9217 -6.085438 12.08310 
1 1 1   29    6    8 o   32.687   6.4871   9.3400   3.0499   10.020   4.5845   8.7998   4.0850   31.544   9.1880   29.983   8.6557 1.560358 12.62303 
1 1 1   29    6    9 o   17.887   7.1637   2.2564   2.9012   0.4913   4.2351   3.8170   3.9823   17.564   7.8617   21.141   8.4178 -3.577543 11.51800 
1 1 1   29    7    0 o   18.249   9.5811   3.9109   3.4464   3.9109   3.4464   3.9109   3.4464   18.249   9.5811   18.249   9.5811 0.000000 0.000000 
1 1 1   29    7    1 o   22.262   6.8185   4.1799   2.4762   3.9430   3.2044   4.5311   3.9013   22.048   7.8010   23.519   8.5713 -1.470898 11.58978 
1 1 1   29    7    2 o   13.552   6.0716  -0.6646   2.5323  -0.2008   3.3061  -1.3229   3.9388   15.985   7.0622   16.207   7.3856 -0.2227001 10.21867 
1 1 1   29    7    3 o   33.865   5.7128   9.4548   2.7818   9.4431   3.6362   9.4713   4.3197   32.712   7.6003   31.978   8.7885 0.7344151 11.61905 
1 1 1   29    7    4 o   13.309   6.1160  -1.4072   2.7778  -1.1974   3.5100  -1.7586   4.5440   15.277   6.9657   16.863   7.7761 -1.585598 10.43980 
1 1 1   29    7    5 o   41.571   5.1760   14.072   3.1387   21.640   4.1780   4.2677   4.7554   51.350   5.5450   23.127   9.2017 28.22350 10.74325 
1 1 1   29    7    6 o   14.273   6.4149  -0.5339   2.8508  -2.7056   3.6719   2.7616   4.5233   14.164   6.6799   20.819   8.7062 -6.655022 10.97359 
1 1 1   29    7    7 o   29.235   7.3267   7.8820   3.1873   9.3310   4.3460   6.1956   4.6884   30.404   8.9715   25.016   9.3465 5.387863 12.95547 
1 1 1   29    7    8 o   23.835   7.5322   5.4303   2.9960   10.411   4.4730   1.3773   4.0349   31.544   9.0432   18.094   7.9037 13.45051 12.01033 
1 1 1   29    8    0 o   7.9333   5.6258  -3.4469   2.7913  -3.4469   2.7913  -3.4469   2.7913   7.9333   5.6258   7.9333   5.6258 0.000000 0.000000 
1 1 1   29    8    1 o   23.861   6.2459   4.8985   2.2480   3.7376   3.1333   6.1301   3.2272   21.263   7.6917   26.018   7.7442 -4.755415 10.91494 
1 1 1   29    8    2 o   21.427   6.7780   3.9579   2.4256   3.3011   3.2797   4.7509   3.6037   20.552   7.7875   23.237   8.2672 -2.684275 11.35745 
1 1 1   29    8    3 o   25.035   6.3913   5.4594   2.3938   8.7533   3.4158   2.2801   3.3558   31.130   7.4574   18.944   7.6630 12.18622 10.69269 
1 1 1   29    8    4 o   11.299   5.3136  -1.9174   2.2933  -3.6077   3.3472  -0.4219   3.1483   12.752   6.1156   15.046   6.7534 -2.293631 9.110925 
1 1 1   29    8    5 o   20.128   7.2912   3.4411   2.8168   7.3532   3.6574  -2.2623   4.4160   27.576   8.2525   15.816   7.4171 11.76016 11.09585 
1 1 1   29    8    6 o   20.272   7.4113   3.5917   2.9201  -1.0093   3.7443   10.735   4.6653   15.421   7.0920   32.039   9.2503 -16.61808 11.65605 
1 1 1   29    8    7 o   68.924   3.9369   37.974   4.0290   45.111   5.2244   27.500   6.3287   74.010   4.7598   53.036   8.2734 20.97404 9.544878 
1 1 1   29    9    0 o   9.4231   6.3642  -0.9860   2.6101  -0.9860   2.6101  -0.9860   2.6101   9.4231   6.3642   9.4231   6.3642 0.000000 0.000000 
1 1 1   29    9    1 o   17.142   6.0777   2.3409   1.9461   2.1723   2.4880   2.6065   3.1235   17.416   6.7363   18.923   7.4800 -1.507008 10.06622 
1 1 1   29    9    2 o   11.992   5.5254  -1.1710   2.2874 -12.0911   6.6498   0.2945   2.4361   14.887   7.4241   14.216   6.1766 0.6703997 9.657534 
1 1 1   29    9    3 o   23.284   7.0676   4.9814   2.6686   2.2632   7.0412   5.4373   2.8838   21.979   9.9607   24.146   7.3509 -2.167187 12.37951 
1 1 1   29    9    4 o   43.961   3.8736   15.392   2.5130   17.232   3.6111   13.665   3.4994   45.163   5.4747   39.609   6.1231 5.553616 8.213639 
1 1 1   29    9    5 o   15.574   6.5215   1.2243   2.5427   4.2817   3.7480  -1.3828   3.4610   21.435   8.2744   14.386   6.6869 7.048301 10.63863 
1 1 1   29    9    6 o   33.348   6.2951   10.061   3.0152   9.4350   3.9418   10.943   4.6813   29.988   8.4527   31.227   9.3345 -1.238995 12.59287 
1 1 1   29   10    0 o   14.707   10.087  -2.4431   7.1069  -2.4431   7.1069  -2.4431   7.1069   14.707   10.087   14.707   10.087 0.000000 0.000000 
1 1 1   29   10    1 o   30.873   9.8557   10.862   5.1195   16.227   7.3206   5.7267   7.1621   34.654   11.818   23.852   10.472 10.80150 15.78957 
1 1 1   29   10    2 o   8.9243   4.4366  -4.9487   2.2984  -6.8451   7.1197  -4.7280   2.4284   16.803   8.2500   9.4250   4.6635 7.377735 9.476842 
1 1 1   29   10    3 o   15.473   6.4115   1.3578   2.4212  -2.4183   12.096   1.5154   2.4712   21.608   10.637   15.810   6.5072 5.797138 12.46996 
1 1 1   29   10    4 o   12.221   5.3768   0.0598   1.8971  -3.3701   2.5500   4.3118   2.8392   10.559   5.1301   21.086   7.3519 -10.52649 8.964892 
1 1 1   29   11    0 o   22.854   14.917   7.7019   12.434   7.7019   12.434   7.7019   12.434   22.854   14.917   22.854   14.917 0.000000 0.000000 
1 1 1   29   11    1 o   19.462   8.9294   2.0951   5.8880  -4.2478   6.8036   21.020   11.752   16.859   8.2327   29.637   13.193 -12.77777 15.55080 
1 1 1   30    1    0 o   17.746   10.353   3.0054   4.5447   3.0054   4.5447   3.0054   4.5447   17.746   10.353   17.746   10.353 0.000000 0.000000 
