data_r5af5sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      5af5 
_cell.length_a      28.4200 
_cell.length_b      42.4800 
_cell.length_c      50.5200 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.96862 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.680 
_diffrn_reflns.pdbx_d_res_low    23.621 
_diffrn_reflns.limit_h_max       16 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       25 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       30 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            7395 
_diffrn_reflns.pdbx_number_obs   7363 
# 
_entry.id   5af5 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5af5 
_symmetry.space_group_name_H-M   'P 21 21 21' 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 'X+1/2,  -Y+1/2,  -Z' 
3 '-X,  Y+1/2,  -Z+1/2' 
4 '-X+1/2,  -Y,  Z+1/2' 
# 
#
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    4 o   54.868   1.1866  412.777   17.809  412.777   17.809  412.777   17.809   54.868   1.1866   54.868   1.1866 0.000000 0.000000 
1 1 1    0    0    6 o  660.939   11.901 60039.16  2152.33 60039.16  2152.33 60039.16  2152.33  660.939   11.901  660.939   11.901 0.000000 0.000000 
1 1 1    0    0    8 o   89.127   1.7727  1089.02   43.226  1089.02   43.226  1089.02   43.226   89.127   1.7727   89.127   1.7727 0.000000 0.000000 
1 1 1    0    0   10 o  632.213   11.383 54925.54  1969.22 54925.54  1969.22 54925.54  1969.22  632.213   11.383  632.213   11.383 0.000000 0.000000 
1 1 1    0    0   12 o  148.583   2.7866  3026.28  113.288  3026.28  113.288  3026.28  113.288  148.583   2.7866  148.583   2.7866 0.000000 0.000000 
1 1 1    0    0   14 o  288.631   7.4217 11442.51  585.715 11442.51  585.715 11442.51  585.715  288.631   7.4217  288.631   7.4217 0.000000 0.000000 
1 1 1    0    0   16 o  121.170   2.3979  2013.16   79.492  2013.16   79.492  2013.16   79.492  121.170   2.3979  121.170   2.3979 0.000000 0.000000 
1 1 1    0    0   18 o   40.302   2.0306  224.191   22.280  224.191   22.280  224.191   22.280   40.302   2.0306   40.302   2.0306 0.000000 0.000000 
1 1 1    0    0   20 o   96.753   2.0704  1284.46   54.797  1284.46   54.797  1284.46   54.797   96.753   2.0704   96.753   2.0704 0.000000 0.000000 
1 1 1    0    0   22 o   57.069   1.9562  447.959   30.489  447.959   30.489  447.959   30.489   57.069   1.9562   57.069   1.9562 0.000000 0.000000 
1 1 1    0    0   24 o   27.617   3.7596  110.628   26.943  110.628   26.943  110.628   26.943   27.617   3.7596   27.617   3.7596 0.000000 0.000000 
1 1 1    0    0   26 o   20.774   5.7837   72.294   28.463   72.294   28.463   72.294   28.463   20.774   5.7837   20.774   5.7837 0.000000 0.000000 
1 1 1    0    0   28 o   66.129   2.9695  612.051   53.527  612.051   53.527  612.051   53.527   66.129   2.9695   66.129   2.9695 0.000000 0.000000 
1 1 1    0    0   30 o   11.864   5.7646   31.272   21.955   31.272   21.955   31.272   21.955   11.864   5.7646   11.864   5.7646 0.000000 0.000000 
1 1 1    0    1    2 o  298.763   4.3937 12236.79  359.280 12236.79  359.280 12236.79  359.280  298.763   4.3937  298.763   4.3937 0.000000 0.000000 
1 1 1    0    1    3 f  515.345   6.5457 36431.06  923.390 36431.06  923.390 36431.06  923.390  515.345   6.5457  515.345   6.5457 0.000000 0.000000 
1 1 1    0    1    4 o  177.019   2.2772  4293.28  110.343  4293.28  110.343  4293.28  110.343  177.019   2.2772  177.019   2.2772 0.000000 0.000000 
1 1 1    0    1    5 o   68.637   0.9929  645.452   18.652  645.452   18.652  645.452   18.652   68.637   0.9929   68.637   0.9929 0.000000 0.000000 