1 1 1   30    1    1 o   23.853   7.8661   4.3580   3.2463   7.9087   4.3623  -0.0485   4.8597   31.013   8.9423   20.186   8.7470 10.82691 12.50896 
1 1 1   30    1    2 o   37.282   6.2780   11.010   3.3657   11.196   4.3987   10.748   5.2276   36.940   8.2003   35.784   9.5995 1.156189 12.62517 
1 1 1   30    1    3 o   99.572   2.9733   74.576   4.4141   78.573   5.6897   68.534   6.9958  101.940   3.7435   94.575   4.9787 7.364815 6.229099 
1 1 1   30    1    4 o   36.386   7.2361   10.752   3.7874   9.8337   4.2729   14.120   8.1811   34.365   8.4083   39.739   12.431 -5.374462 15.00742 
1 1 1   30    1    5 o   53.609   5.0824   22.288   4.0138   27.687   5.0028   12.534   6.7243   59.511   5.7082   37.587   11.176 21.92384 12.54977 
1 1 1   30    1    6 o   52.715   5.6794   21.884   4.3934   31.019   6.5600   14.455   5.9161   61.896   7.2455   40.586   9.8715 21.31023 12.24516 
1 1 1   30    1    7 o   35.653   6.7448   10.469   3.4541   2.8789   4.5993   20.286   5.2309   22.417   9.0051   49.597   7.2914 -27.18009 11.58688 
1 1 1   30    1    8 o   48.313   5.0906   18.476   3.6118   14.139   4.8696   23.779   5.3850   40.261   8.3845   53.661   6.8898 -13.39968 10.85218 
1 1 1   30    1    9 o   22.749   8.8132   3.8572   4.2638   9.0425   6.1122  -1.0583   5.9510   30.569   10.778   19.944   9.0844 10.62520 14.09604 
1 1 1   30    1   10 o   33.275   7.1843   9.7095   3.4600   8.0306   4.6572   11.778   5.1690   28.887   9.4167   34.717   9.6422 -5.829990 13.47756 
1 1 1   30    1   11 o   16.410   7.1290   0.6103   3.2444  -1.2725   4.3076   3.0786   4.9322   16.494   7.5934   21.483   9.0438 -4.988838 11.80896 
1 1 1   30    2    0 o   39.288   9.2438   13.540   4.7039   13.540   4.7039   13.540   4.7039   39.288   9.2438   39.288   9.2438 0.000000 0.000000 
1 1 1   30    2    1 o   32.497   6.9821   8.5791   3.2821   6.9293   4.3899   10.670   4.9423   29.048   9.1089   35.527   9.2425 -6.478703 12.97676 
1 1 1   30    2    2 o   63.138   3.9178   30.355   3.6699   37.376   4.8020   20.494   5.6906   69.802   4.6405   50.199   7.8611 19.60316 9.128608 
1 1 1   30    2    3 o   25.589   8.0603   5.2934   3.4330   3.5643   4.2484   8.5465   5.8275   23.328   8.8574   31.822   10.541 -8.493982 13.76863 
1 1 1   30    2    4 o   31.290   7.5708   8.1454   3.4937   8.1384   4.2954   8.1591   6.0054   30.950   8.8586   31.109   10.701 -0.1584396 13.89206 
1 1 1   30    2    5 o   38.896   7.6548   12.606   4.2812   15.194   5.7756   9.4488   6.3781   41.723   9.4975   32.679   11.031 9.044216 14.55652 
1 1 1   30    2    6 o   66.700   4.4024   34.421   4.3535   37.466   5.2389   27.627   7.8259   69.164   5.1166   55.977   9.7299 13.18715 10.99321 
1 1 1   30    2    7 o   29.620   7.6492   7.5750   3.4016   9.1994   4.4965   5.4016   5.2013   31.983   9.0323   25.954   9.8134 6.029625 13.33737 
1 1 1   30    2    8 o   45.965   5.7443   17.176   3.8508   17.441   4.7255   16.653   6.6437   45.274   7.2448   41.225   10.712 4.049137 12.93148 
1 1 1   30    2    9 f   44.506   5.4598   16.156   3.5470   17.133   4.7425   14.916   5.3434   44.323   7.4401   39.769   9.1953 4.553856 11.82828 
1 1 1   30    2   10 o   13.483   6.3411  -2.4098   3.2668  -6.0524   4.2426   2.8956   5.1202   13.318   6.5029   21.570   9.1545 -8.252055 11.22916 
1 1 1   30    2   11 o   27.663   8.3723   7.5803   3.7488   9.4536   5.8742   6.2932   4.8694   28.743   10.511   24.894   9.4754 3.848680 14.15165 
1 1 1   30    3    0 f   75.269   7.4116   44.518   8.1325   44.518   8.1325   44.518   8.1325   75.269   7.4116   75.269   7.4116 0.000000 0.000000 
1 1 1   30    3    1 o   65.870   6.0527   34.210   5.8779   26.966   7.9047   43.169   8.7909   56.026   9.8211   72.421   8.2908 -16.39526 12.85265 
1 1 1   30    3    2 o   36.713   7.7563   11.240   4.1126   9.2988   6.3804   12.619   5.3791   32.641   11.033   38.077   9.5047 -5.436268 14.56266 
1 1 1   30    3    3 o   22.135   8.5445   3.1410   3.9966 -10.6660   6.0429   13.876   5.3285   15.439   7.5847   40.034   9.1295 -24.59437 11.86905 
1 1 1   30    3    4 o   16.658   7.3128  -0.2709   3.4924   1.5152   4.9800  -1.9994   4.8991   21.386   9.0498   17.984   8.2112 3.402534 12.21977 
1 1 1   30    3    5 o   29.178   8.1045   7.3663   3.6517   7.8029   4.1688   5.9268   7.5696   29.797   8.7852   28.339   11.493 1.458178 14.46611 
1 1 1   30    3    6 o   10.236   5.1131  -7.9961   3.2087 -10.4511   3.9596  -3.3006   5.4761   11.072   5.5521   17.823   8.3265 -6.751398 10.00779 
1 1 1   30    3    7 o   45.946   6.4027   17.523   4.2670   18.122   4.4947   12.060   13.578   46.543   6.6675   33.294   14.522 13.24824 15.97986 
1 1 1   30    3    8 o   43.315   5.5814   15.376   3.5207   19.946   4.5772   8.7545   5.5094   48.698   6.4637   29.701   10.248 18.99751 12.11599 
1 1 1   30    3    9 o   14.662   6.6967  -1.0865   3.2620  -1.0243   4.2260  -1.1782   5.1308   16.638   7.6082   18.003   8.2876 -1.364954 11.25028 
1 1 1   30    3   10 o   16.864   7.3031   0.9383   3.3835   1.6470   4.6340   0.1291   4.9518   19.353   8.4615   18.380   8.3389 0.9734974 11.87993 
1 1 1   30    4    0 o   10.746   7.4450  -3.1606   4.1141  -3.1606   4.1141  -3.1606   4.1141   10.746   7.4450   10.746   7.4450 0.000000 0.000000 
1 1 1   30    4    1 o   24.092   7.8279   4.7663   3.2192  -0.9451   4.6036   10.231   4.5033   18.270   8.1859   34.218   8.7825 -15.94770 12.00590 
1 1 1   30    4    2 f   22.140   8.3615   3.4565   3.7733   6.1073   4.5384  -2.4778   6.7905   26.948   9.3009   20.772   9.5522 6.175610 13.33231 
1 1 1   30    4    3 o   61.561   4.0596   29.251   3.7052   32.140   4.5906   23.851   6.2763   64.090   4.8397   52.875   8.2288 11.21482 9.546543 
1 1 1   30    4    4 o   13.779   6.6585  -5.5459   4.1492  -4.7201   6.1560  -6.2334   5.6167   18.160   8.5906   16.389   7.8760 1.771833 11.65464 
1 1 1   30    4    5 o   19.569   7.7724   2.3339   3.3873  -0.6703   4.1513   8.3186   5.8593   17.316   7.7648   29.777   10.547 -12.46041 13.09724 
1 1 1   30    4    6 o   15.911   7.1469  -0.6859   3.5326  -3.4111   3.9747   9.5613   7.7074   14.578   6.8983   30.730   11.865 -16.15154 13.72440 
1 1 1   30    4    7 o   33.220   6.9755   9.6168   3.3450   5.6964   4.2149   16.287   5.4979   25.080   8.9390   41.547   9.1251 -16.46683 12.77388 
1 1 1   30    4    8 o   18.609   7.4967   2.2356   3.1977   1.1269   4.1982   3.7676   4.9351   18.613   8.0977   22.370   9.2000 -3.756334 12.25614 
1 1 1   30    4    9 o   27.717   7.9983   7.3976   3.4887   6.8793   4.6254   8.0815   5.3135   25.929   9.3507   27.388   9.9998 -1.458494 13.69061 
1 1 1   30    5    0 o   22.000   10.554   5.6918   3.9921   5.6918   3.9921   5.6918   3.9921   22.000   10.554   22.000   10.554 0.000000 0.000000 
1 1 1   30    5    1 o   26.554   7.0659   6.0260   2.8466   7.4936   3.8231   4.2001   4.2643   29.079   8.3676   23.455   8.8816 5.623423 12.20242 
1 1 1   30    5    2 o   15.266   6.6023   0.1700   2.7578  -3.9591   3.5450   6.4990   4.3890   13.302   6.3563   27.078   9.1508 -13.77619 11.14180 
1 1 1   30    5    3 o   60.212   4.4224   28.401   3.9424   30.444   4.5368   22.099   7.9673   61.977   4.9509   46.944   11.479 15.03384 12.50096 
1 1 1   30    5    4 o   82.418   3.1820   51.937   3.9102   62.504   5.2363   38.616   5.8789   89.845   3.9090   68.941   5.7725 20.90337 6.971495 
1 1 1   30    5    5 o   54.105   6.5102   24.591   5.1463   24.335   6.7561   24.946   7.9431   51.156   9.1959   49.648   11.018 1.507874 14.35144 
1 1 1   30    5    6 o   36.998   6.6945   11.814   3.5569   11.746   4.2037   11.984   6.6737   35.808   8.0674   33.036   11.283 2.771545 13.87078 
1 1 1   30    5    7 o   26.174   7.7326   6.3700   3.2269   3.5661   4.2810   10.059   4.9105   21.503   8.6703   31.307   9.6040 -9.803881 12.93875 
1 1 1   30    5    8 o   19.120   7.8792   2.4760   3.6287   9.3808   4.4144 -11.9110   6.3720   30.175   9.0745   14.461   7.2207 15.71333 11.59682 
1 1 1   30    5    9 o   36.770   6.4314   12.122   3.3975   18.395   5.6272   8.5236   4.2619   41.898   9.2551   28.173   8.9923 13.72502 12.90417 
1 1 1   30    6    0 o   13.159   8.3671   0.7293   3.5916   0.7293   3.5916   0.7293   3.5916   13.159   8.3671   13.159   8.3671 0.000000 0.000000 
1 1 1   30    6    1 o   15.414   6.5535   0.5944   2.6321   1.3336   3.4814  -0.3918   4.0213   18.092   7.6063   17.132   7.6649 0.9604607 10.79845 
1 1 1   30    6    2 o   11.666   5.5522  -2.8062   2.6486  -2.5301   3.4177  -3.2214   4.1910   13.905   6.5222   15.100   7.1260 -1.194782 9.660173 
1 1 1   30    6    3 o   26.729   7.1564   6.3250   2.9087   4.5238   3.8216   8.8052   4.4845   23.049   8.4707   30.273   9.1559 -7.223974 12.47324 
1 1 1   30    6    4 o   27.221   7.9254   6.8200   3.4118   7.5383   3.8626   4.2703   7.2772   28.272   8.4854   24.700   10.703 3.571545 13.65888 
1 1 1   30    6    5 o   21.952   7.9883   4.1812   3.3867   3.9046   3.8601   5.1060   7.0584   21.754   8.3973   24.919   10.667 -3.165247 13.57537 
1 1 1   30    6    6 o   29.363   9.2517   8.8343   4.5226   8.6011   6.1249   9.1138   6.7064   27.936   10.628   28.333   11.032 -0.3969307 15.31861 
1 1 1   30    6    7 o   41.495   5.7708   14.740   3.4736   14.149   4.5599   15.556   5.3617   38.190   8.2494   38.693   9.3893 -0.5027046 12.49844 
1 1 1   30    6    8 o   11.707   5.6746  -3.7412   3.0725  -5.3315   4.7800  -2.6216   4.0108   14.205   6.9286   14.418   6.8532 -0.2130146 9.745392 
1 1 1   30    7    0 o   27.996   9.2358   7.9001   3.4244   7.9001   3.4244   7.9001   3.4244   27.996   9.2358   27.996   9.2358 0.000000 0.000000 
1 1 1   30    7    1 o   15.054   6.2924   0.8743   2.3613   2.4074   3.1160  -1.1937   3.6190   18.786   7.4568   15.319   7.0181 3.467277 10.23998 
1 1 1   30    7    2 o   15.033   6.4315   0.5872   2.5638  -0.8189   3.4014   2.4372   3.9014   15.186   6.8982   19.723   8.1529 -4.536878 10.67962 
1 1 1   30    7    3 o   10.791   5.2044  -3.2187   2.5042  -4.3817   3.2461  -1.5090   3.9357   11.969   5.8090   15.577   7.2020 -3.608030 9.252740 
1 1 1   30    7    4 o   20.324   7.0635   3.5953   2.6197   0.9459   3.3439   7.8057   4.2153   16.856   7.2799   27.813   8.9499 -10.95662 11.53685 