1 1 1    0    1    6 o  258.574   3.8160  9165.86  270.068  9165.86  270.068  9165.86  270.068  258.574   3.8160  258.574   3.8160 0.000000 0.000000 
1 1 1    0    1    7 o  511.238   6.5073 35886.67  910.662 35886.67  910.662 35886.67  910.662  511.238   6.5073  511.238   6.5073 0.000000 0.000000 
1 1 1    0    1    8 o  219.107   2.8151  6579.87  168.842  6579.87  168.842  6579.87  168.842  219.107   2.8151  219.107   2.8151 0.000000 0.000000 
1 1 1    0    1    9 o  405.000   5.9609 22518.20  660.757 22518.20  660.757 22518.20  660.757  405.000   5.9609  405.000   5.9609 0.000000 0.000000 
1 1 1    0    1   10 o  328.100   4.8372 14762.78  434.386 14762.78  434.386 14762.78  434.386  328.100   4.8372  328.100   4.8372 0.000000 0.000000 
1 1 1    0    1   11 o  252.362   3.2390  8727.03  223.753  8727.03  223.753  8727.03  223.753  252.362   3.2390  252.362   3.2390 0.000000 0.000000 
1 1 1    0    1   12 o  257.762   3.3093  9104.75  233.497  9104.75  233.497  9104.75  233.497  257.762   3.3093  257.762   3.3093 0.000000 0.000000 
1 1 1    0    1   13 o   31.231   1.5465  134.540   13.152  134.540   13.152  134.540   13.152   31.231   1.5465   31.231   1.5465 0.000000 0.000000 
1 1 1    0    1   14 o  151.286   2.8574  3138.17  118.280  3138.17  118.280  3138.17  118.280  151.286   2.8574  151.286   2.8574 0.000000 0.000000 
1 1 1    0    1   15 o  265.251   3.4114  9644.56  247.698  9644.56  247.698  9644.56  247.698  265.251   3.4114  265.251   3.4114 0.000000 0.000000 
1 1 1    0    1   16 o   11.646   4.6677   25.768   14.458   25.768   14.458   25.768   14.458   11.646   4.6677   11.646   4.6677 0.000000 0.000000 
1 1 1    0    1   17 o   90.633   1.6140  1126.25   40.029  1126.25   40.029  1126.25   40.029   90.633   1.6140   90.633   1.6140 0.000000 0.000000 
1 1 1    0    1   18 o   47.736   1.3125  312.846   17.128  312.846   17.128  312.846   17.128   47.736   1.3125   47.736   1.3125 0.000000 0.000000 
1 1 1    0    1   19 o  126.421   1.7496  2191.59   60.542  2191.59   60.542  2191.59   60.542  126.421   1.7496  126.421   1.7496 0.000000 0.000000 
1 1 1    0    1   20 o   71.992   1.2947  710.752   25.505  710.752   25.505  710.752   25.505   71.992   1.2947   71.992   1.2947 0.000000 0.000000 
1 1 1    0    1   21 o   8.4410   5.0184   10.764   20.272   10.764   20.272   10.764   20.272   8.4410   5.0184   8.4410   5.0184 0.000000 0.000000 
1 1 1    0    1   22 o   48.514   1.4600  323.503   19.356  323.503   19.356  323.503   19.356   48.514   1.4600   48.514   1.4600 0.000000 0.000000 
1 1 1    0    1   23 o   59.638   1.4744  488.579   24.045  488.579   24.045  488.579   24.045   59.638   1.4744   59.638   1.4744 0.000000 0.000000 
1 1 1    0    1   24 o   82.223   1.7369  929.173   39.067  929.173   39.067  929.173   39.067   82.223   1.7369   82.223   1.7369 0.000000 0.000000 
1 1 1    0    1   25 o   36.179   2.4237  182.667   23.765  182.667   23.765  182.667   23.765   36.179   2.4237   36.179   2.4237 0.000000 0.000000 
1 1 1    0    1   26 o   9.7873   5.2825   19.569   19.700   19.569   19.700   19.569   19.700   9.7873   5.2825   9.7873   5.2825 0.000000 0.000000 
1 1 1    0    1   27 f   6.2623   4.2615 -10.8649   22.323 -10.8649   22.323 -10.8649   22.323   6.2623   4.2615   6.2623   4.2615 0.000000 0.000000 
1 1 1    0    1   28 o   36.382   2.0521  185.769   20.295  185.769   20.295  185.769   20.295   36.382   2.0521   36.382   2.0521 0.000000 0.000000 
1 1 1    0    1   29 o   6.5342   4.2944   0.1256   19.416   0.1256   19.416   0.1256   19.416   6.5342   4.2944   6.5342   4.2944 0.000000 0.000000 