1 1 1   30    7    5 o   22.844   6.9645   4.7967   2.5872   5.6933   3.7582   3.9890   3.5670   24.095   8.4553   21.231   8.1029 2.864695 11.71112 
1 1 1   30    7    6 o   62.608   3.8211   31.197   3.5499   29.939   4.6773   32.905   5.4517   59.609   5.3187   61.541   6.0186 -1.932724 8.031906 
1 1 1   30    7    7 o   18.966   7.8598   2.8166   3.6392  -2.3531   4.7668   10.040   5.6345   15.709   7.4682   28.241   10.300 -12.53234 12.72218 
1 1 1   30    8    0 f   18.281   9.3516   4.0981   3.2249   4.0981   3.2249   4.0981   3.2249   18.281   9.3516   18.281   9.3516 0.000000 0.000000 
1 1 1   30    8    1 o   56.879   3.3436   25.262   2.8230   29.650   4.0157   20.974   3.9694   60.575   4.4780   50.030   5.4075 10.54549 7.020904 
1 1 1   30    8    2 o   20.156   6.7353   3.6135   2.3774   2.6979   3.2067   4.7312   3.5428   18.908   7.5457   22.414   8.1681 -3.506855 11.12006 
1 1 1   30    8    3 o   17.873   6.4099   2.6690   2.1704   3.7983   3.0952   1.5766   3.0444   20.578   7.6126   16.966   7.1219 3.611145 10.42464 
1 1 1   30    8    4 o   13.373   5.8892   0.1028   2.2807   1.8958   3.1952  -1.7597   3.2565   17.492   7.3164   13.628   6.3842 3.863942 9.710221 
1 1 1   30    8    5 o   34.565   5.9916   10.616   2.9759   14.465   3.7914   4.4394   4.8030   39.769   6.6274   21.601   8.9970 18.16799 11.17442 
1 1 1   30    9    0 o   32.606   6.7747   9.3239   2.9048   9.3239   2.9048   9.3239   2.9048   32.606   6.7747   32.606   6.7747 0.000000 0.000000 
1 1 1   30    9    1 o   18.972   6.1824   3.2378   2.0075   8.5338   2.6025  -4.5425   3.1545   31.054   5.8353   11.365   5.5616 19.68890 8.061085 
1 1 1   30    9    2 o   28.705   4.5556   6.8916   1.8846   5.6995   2.6738   8.0685   2.6568   24.309   6.9984   29.835   6.1761 -5.525560 9.333940 
1 1 1   30    9    3 o   15.020   5.9506   1.5666   1.9809   4.4596   2.7838  -1.4008   2.8194   21.335   7.2874   12.790   5.9748 8.545916 9.423641 
1 1 1   31    1    0 o   44.139   8.4156   16.393   4.9538   16.393   4.9538   16.393   4.9538   44.139   8.4156   44.139   8.4156 0.000000 0.000000 
1 1 1   31    1    1 o   14.301   6.5585  -1.8918   3.1715  -0.1272   4.2880  -4.0228   4.7122   18.693   8.1570   16.301   7.6502 2.391682 11.18313 
1 1 1   31    1    2 o   71.123   3.5551   38.367   3.7700   32.327   4.8673   47.424   5.9603   64.526   5.1007   78.199   5.1408 -13.67239 7.241901 
1 1 1   31    1    3 o   39.173   5.8081   12.223   3.2895   12.661   4.1861   11.516   5.3191   39.131   7.4470   36.224   9.6683 2.906757 12.20383 
1 1 1   31    1    4 o   38.328   5.9855   11.806   3.3087   10.764   4.1498   13.624   5.4820   35.615   8.0091   39.336   9.4624 -3.721310 12.39689 
1 1 1   31    1    5 o   18.121   7.5126   1.2299   3.3266   5.8484   4.1849  -6.6969   5.4826   26.377   8.9355   16.037   7.7258 10.33925 11.81234 
1 1 1   31    1    6 o   37.985   6.4787   11.921   3.5376   14.550   4.8025   8.8014   5.2309   40.978   8.1473   30.941   9.9713 10.03666 12.87651 
1 1 1   31    1    7 o   53.608   4.6479   22.654   3.6782   22.630   4.9309   22.684   5.5228   52.309   6.4597   51.627   7.3852 0.6815834 9.811673 
1 1 1   31    1    8 o   53.383   4.7955   22.712   3.7762   21.565   4.8123   24.549   6.0917   50.675   6.5205   52.702   8.0041 -2.026630 10.32393 
1 1 1   31    1    9 o   43.493   5.6182   15.673   3.5581   8.5418   4.6248   26.018   5.5699   29.378   9.3662   54.793   6.9762 -25.41473 11.67875 
1 1 1   31    1   10 o   32.592   7.4370   9.7933   3.5342   9.6923   4.6522   9.9312   5.4347   30.616   9.3402   30.109   10.183 0.5065842 13.81769 
1 1 1   31    2    0 o   11.420   7.8386  -2.6682   4.3099  -2.6682   4.3099  -2.6682   4.3099   11.420   7.8386   11.420   7.8386 0.000000 0.000000 
1 1 1   31    2    1 f   58.098   4.0773   25.959   3.5095   30.139   4.7036   20.710   5.2710   62.085   5.1272   50.223   7.2490 11.86190 8.879018 
1 1 1   31    2    2 o   40.627   5.4170   13.104   3.1995   14.559   4.1606   10.998   5.0053   42.133   6.8591   35.229   9.3673 6.903675 11.61005 
1 1 1   31    2    3 o   17.845   7.2596   1.4340   3.0311   3.3298   3.9087  -1.4260   4.8009   22.086   8.4696   18.176   8.2323 3.910017 11.81122 
1 1 1   31    2    4 o   24.115   7.6872   4.8749   3.1153   3.4571   3.9874   7.0963   4.9912   22.240   8.5483   28.405   9.7567 -6.165668 12.97178 
1 1 1   31    2    5 o   52.978   4.4523   21.957   3.4842   26.378   4.5593   15.751   5.4021   57.497   5.3810   41.950   8.9119 15.54690 10.41041 
1 1 1   31    2    6 f   33.752   7.5797   9.9663   3.7211   14.215   4.4742   0.4348   6.7016   40.397   7.7097   21.977   9.8594 18.42021 12.51587 
1 1 1   31    2    7 o   30.515   7.7801   8.3756   3.5505   10.722   4.5333   4.6518   5.7103   33.790   8.8814   24.471   9.9607 9.319016 13.34520 
1 1 1   31    2    8 o   29.346   7.5229   7.8204   3.3069   7.7518   4.4457   7.9055   4.9479   28.155   9.2015   28.147   9.7116 0.8255005E-02 13.37846 
1 1 1   31    2    9 o   45.078   6.6040   17.745   4.3069   25.885   6.9236   12.607   5.5006   50.991   9.4550   34.290   10.086 16.70111 13.82485 
1 1 1   31    2   10 o   15.383   6.9290  -0.1446   3.3473   4.4730   4.6056  -5.3149   4.8734   22.087   8.9622   14.503   7.0570 7.583276 11.40713 
1 1 1   31    3    0 o   49.438   10.271   21.444   6.6777   21.444   6.6777   21.444   6.6777   49.438   10.271   49.438   10.271 0.000000 0.000000 
1 1 1   31    3    1 o   24.303   8.3621   4.8908   3.6671   8.3126   6.0271   2.8795   4.6208   30.207   10.698   22.155   8.9815 8.052145 13.96794 
1 1 1   31    3    2 o   28.893   8.1990   7.3315   3.6959   9.3240   6.0166   6.1240   4.6838   31.499   10.714   26.689   9.4325 4.810688 14.27430 
1 1 1   31    3    3 o   33.563   7.2701   9.6492   3.5329   17.571   5.3093   3.3544   4.7327   44.868   8.2403   22.703   9.1294 22.16507 12.29831 
1 1 1   31    3    4 o   59.557   3.9704   27.543   3.5055   32.571   4.6998   21.239   5.2628   64.090   4.9569   49.993   7.2739 14.09684 8.802275 
1 1 1   31    3    5 o   19.468   7.8984   2.2149   3.5765   5.7148   4.2255  -6.6274   6.7162   25.366   8.9598   17.684   8.5272 7.682489 12.36895 
1 1 1   31    3    6 o   61.499   4.4483   29.932   4.0513   33.503   5.0639   23.581   6.7527   64.285   5.3314   49.883   9.4247 14.40187 10.82816 
1 1 1   31    3    7 o   18.665   7.7742   1.8879   3.5861   5.2140   4.3062  -5.6392   6.4779   23.995   8.9588   17.368   8.3748 6.626709 12.26368 
1 1 1   31    3    8 o   20.829   7.9009   3.6716   3.3783   4.2465   4.4147   2.8593   5.2479   22.254   8.8623   21.258   9.1505 0.9965916 12.73864 
1 1 1   31    3    9 o   13.976   6.5460  -1.8480   3.4211   3.5231   4.6362  -8.2692   5.0691   20.993   8.7992   13.540   6.7065 7.452886 11.06355 
1 1 1   31    4    0 o   22.589   11.706   6.2693   5.0945   6.2693   5.0945   6.2693   5.0945   22.589   11.706   22.589   11.706 0.000000 0.000000 
1 1 1   31    4    1 o   34.667   8.3547   10.831   4.2675   12.683   4.5299  -3.7856   12.724   37.645   8.2944   25.338   12.089 12.30728 14.66121 
1 1 1   31    4    2 o   61.908   4.0100   29.851   3.6815   36.217   4.6788   19.502   5.9651   67.715   4.6627   46.197   8.9838 21.51822 10.12169 
1 1 1   31    4    3 o   36.840   7.5940   11.954   4.0326   16.008   6.6677   9.6160   5.0636   39.559   10.938   31.444   9.7704 8.115330 14.66640 
1 1 1   31    4    4 o   42.746   5.3828   14.919   3.3545   18.957   4.4982   9.8582   5.0351   47.323   6.5510   31.605   9.7301 15.71820 11.72989 
1 1 1   31    4    5 o   38.740   6.8460   13.032   3.8096   17.460   4.4515   0.9144   7.3643   44.932   6.8625   22.244   10.122 22.68779 12.22893 
1 1 1   31    4    6 o   34.444   7.7466   10.926   3.8819   13.731   4.2557  -2.9665   9.4715   38.866   7.6165   21.671   10.365 17.19496 12.86221 
1 1 1   31    4    7 o   29.891   8.2007   8.6885   3.7650   10.264   4.3987   4.3710   7.2810   31.863   8.9108   23.706   10.477 8.157394 13.75360 
1 1 1   31    4    8 o   27.678   7.7960   7.5079   3.3544   8.1885   4.4242   6.5877   5.1443   27.556   9.1877   24.751   9.6548 2.804970 13.32776 
1 1 1   31    5    0 f   9.4251   6.6195  -3.5197   3.5731  -3.5197   3.5731  -3.5197   3.5731   9.4251   6.6195   9.4251   6.6195 0.000000 0.000000 
1 1 1   31    5    1 o   22.741   7.2655   4.5383   2.7818   3.5692   3.6685   5.8495   4.2670   21.331   8.1993   25.210   8.9931 -3.878790 12.16982 
1 1 1   31    5    2 f   30.348   6.6716   8.0271   2.9365   6.9560   3.9067   9.4183   4.4523   27.131   8.6041   31.154   9.0488 -4.022236 12.48646 
1 1 1   31    5    3 o   17.406   7.4458   1.0792   3.4354   2.1826   3.8925  -2.8081   7.3062   19.464   8.1026   19.863   9.3847 -0.3991489 12.39863 
1 1 1   31    5    4 o   26.198   7.5448   6.3331   3.1071   6.9012   4.1100   5.5755   4.7467   26.588   8.8550   24.433   9.3420 2.155123 12.87180 
1 1 1   31    5    5 o   17.428   7.9166  -0.2914   4.4805  -0.9053   5.8350   0.5908   6.9941   18.822   8.7259   21.023   9.6774 -2.201000 13.03044 
1 1 1   31    5    6 o   54.055   4.8987   24.048   3.9052   25.178   4.6952   21.513   7.0344   54.202   5.9054   43.616   10.859 10.58593 12.36097 
1 1 1   31    5    7 o   19.536   7.9518   3.0702   3.6391   3.2345   4.2136   2.5880   7.2193   20.157   8.4139   21.531   9.8817 -1.373711 12.97849 
1 1 1   31    6    0 o   42.068   7.2325   14.992   4.1340   14.992   4.1340   14.992   4.1340   42.068   7.2325   42.068   7.2325 0.000000 0.000000 
1 1 1   31    6    1 o   29.883   6.1819   7.7651   2.6635   4.6810   3.6094   11.453   3.9467   22.672   8.2472   35.132   7.7432 -12.46012 11.31255 
1 1 1   31    6    2 o   16.108   6.7367   1.2100   2.7084  -0.6398   3.6234   3.5521   4.0772   15.653   7.1138   21.101   8.4778 -5.448587 11.06708 
1 1 1   31    6    3 o   48.368   4.3299   18.821   3.0894   21.747   4.1746   15.279   4.5937   50.810   5.6038   40.305   7.9267 10.50449 9.707449 
1 1 1   31    6    4 o   22.429   7.5668   4.7246   3.0010   9.6032   3.9983  -1.5690   4.5413   30.994   8.4293   16.292   7.6016 14.70264 11.35064 