1 1 1    0    1   30 o   9.7401   5.1605   22.848   18.487   22.848   18.487   22.848   18.487   9.7401   5.1605   9.7401   5.1605 0.000000 0.000000 
1 1 1    0    2    0 o  129.767   2.3738  2308.14   84.290  2308.14   84.290  2308.14   84.290  129.767   2.3738  129.767   2.3738 0.000000 0.000000 
1 1 1    0    2    1 o  244.741   4.4178  8214.35  295.856  8214.35  295.856  8214.35  295.856  244.741   4.4178  244.741   4.4178 0.000000 0.000000 
1 1 1    0    2    2 o  338.874   4.9825 15745.96  462.132 15745.96  462.132 15745.96  462.132  338.874   4.9825  338.874   4.9825 0.000000 0.000000 
1 1 1    0    2    3 o  274.092   3.4924 10295.24  262.027 10295.24  262.027 10295.24  262.027  274.092   3.4924  274.092   3.4924 0.000000 0.000000 
1 1 1    0    2    4 o  685.067   8.7064 64447.24  1632.70 64447.24  1632.70 64447.24  1632.70  685.067   8.7064  685.067   8.7064 0.000000 0.000000 
1 1 1    0    2    5 o  289.410   3.6899 11479.25  292.322 11479.25  292.322 11479.25  292.322  289.410   3.6899  289.410   3.6899 0.000000 0.000000 
1 1 1    0    2    6 f   61.223   1.0918  513.728   18.292  513.728   18.292  513.728   18.292   61.223   1.0918   61.223   1.0918 0.000000 0.000000 
1 1 1    0    2    7 o   46.666   1.0509  298.645   13.414  298.645   13.414  298.645   13.414   46.666   1.0509   46.666   1.0509 0.000000 0.000000 
1 1 1    0    2    8 o   11.991   2.5476   22.157   7.3543   22.157   7.3543   22.157   7.3543   11.991   2.5476   11.991   2.5476 0.000000 0.000000 
1 1 1    0    2    9 o  155.289   2.3452  3304.95   99.677  3304.95   99.677  3304.95   99.677  155.289   2.3452  155.289   2.3452 0.000000 0.000000 
1 1 1    0    2   10 o   51.436   1.1969  362.841   16.838  362.841   16.838  362.841   16.838   51.436   1.1969   51.436   1.1969 0.000000 0.000000 
1 1 1    0    2   11 o  189.923   2.4634  4942.15  128.070  4942.15  128.070  4942.15  128.070  189.923   2.4634  189.923   2.4634 0.000000 0.000000 
1 1 1    0    2   12 o   9.3737   4.0712   17.214   10.811   17.214   10.811   17.214   10.811   9.3737   4.0712   9.3737   4.0712 0.000000 0.000000 
1 1 1    0    2   13 o   80.044   1.2764  877.961   27.962  877.961   27.962  877.961   27.962   80.044   1.2764   80.044   1.2764 0.000000 0.000000 
1 1 1    0    2   14 o  111.952   1.5817  1717.25   48.467  1717.25   48.467  1717.25   48.467  111.952   1.5817  111.952   1.5817 0.000000 0.000000 
1 1 1    0    2   15 o   54.483   1.2937  407.157   19.276  407.157   19.276  407.157   19.276   54.483   1.2937   54.483   1.2937 0.000000 0.000000 
1 1 1    0    2   16 o   64.640   1.4841  573.122   26.238  573.122   26.238  573.122   26.238   64.640   1.4841   64.640   1.4841 0.000000 0.000000 
1 1 1    0    2   17 o  109.911   1.5755  1655.78   47.395  1655.78   47.395  1655.78   47.395  109.911   1.5755  109.911   1.5755 0.000000 0.000000 
1 1 1    0    2   18 o   48.657   1.3046  325.000   17.355  325.000   17.355  325.000   17.355   48.657   1.3046   48.657   1.3046 0.000000 0.000000 
1 1 1    0    2   19 o   71.620   1.2802  703.344   25.090  703.344   25.090  703.344   25.090   71.620   1.2802   71.620   1.2802 0.000000 0.000000 
1 1 1    0    2   20 o   73.761   1.3015  746.095   26.269  746.095   26.269  746.095   26.269   73.761   1.3015   73.761   1.3015 0.000000 0.000000 
1 1 1    0    2   21 o   13.085   4.9364   31.890   16.564   31.890   16.564   31.890   16.564   13.085   4.9364   13.085   4.9364 0.000000 0.000000 