1 1 1   31    6    5 f   47.111   4.7887   18.362   3.3169   23.538   4.3889   11.469   5.0651   52.329   5.7184   31.971   9.7442 20.35787 11.29820 
1 1 1   31    6    6 o   20.227   8.5240   3.4094   4.3890   2.9284   6.5620   3.7989   5.9040   21.039   9.5662   21.383   9.4429 -0.3442135 13.44179 
1 1 1   31    7    0 o   10.711   7.1961  -0.8565   3.2553  -0.8565   3.2553  -0.8565   3.2553   10.711   7.1961   10.711   7.1961 0.000000 0.000000 
1 1 1   31    7    1 o   19.228   6.8525   3.2461   2.4768   9.5571   3.4629  -3.3640   3.5440   31.694   7.4534   13.085   6.2798 18.60864 9.746233 
1 1 1   31    7    2 o   23.349   7.0029   5.1440   2.6315   5.8140   3.5379   4.3143   3.9371   24.018   8.2153   21.497   8.4294 2.521704 11.77057 
1 1 1   31    7    3 o   16.171   6.7018   1.5569   2.6460   9.0169   3.6261  -6.9396   3.8698   29.991   7.9722   11.752   5.8277 18.23960 9.875101 
1 1 1   31    7    4 o   13.649   6.2013  -0.4468   2.7507   1.0552   3.5311  -2.7649   4.3867   16.669   7.3345   14.839   7.0852 1.829688 10.19782 
1 1 1   31    8    0 o   66.396   4.4011   34.369   4.3129   34.369   4.3129   34.369   4.3129   66.396   4.4011   66.396   4.4011 0.000000 0.000000 
1 1 1   31    8    1 o   29.851   5.8252   7.9995   2.4996   10.840   3.5682   5.2620   3.5027   33.205   7.3967   22.406   8.1283 10.79977 10.99006 
1 1 1   31    8    2 o   12.038   5.5722  -0.9980   2.3660  -1.9064   3.1619   0.1578   3.5667   13.030   6.1615   15.571   7.0695 -2.541349 9.377759 
1 1 1   32    1    0 o   17.329   10.165   3.0188   4.4223   3.0188   4.4223   3.0188   4.4223   17.329   10.165   17.329   10.165 0.000000 0.000000 
1 1 1   32    1    1 o   47.895   4.8910   18.054   3.4437   28.429   4.9035   7.9563   4.8373   59.766   5.5669   29.806   9.5871 29.95954 11.08619 
1 1 1   32    1    2 o   62.754   4.1979   30.521   3.9051   34.879   4.8156   22.152   6.6739   66.666   4.8787   49.861   9.3200 16.80531 10.51971 
1 1 1   32    1    3 o   28.710   7.2622   7.0772   3.1108   13.384   4.1263  -1.2272   4.7350   39.777   7.2236   18.007   8.1636 21.77051 10.90067 
1 1 1   32    1    4 o   22.252   7.7145   4.0563   3.1240   4.1135   3.9995   3.9669   5.0030   22.970   8.6226   23.627   9.4264 -0.6567078 12.77518 
1 1 1   32    1    5 o   24.003   8.4511   4.9412   3.7564   5.2726   5.3614   4.6217   5.2645   25.268   9.8564   24.401   9.6902 0.8668556 13.82210 
1 1 1   32    1    6 o   46.997   5.3750   17.971   3.6987   21.210   4.6662   12.498   6.0665   50.291   6.3656   34.817   10.674 15.47384 12.42785 
1 1 1   32    1    7 f   54.917   4.5161   24.056   3.6650   30.140   5.0632   17.360   5.3119   60.389   5.6905   43.155   8.5577 17.23391 10.27697 
1 1 1   32    1    8 o   32.033   8.0988   9.7546   3.8702   18.042   4.8993  -4.0008   6.3119   44.442   7.6712   17.703   8.4655 26.73829 11.42420 
1 1 1   32    1    9 o   19.780   7.8354   3.1748   3.4340   4.9883   4.5422   0.7554   5.2464   22.862   9.0256   18.991   8.6031 3.870390 12.46896 
1 1 1   32    2    0 o   47.255   9.4401   19.443   5.9024   19.443   5.9024   19.443   5.9024   47.255   9.4401   47.255   9.4401 0.000000 0.000000 
1 1 1   32    2    1 o   19.896   7.4277   2.8933   2.9599   2.2405   3.9511   3.7282   4.4685   20.192   8.2597   22.784   8.9656 -2.591692 12.19034 
1 1 1   32    2    2 o   21.899   7.6095   3.9398   3.0403   6.2301   4.0410   0.9524   4.6152   26.395   8.7799   19.623   8.5135 6.771889 12.22972 
1 1 1   32    2    3 o   29.319   7.0525   7.4652   3.0453   2.0822   3.9689   15.172   4.7488   19.867   8.2186   41.429   7.9774 -21.56200 11.45358 
1 1 1   32    2    4 o   11.591   5.6822  -5.6678   3.3353  -6.2380   4.6655  -5.0718   4.7699   14.259   6.9303   15.093   7.2546 -0.8342142 10.03283 
1 1 1   32    2    5 o   30.188   7.6388   8.2415   3.4410   3.7538   4.4071   15.250   5.5073   22.212   8.8518   39.688   9.4438 -17.47589 12.94370 
1 1 1   32    2    6 o   27.929   8.4249   7.4411   3.8007   9.5681   4.5478   2.5153   6.9209   31.061   9.1810   22.770   10.131 8.290535 13.67212 
1 1 1   32    2    7 o   21.586   8.2534   4.0278   3.7048   7.0087   4.5043  -2.2066   6.5140   26.310   9.2553   18.865   8.8972 7.445274 12.83825 
1 1 1   32    2    8 o   15.162   6.8469  -0.3037   3.2931  -3.5532   4.3505   4.0565   5.0395   14.609   6.9969   21.896   9.1756 -7.287197 11.53895 
1 1 1   32    3    0 o   11.455   7.8670  -2.4877   4.3568  -2.4877   4.3568  -2.4877   4.3568   11.455   7.8670   11.455   7.8670 0.000000 0.000000 
1 1 1   32    3    1 o   35.862   5.9748   10.750   3.0823   12.281   4.0185   8.5608   4.8039   37.301   7.4858   29.673   9.5550 7.628183 12.13813 
1 1 1   32    3    2 o   39.307   6.3532   13.077   3.5963   13.585   5.3083   12.647   4.8895   37.397   9.5012   36.470   9.0379 0.9271202 13.11319 
1 1 1   32    3    3 f   35.138   6.3390   10.536   3.1989   16.142   4.3174   3.7136   4.7631   43.153   6.9461   22.385   9.1026 20.76792 11.45013 
1 1 1   32    3    4 o   42.458   6.0833   15.237   3.7410   16.821   4.5773   12.051   6.4921   43.573   7.3042   32.901   11.129 10.67188 13.31218 
1 1 1   32    3    5 o   47.152   5.8351   18.728   4.0147   20.841   4.7439   13.394   7.5361   48.943   6.6749   33.026   11.932 15.91750 13.67188 
1 1 1   32    3    6 o   50.613   5.8598   21.798   4.3402   24.141   4.8610   12.587   9.6377   52.794   6.2998   29.977   12.632 22.81726 14.11576 
1 1 1   32    3    7 o   14.108   6.6576  -2.2728   3.6569  -2.6862   4.3921  -1.3387   6.6026   15.176   7.2014   18.923   8.9345 -3.746662 11.47542 
1 1 1   32    4    0 o   44.638   12.259   19.711   7.0546   19.711   7.0546   19.711   7.0546   44.638   12.259   44.638   12.259 0.000000 0.000000 
1 1 1   32    4    1 o   31.446   7.7968   9.1652   3.6375   11.216   4.3040   4.0394   6.8047   34.290   8.4685   23.785   10.328 10.50584 13.35633 
1 1 1   32    4    2 o   23.124   8.4539   4.8632   3.7994   12.286   6.6463   1.2604   4.6306   32.618   11.256   19.210   8.4270 13.40854 14.06067 
1 1 1   32    4    3 o   32.196   7.9482   9.7860   3.7924   7.9617   6.4476   10.751   4.6894   27.146   10.742   32.517   9.2384 -5.370356 14.16806 
1 1 1   32    4    4 o   32.655   6.7827   9.5673   3.1944   12.940   4.1545   4.6890   4.9961   37.207   7.7411   22.924   9.3224 14.28247 12.11737 
1 1 1   32    4    5 o   22.932   7.8285   5.0291   3.2125   3.1447   4.1591   7.8159   5.0578   20.291   8.4052   26.678   9.7538 -6.386860 12.87571 
1 1 1   32    4    6 o   22.915   8.0394   5.2095   3.3975   8.1450   4.2960   0.3084   5.5511   27.383   9.0500   18.670   8.6042 8.713020 12.48735 
1 1 1   32    5    0 f   13.015   8.4320   0.4462   3.8723   0.4462   3.8723   0.4462   3.8723   13.015   8.4320   13.015   8.4320 0.000000 0.000000 
1 1 1   32    5    1 o   45.134   4.5601   16.587   3.0266   22.133   4.1938   10.559   4.3722   51.155   5.5895   32.182   8.8406 18.97317 10.45939 
1 1 1   32    5    2 o   14.160   6.5581  -1.3418   3.2842  -1.8768   3.6874   0.7109   7.2230   14.532   6.8030   20.812   9.6692 -6.280668 11.82265 
1 1 1   32    5    3 o   45.367   4.7461   16.970   3.1628   20.760   4.2859   12.439   4.6865   48.880   6.0073   34.564   9.0041 14.31646 10.82413 
1 1 1   32    5    4 o   36.772   6.0897   11.959   3.2219   10.674   4.2061   13.783   5.0121   32.078   8.6129   35.764   9.3090 -3.686436 12.68230 
1 1 1   32    5    5 o   12.297   5.9127  -3.1054   3.1748  -0.3724   4.2539  -6.5417   4.7700   16.340   7.5311   13.511   6.6571 2.828794 10.05159 
1 1 1   32    6    0 o   14.988   8.9823   2.3757   3.5911   2.3757   3.5911   2.3757   3.5911   14.988   8.9823   14.988   8.9823 0.000000 0.000000 
1 1 1   32    6    1 o   18.939   7.0216   3.1862   2.6361   0.9747   3.5078   6.0554   3.9956   16.594   7.3056   23.851   8.6771 -7.257214 11.34300 
1 1 1   32    6    2 o   15.150   6.5652   0.8241   2.7379   1.9226   3.7287  -0.4610   4.0331   17.884   7.7056   15.930   7.3388 1.953380 10.64121 
1 1 1   32    6    3 o   16.059   7.0745   0.9087   3.2942   2.4738   3.7952  -3.8723   6.6332   18.476   7.8627   17.044   8.2793 1.431601 11.41795 
1 1 1   33    1    0 o   16.218   9.8189   2.4132   4.3794   2.4132   4.3794   2.4132   4.3794   16.218   9.8189   16.218   9.8189 0.000000 0.000000 
1 1 1   33    1    1 o   21.689   7.5746   3.9374   3.0143   4.8286   3.9821   2.7415   4.6128   23.719   8.6574   21.338   8.8464 2.381186 12.37774 
1 1 1   33    1    2 o   28.614   7.2036   7.2397   3.0712   7.8966   4.0145   6.3129   4.7688   29.050   8.6352   26.137   9.4840 2.913145 12.82628 
1 1 1   33    1    3 o   26.841   7.4907   6.4861   3.1117   6.3739   4.1193   6.6353   4.7488   26.118   8.8650   26.467   9.4824 -0.3490314 12.98096 
1 1 1   33    1    4 o   44.585   5.3342   16.311   3.4755   21.276   4.5141   9.0853   5.4463   50.262   6.1520   29.657   10.191 20.60508 11.90438 
1 1 1   33    1    5 o   28.076   9.2067   7.8867   4.4493   12.710   5.7894   0.9282   6.9541   34.397   10.403   21.511   9.8067 12.88630 14.29655 
1 1 1   33    1    6 f   23.572   8.3518   5.2696   3.6741   9.5853   4.6132  -2.2165   6.0758   30.415   9.3053   18.257   8.6049 12.15821 12.67408 
1 1 1   33    1    7 f   18.283   7.8893   1.6821   3.9203   4.4968   4.8242  -3.7912   6.7271   22.281   9.1219   17.883   8.6006 4.397711 12.53713 
1 1 1   33    2    0 o   14.032   9.0499   0.6189   4.3929   0.6189   4.3929   0.6189   4.3929   14.032   9.0499   14.032   9.0499 0.000000 0.000000 
1 1 1   33    2    1 o   43.707   5.1349   15.611   3.2824   22.475   4.6086   8.5451   4.6763   51.643   6.1033   29.217   9.4291 22.42593 11.23208 
1 1 1   33    2    2 o   29.156   7.3657   7.7322   3.2030   10.444   4.3866   4.6355   4.6879   32.793   8.7919   23.234   9.1703 9.558704 12.70401 
1 1 1   33    2    3 o   17.152   7.4598   0.8030   3.5608   10.385   5.5535  -5.8863   4.6400   31.020   10.291   14.114   6.8717 16.90553 12.37467 
1 1 1   33    2    4 o   21.873   7.7780   4.3107   3.1894   6.0088   4.1346   1.8153   5.0120   24.798   8.8518   20.013   8.7737 4.784216 12.46321 
1 1 1   33    2    5 o   45.373   5.9012   17.651   3.8977   26.619   4.7873   0.0177   6.7130   55.884   5.8316   20.103   9.3336 35.78062 11.00563 