1 1 1    0    2   22 o   12.871   4.8338   30.843   15.919   30.843   15.919   30.843   15.919   12.871   4.8338   12.871   4.8338 0.000000 0.000000 
1 1 1    0    2   23 o   33.630   2.3786  157.758   21.654  157.758   21.654  157.758   21.654   33.630   2.3786   33.630   2.3786 0.000000 0.000000 
1 1 1    0    2   24 o   7.8552   4.8933   5.7822   21.340   5.7822   21.340   5.7822   21.340   7.8552   4.8933   7.8552   4.8933 0.000000 0.000000 
1 1 1    0    2   25 o   18.633   4.3709   55.402   19.380   55.402   19.380   55.402   19.380   18.633   4.3709   18.633   4.3709 0.000000 0.000000 
1 1 1    0    2   26 o   52.763   1.6642  383.871   23.991  383.871   23.991  383.871   23.991   52.763   1.6642   52.763   1.6642 0.000000 0.000000 
1 1 1    0    2   27 o   45.309   2.0627  285.626   25.471  285.626   25.471  285.626   25.471   45.309   2.0627   45.309   2.0627 0.000000 0.000000 
1 1 1    0    2   28 o   11.117   5.2313   27.037   17.926   27.037   17.926   27.037   17.926   11.117   5.2313   11.117   5.2313 0.000000 0.000000 
1 1 1    0    2   29 o   7.6572   4.7155   9.7798   19.263   9.7798   19.263   9.7798   19.263   7.6572   4.7155   7.6572   4.7155 0.000000 0.000000 
1 1 1    0    3    1 o   82.856   0.9930  940.391   22.523  940.391   22.523  940.391   22.523   82.856   0.9930   82.856   0.9930 0.000000 0.000000 
1 1 1    0    3    2 o   41.155   0.7984  232.173   8.9899  232.173   8.9899  232.173   8.9899   41.155   0.7984   41.155   0.7984 0.000000 0.000000 
1 1 1    0    3    3 o  619.276   7.8697 52639.55  1334.05 52639.55  1334.05 52639.55  1334.05  619.276   7.8697  619.276   7.8697 0.000000 0.000000 
1 1 1    0    3    4 o  471.408   5.9928 30479.98  773.315 30479.98  773.315 30479.98  773.315  471.408   5.9928  471.408   5.9928 0.000000 0.000000 
1 1 1    0    3    5 o  122.141   1.6072  2043.88   53.736  2043.88   53.736  2043.88   53.736  122.141   1.6072  122.141   1.6072 0.000000 0.000000 
1 1 1    0    3    6 o  303.456   3.8709 12624.31  321.542 12624.31  321.542 12624.31  321.542  303.456   3.8709  303.456   3.8709 0.000000 0.000000 
1 1 1    0    3    7 o  180.555   2.6962  4468.65  133.238  4468.65  133.238  4468.65  133.238  180.555   2.6962  180.555   2.6962 0.000000 0.000000 
1 1 1    0    3    8 f  144.089   1.8912  2844.72   74.592  2844.72   74.592  2844.72   74.592  144.089   1.8912  144.089   1.8912 0.000000 0.000000 
1 1 1    0    3    9 o  454.485   5.7849 28339.07  719.692 28339.07  719.692 28339.07  719.692  454.485   5.7849  454.485   5.7849 0.000000 0.000000 
1 1 1    0    3   10 o  337.318   4.9710 15602.37  458.941 15602.37  458.941 15602.37  458.941  337.318   4.9710  337.318   4.9710 0.000000 0.000000 
1 1 1    0    3   11 o  262.541   3.3656  9445.48  241.872  9445.48  241.872  9445.48  241.872  262.541   3.3656  262.541   3.3656 0.000000 0.000000 
1 1 1    0    3   12 o  117.512   1.6145  1891.95   51.931  1891.95   51.931  1891.95   51.931  117.512   1.6145  117.512   1.6145 0.000000 0.000000 
1 1 1    0    3   13 o  259.360   3.8485  9221.73  273.191  9221.73  273.191  9221.73  273.191  259.360   3.8485  259.360   3.8485 0.000000 0.000000 
1 1 1    0    3   14 o  266.377   3.4224  9725.81  249.552  9725.81  249.552  9725.81  249.552  266.377   3.4224  266.377   3.4224 0.000000 0.000000 
1 1 1    0    3   15 o  132.833   2.0989  2418.40   76.302  2418.40   76.302  2418.40   76.302  132.833   2.0989  132.833   2.0989 0.000000 0.000000 
1 1 1    0    3   16 o  145.168   2.2570  2889.20   89.672  2889.20   89.672  2889.20   89.672  145.168   2.2570  145.168   2.2570 0.000000 0.000000 
1 1 1    0    3   17 o   22.976   2.2236   74.359   13.689   74.359   13.689   74.359   13.689   22.976   2.2236   22.976   2.2236 0.000000 0.000000 
1 1 1    0    3   18 o   36.457   1.7539  183.400   17.418  183.400   17.418  183.400   17.418   36.457   1.7539   36.457   1.7539 0.000000 0.000000 
1 1 1    0    3   19 o   16.477   3.3067   41.463   13.231   41.463   13.231   41.463   13.231   16.477   3.3067   16.477   3.3067 0.000000 0.000000 
1 1 1    0    3   20 o   21.012   3.0269   64.291   16.367   64.291   16.367   64.291   16.367   21.012   3.0269   21.012   3.0269 0.000000 0.000000 
1 1 1    0    3   21 o  121.723   1.7283  2032.72   57.581  2032.72   57.581  2032.72   57.581  121.723   1.7283  121.723   1.7283 0.000000 0.000000 
1 1 1    0    3   22 o   80.808   1.6260  896.539   35.947  896.539   35.947  896.539   35.947   80.808   1.6260   80.808   1.6260 0.000000 0.000000 
1 1 1    0    3   23 f   46.705   2.4012  302.242   30.525  302.242   30.525  302.242   30.525   46.705   2.4012   46.705   2.4012 0.000000 0.000000 
1 1 1    0    3   24 o   11.065   5.5787   25.287   20.902   25.287   20.902   25.287   20.902   11.065   5.5787   11.065   5.5787 0.000000 0.000000 
1 1 1    0    3   25 o   6.4580   4.2408  -2.6575   18.875  -2.6575   18.875  -2.6575   18.875   6.4580   4.2408   6.4580   4.2408 0.000000 0.000000 
1 1 1    0    3   26 o   6.0507   4.0606  -6.6351   18.935  -6.6351   18.935  -6.6351   18.935   6.0507   4.0606   6.0507   4.0606 0.000000 0.000000 
1 1 1    0    3   27 o   28.295   2.5546  114.020   19.422  114.020   19.422  114.020   19.422   28.295   2.5546   28.295   2.5546 0.000000 0.000000 
1 1 1    0    3   28 o   8.3760   4.9668   13.345   19.767   13.345   19.767   13.345   19.767   8.3760   4.9668   8.3760   4.9668 0.000000 0.000000 
1 1 1    0    3   29 o   38.293   1.7917  205.729   18.693  205.729   18.693  205.729   18.693   38.293   1.7917   38.293   1.7917 0.000000 0.000000 
1 1 1    0    4    0 o  699.609   17.879 67493.25  3420.22 67493.25  3420.22 67493.25  3420.22  699.609   17.879  699.609   17.879 0.000000 0.000000 
1 1 1    0    4    1 o  446.460   6.5712 27347.75  802.987 27347.75  802.987 27347.75  802.987  446.460   6.5712  446.460   6.5712 0.000000 0.000000 
1 1 1    0    4    2 o  136.603   2.5112  2558.08   93.864  2558.08   93.864  2558.08   93.864  136.603   2.5112  136.603   2.5112 0.000000 0.000000 
1 1 1    0    4    3 o  175.840   2.2608  4236.34  108.821  4236.34  108.821  4236.34  108.821  175.840   2.2608  175.840   2.2608 0.000000 0.000000 
1 1 1    0    4    4 o   43.042   0.7842  253.911   9.2358  253.911   9.2358  253.911   9.2358   43.042   0.7842   43.042   0.7842 0.000000 0.000000 
1 1 1    0    4    5 o   92.202   1.4465  1164.96   36.500  1164.96   36.500  1164.96   36.500   92.202   1.4465   92.202   1.4465 0.000000 0.000000 
1 1 1    0    4    6 o  273.604   3.4947 10262.53  261.732 10262.53  261.732 10262.53  261.732  273.604   3.4947  273.604   3.4947 0.000000 0.000000 
1 1 1    0    4    7 o  280.070   4.1370 10758.65  317.121 10758.65  317.121 10758.65  317.121  280.070   4.1370  280.070   4.1370 0.000000 0.000000 
1 1 1    0    4    8 o   65.093   1.1876  580.759   21.153  580.759   21.153  580.759   21.153   65.093   1.1876   65.093   1.1876 0.000000 0.000000 
1 1 1    0    4    9 o  206.103   2.6566  5820.57  149.880  5820.57  149.880  5820.57  149.880  206.103   2.6566  206.103   2.6566 0.000000 0.000000 
1 1 1    0    4   10 o  291.390   3.7254 11636.29  297.149 11636.29  297.149 11636.29  297.149  291.390   3.7254  291.390   3.7254 0.000000 0.000000 