1 1 1   33    2    6 o   31.799   7.5911   9.7082   3.5492   6.7259   4.5999   14.096   5.5794   25.056   9.2781   35.273   10.096 -10.21792 13.71198 
1 1 1   33    2    7 o   31.702   8.4267   10.476   4.0514   14.018   4.8389   2.1690   7.4094   36.169   9.0071   20.973   9.7603 15.19638 13.28124 
1 1 1   33    3    0 o   15.597   9.9361   1.5060   5.0950   1.5060   5.0950   1.5060   5.0950   15.597   9.9361   15.597   9.9361 0.000000 0.000000 
1 1 1   33    3    1 o   52.673   5.4971   23.242   4.2534   24.263   5.7937   22.048   6.2644   51.117   7.8531   46.914   9.2846 4.203518 12.16033 
1 1 1   33    3    2 o   48.067   5.2937   19.276   3.7309   18.541   4.5326   20.822   6.5701   45.554   6.8885   44.134   10.190 1.419846 12.30031 
1 1 1   33    3    3 f   12.109   5.8670  -4.0390   3.2745  -0.1440   4.0016 -11.9338   5.6970   16.587   7.5137   13.346   6.6879 3.240702 10.05904 
1 1 1   33    3    4 o   10.883   5.3782  -5.7704   3.1948   0.5825   4.2559 -13.9719   4.8357   17.494   7.8522   11.263   5.7071 6.231139 9.707100 
1 1 1   33    3    5 o   27.411   7.8830   7.5536   3.3941   8.1744   4.4512   6.6913   5.2460   27.089   9.2151   24.429   9.6821 2.659283 13.36646 
1 1 1   33    4    0 o   22.133   12.828   6.8119   6.9079   6.8119   6.9079   6.8119   6.9079   22.133   12.828   22.133   12.828 0.000000 0.000000 
1 1 1   33    4    1 o   12.396   6.0006  -3.8872   3.4062  -0.6844   5.9640  -5.4376   4.1496   18.450   8.6418   13.050   6.3847 5.399603 10.74455 
1 1 1   33    4    2 o   26.838   8.2109   7.4068   3.5920   11.407   6.1320   5.3170   4.4319   29.811   10.764   22.802   8.9428 7.009447 13.99422 
1 1 1   33    4    3 o   12.877   6.0597  -1.8320   2.9915   0.5985   3.8756  -5.4146   4.7053   16.710   7.4972   13.946   6.8178 2.764643 10.13363 
1 1 1   33    4    4 o   34.339   6.5203   10.897   3.2162   10.215   4.2427   11.817   4.9312   30.478   8.8277   31.757   9.6003 -1.278959 13.04203 
1 1 1   33    5    0 o   13.230   8.5267   0.8476   3.8899   0.8476   3.8899   0.8476   3.8899   13.230   8.5267   13.230   8.5267 0.000000 0.000000 
1 1 1   33    5    1 o   24.310   7.1529   5.8870   2.7661   0.7835   3.6721   12.581   4.2057   16.336   7.3158   34.645   8.2587 -18.30839 11.03295 
1 1 1   34    1    0 f   68.221   5.2959   36.487   5.3121   36.487   5.3121   36.487   5.3121   68.221   5.2959   68.221   5.2959 0.000000 0.000000 
1 1 1   34    1    1 o   28.906   7.4489   7.7755   3.2304   7.0281   4.3889   8.6589   4.7721   26.331   9.1431   28.711   9.5406 -2.380066 13.21437 
1 1 1   34    1    2 o   15.578   6.8629   0.2941   3.1005  -0.2394   4.1445   0.9720   4.6724   16.870   7.6440   18.729   8.3291 -1.859112 11.30513 
1 1 1   34    1    3 o   14.233   6.5325  -1.0190   3.1557  -1.6365   4.2122  -0.2290   4.7642   15.746   7.3382   17.706   8.0895 -1.959950 10.92194 
1 1 1   34    1    4 o   18.360   7.7520   2.0486   3.6412   11.747   5.4574  -5.7323   4.8883   32.014   10.171   14.340   6.9975 17.67384 12.34565 
1 1 1   34    1    5 o   29.155   7.9161   8.4725   3.5297   11.408   4.7554   4.8713   5.2671   32.253   9.3471   22.460   9.3939 9.792576 13.25194 
1 1 1   34    1    6 o   51.077   5.6484   22.734   4.2295   27.141   5.2160   14.274   7.2269   54.555   6.5432   31.093   11.607 23.46158 13.32390 
1 1 1   34    2    0 o   12.779   8.5412  -0.6489   4.4810  -0.6489   4.4810  -0.6489   4.4810   12.779   8.5412   12.779   8.5412 0.000000 0.000000 
1 1 1   34    2    1 o   13.631   6.3143  -1.2782   3.0470  -2.8906   4.0569   0.8086   4.6152   14.413   6.8628   18.142   8.1573 -3.729169 10.66017 
1 1 1   34    2    2 o   10.567   5.2765  -7.4364   3.4029 -14.5952   5.0542  -1.5003   4.6023   11.445   5.8027   16.232   7.5994 -4.787498 9.561538 
1 1 1   34    2    3 o   28.799   7.5999   8.1425   3.3108   7.9536   4.4680   8.3725   4.9303   26.723   9.2282   26.911   9.6597 -0.1875515 13.35925 
1 1 1   34    2    4 o   15.120   6.8864  -0.2644   3.4188  -2.4291   4.0998   4.6770   6.1943   14.569   6.9263   22.104   9.7203 -7.534346 11.93561 
1 1 1   34    3    0 o   19.513   10.656   5.0610   4.4134   5.0610   4.4134   5.0610   4.4134   19.513   10.656   19.513   10.656 0.000000 0.000000 
1 1 1   34    3    1 o   22.465   8.0774   5.2248   3.4487   2.5530   4.2535   10.351   5.8919   18.950   8.1973   27.913   10.468 -8.962980 13.29561 
1 1 1   34    3    2 o   16.002   6.9264   1.2055   3.0403   11.312   4.0823 -11.3825   4.5560   32.761   8.3368   11.299   5.7032 21.46233 10.10092 
1 1 1   35    1    0 o   26.148   11.458   8.5077   4.6607   8.5077   4.6607   8.5077   4.6607   26.148   11.458   26.148   11.458 0.000000 0.000000 
1 1 1   35    1    1 o   14.761   6.6592  -0.0422   3.1060  -5.2164   4.1370   6.6423   4.7021   12.990   6.3593   24.181   9.2856 -11.19107 11.25447 
1 1 1   35    1    2 o   20.976   7.6395   4.3306   3.0984   3.9992   4.0674   4.7888   4.7826   20.565   8.3927   21.694   9.0019 -1.128483 12.30744 
1 1 1   35    1    3 o   11.295   5.5256  -4.2784   3.1062  -5.7834   4.1457  -2.3522   4.6901   12.628   6.2188   15.359   7.3314 -2.731557 9.613650 
#END OF REFLECTIONS