1 1 1    0    4   11 o   40.958   1.1651  230.251   13.043  230.251   13.043  230.251   13.043   40.958   1.1651   40.958   1.1651 0.000000 0.000000 
1 1 1    0    4   12 o   67.474   1.1820  623.948   21.825  623.948   21.825  623.948   21.825   67.474   1.1820   67.474   1.1820 0.000000 0.000000 
1 1 1    0    4   13 o   42.394   1.5229  247.047   17.628  247.047   17.628  247.047   17.628   42.394   1.5229   42.394   1.5229 0.000000 0.000000 
1 1 1    0    4   14 f   11.074   4.9668   24.304   16.072   24.304   16.072   24.304   16.072   11.074   4.9668   11.074   4.9668 0.000000 0.000000 
1 1 1    0    4   15 o   12.185   5.0048   28.491   16.503   28.491   16.503   28.491   16.503   12.185   5.0048   12.185   5.0048 0.000000 0.000000 
1 1 1    0    4   16 o   74.955   1.4813  770.382   30.377  770.382   30.377  770.382   30.377   74.955   1.4813   74.955   1.4813 0.000000 0.000000 
1 1 1    0    4   17 o   71.705   1.2785  704.919   25.085  704.919   25.085  704.919   25.085   71.705   1.2785   71.705   1.2785 0.000000 0.000000 
1 1 1    0    4   18 o   37.095   1.7546  189.837   17.732  189.837   17.732  189.837   17.732   37.095   1.7546   37.095   1.7546 0.000000 0.000000 
1 1 1    0    4   19 o  156.227   2.0920  3348.42   89.461  3348.42   89.461  3348.42   89.461  156.227   2.0920  156.227   2.0920 0.000000 0.000000 
1 1 1    0    4   20 o   29.952   2.6602  126.049   21.423  126.049   21.423  126.049   21.423   29.952   2.6602   29.952   2.6602 0.000000 0.000000 
1 1 1    0    4   21 o   78.465   1.3675  844.516   29.362  844.516   29.362  844.516   29.362   78.465   1.3675   78.465   1.3675 0.000000 0.000000 
1 1 1    0    4   22 o  179.056   2.7627  4413.25  135.388  4413.25  135.388  4413.25  135.388  179.056   2.7627  179.056   2.7627 0.000000 0.000000 
1 1 1    0    4   23 o   8.1927   4.7553   11.504   17.474   11.504   17.474   11.504   17.474   8.1927   4.7553   8.1927   4.7553 0.000000 0.000000 
1 1 1    0    4   24 o   14.506   5.0701   38.246   18.229   38.246   18.229   38.246   18.229   14.506   5.0701   14.506   5.0701 0.000000 0.000000 
1 1 1    0    4   25 o   34.285   2.1998  163.807   20.458  163.807   20.458  163.807   20.458   34.285   2.1998   34.285   2.1998 0.000000 0.000000 
1 1 1    0    4   26 o   21.748   4.1957   73.114   22.306   73.114   22.306   73.114   22.306   21.748   4.1957   21.748   4.1957 0.000000 0.000000 
1 1 1    0    4   27 o   13.767   5.1604   36.630   18.160   36.630   18.160   36.630   18.160   13.767   5.1604   13.767   5.1604 0.000000 0.000000 
1 1 1    0    4   28 o   28.343   2.7697  116.638   21.026  116.638   21.026  116.638   21.026   28.343   2.7697   28.343   2.7697 0.000000 0.000000 
1 1 1    0    4   29 o   5.7667   3.8353  -2.0891   16.238  -2.0891   16.238  -2.0891   16.238   5.7667   3.8353   5.7667   3.8353 0.000000 0.000000 
1 1 1    0    5    1 o   52.456   0.9211  377.112   13.222  377.112   13.222  377.112   13.222   52.456   0.9211   52.456   0.9211 0.000000 0.000000 
1 1 1    0    5    2 o   76.483   1.2272  801.585   25.687  801.585   25.687  801.585   25.687   76.483   1.2272   76.483   1.2272 0.000000 0.000000 
1 1 1    0    5    3 o  269.800   3.4471  9977.11  254.579  9977.11  254.579  9977.11  254.579  269.800   3.4471  269.800   3.4471 0.000000 0.000000 
1 1 1    0    5    4 o   74.967   1.5268  770.539   31.313  770.539   31.313  770.539   31.313   74.967   1.5268   74.967   1.5268 0.000000 0.000000 
1 1 1    0    5    5 o   27.358   1.0099  102.900   7.5426  102.900   7.5426  102.900   7.5426   27.358   1.0099   27.358   1.0099 0.000000 0.000000 
1 1 1    0    5    6 o   82.224   1.1627  926.317   26.168  926.317   26.168  926.317   26.168   82.224   1.1627   82.224   1.1627 0.000000 0.000000 
1 1 1    0    5    7 f   25.734   1.1184   91.193   7.8477   91.193   7.8477   91.193   7.8477   25.734   1.1184   25.734   1.1184 0.000000 0.000000 
1 1 1    0    5    8 o  255.796   3.7827  8969.96  264.833  8969.96  264.833  8969.96  264.833  255.796   3.7827  255.796   3.7827 0.000000 0.000000 
1 1 1    0    5    9 o  132.956   1.7689  2421.85   64.375  2421.85   64.375  2421.85   64.375  132.956   1.7689  132.956   1.7689 0.000000 0.000000 
1 1 1    0    5   10 o  226.497   3.3681  7031.19  208.795  7031.19  208.795  7031.19  208.795  226.497   3.3681  226.497   3.3681 0.000000 0.000000 
1 1 1    0    5   11 o  129.135   2.0137  2285.20   71.169  2285.20   71.169  2285.20   71.169  129.135   2.0137  129.135   2.0137 0.000000 0.000000 
1 1 1    0    5   12 o   46.657   1.2109  298.666   15.447  298.666   15.447  298.666   15.447   46.657   1.2109   46.657   1.2109 0.000000 0.000000 
1 1 1    0    5   13 o  227.262   2.9345  7077.93  182.554  7077.93  182.554  7077.93  182.554  227.262   2.9345  227.262   2.9345 0.000000 0.000000 
1 1 1    0    5   14 o   79.095   1.3125  857.363   28.410  857.363   28.410  857.363   28.410   79.095   1.3125   79.095   1.3125 0.000000 0.000000 
1 1 1    0    5   15 o  175.818   2.6754  4238.50  128.741  4238.50  128.741  4238.50  128.741  175.818   2.6754  175.818   2.6754 0.000000 0.000000 
1 1 1    0    5   16 o  130.989   2.0713  2352.75   74.254  2352.75   74.254  2352.75   74.254  130.989   2.0713  130.989   2.0713 0.000000 0.000000 
1 1 1    0    5   17 o   23.985   2.0975   80.644   13.534   80.644   13.534   80.644   13.534   23.985   2.0975   23.985   2.0975 0.000000 0.000000 
1 1 1    0    5   19 f   70.789   1.2785  687.166   24.764  687.166   24.764  687.166   24.764   70.789   1.2785   70.789   1.2785 0.000000 0.000000 
1 1 1    0    5   20 o   76.911   1.3468  811.272   28.346  811.272   28.346  811.272   28.346   76.911   1.3468   76.911   1.3468 0.000000 0.000000 
1 1 1    0    5   21 o   30.886   1.9079  132.351   15.995  132.351   15.995  132.351   15.995   30.886   1.9079   30.886   1.9079 0.000000 0.000000 
1 1 1    0    5   22 o   54.242   2.0411  405.621   30.219  405.621   30.219  405.621   30.219   54.242   2.0411   54.242   2.0411 0.000000 0.000000 
1 1 1    0    5   23 o   21.571   3.3403   68.609   18.322   68.609   18.322   68.609   18.322   21.571   3.3403   21.571   3.3403 0.000000 0.000000 
1 1 1    0    5   24 o   66.398   1.4955  605.828   27.161  605.828   27.161  605.828   27.161   66.398   1.4955   66.398   1.4955 0.000000 0.000000 
1 1 1    0    5   25 o   22.020   4.1026   74.047   22.219   74.047   22.219   74.047   22.219   22.020   4.1026   22.020   4.1026 0.000000 0.000000 
1 1 1    0    5   26 o   10.881   5.6638   25.244   21.976   25.244   21.976   25.244   21.976   10.881   5.6638   10.881   5.6638 0.000000 0.000000 
1 1 1    0    5   27 o   10.895   5.2358   25.706   18.053   25.706   18.053   25.706   18.053   10.895   5.2358   10.895   5.2358 0.000000 0.000000 
1 1 1    0    5   28 o   21.220   4.0168   71.710   20.904   71.710   20.904   71.710   20.904   21.220   4.0168   21.220   4.0168 0.000000 0.000000 
1 1 1    0    5   29 o   4.2942   3.0678 -21.8918   16.316 -21.8918   16.316 -21.8918   16.316   4.2942   3.0678   4.2942   3.0678 0.000000 0.000000 
1 1 1    0    6    0 o  397.068   7.1540 21638.73  777.293 21638.73  777.293 21638.73  777.293  397.068   7.1540  397.068   7.1540 0.000000 0.000000 
1 1 1    0    6    1 o  155.869   2.0121  3328.86   85.848  3328.86   85.848  3328.86   85.848  155.869   2.0121  155.869   2.0121 0.000000 0.000000 
1 1 1    0    6    2 o  251.929   2.8772  8697.79  198.434  8697.79  198.434  8697.79  198.434  251.929   2.8772  251.929   2.8772 0.000000 0.000000 
1 1 1    0    6    3 o  123.608   2.3035  2094.84   77.908  2094.84   77.908  2094.84   77.908  123.608   2.3035  123.608   2.3035 0.000000 0.000000 
1 1 1    0    6    4 o  321.140   4.7326 14150.72  415.983 14150.72  415.983 14150.72  415.983  321.140   4.7326  321.140   4.7326 0.000000 0.000000 
1 1 1    0    6    5 o  141.585   1.8479  2746.67   71.618  2746.67   71.618  2746.67   71.618  141.585   1.8479  141.585   1.8479 0.000000 0.000000 
1 1 1    0    6    6 o  219.895   3.2606  6628.58  196.238  6628.58  196.238  6628.58  196.238  219.895   3.2606  219.895   3.2606 0.000000 0.000000 
1 1 1    0    6    7 o  158.255   2.0613  3431.42   89.293  3431.42   89.293  3431.42   89.293  158.255   2.0613  158.255   2.0613 0.000000 0.000000 
1 1 1    0    6    8 o   77.527   1.3483  823.736   28.605  823.736   28.605  823.736   28.605   77.527   1.3483   77.527   1.3483 0.000000 0.000000 
1 1 1    0    6    9 o  206.176   2.6609  5824.37  150.175  5824.37  150.175  5824.37  150.175  206.176   2.6609  206.176   2.6609 0.000000 0.000000 
1 1 1    0    6   10 o   60.286   1.0974  498.121   18.103  498.121   18.103  498.121   18.103   60.286   1.0974   60.286   1.0974 0.000000 0.000000 
1 1 1    0    6   11 o  421.399   6.2040 24364.63  715.560 24364.63  715.560 24364.63  715.560  421.399   6.2040  421.399   6.2040 0.000000 0.000000 
1 1 1    0    6   12 o  129.284   2.4817  2291.61   87.785  2291.61   87.785  2291.61   87.785  129.284   2.4817  129.284   2.4817 0.000000 0.000000 
1 1 1    0    6   13 o   33.844   1.6093  157.908   14.837  157.908   14.837  157.908   14.837   33.844   1.6093   33.844   1.6093 0.000000 0.000000 
1 1 1    0    6   14 o   82.632   1.3262  935.738   29.992  935.738   29.992  935.738   29.992   82.632   1.3262   82.632   1.3262 0.000000 0.000000 
1 1 1    0    6   15 o   22.054   2.6473   69.481   15.378   69.481   15.378   69.481   15.378   22.054   2.6473   22.054   2.6473 0.000000 0.000000 
1 1 1    0    6   16 o   71.164   1.2528  694.273   24.396  694.273   24.396  694.273   24.396   71.164   1.2528   71.164   1.2528 0.000000 0.000000 
1 1 1    0    6   17 o   15.855   3.4588   39.036   13.155   39.036   13.155   39.036   13.155   15.855   3.4588   15.855   3.4588 0.000000 0.000000 
1 1 1    0    6   18 o   54.217   1.4802  403.655   21.938  403.655   21.938  403.655   21.938   54.217   1.4802   54.217   1.4802 0.000000 0.000000 
1 1 1    0    6   19 o   10.425   4.8472   21.895   15.357   21.895   15.357   21.895   15.357   10.425   4.8472   10.425   4.8472 0.000000 0.000000 
1 1 1    0    6   20 o   76.568   1.3470  804.118   28.222  804.118   28.222  804.118   28.222   76.568   1.3470   76.568   1.3470 0.000000 0.000000 
1 1 1    0    6   21 o  110.738   1.6258  1682.63   49.276  1682.63   49.276  1682.63   49.276  110.738   1.6258  110.738   1.6258 0.000000 0.000000 
1 1 1    0    6   22 o   38.110   2.0926  201.239   21.688  201.239   21.688  201.239   21.688   38.110   2.0926   38.110   2.0926 0.000000 0.000000 
1 1 1    0    6   23 o   12.603   5.1995   30.970   17.790   30.970   17.790   30.970   17.790   12.603   5.1995   12.603   5.1995 0.000000 0.000000 
1 1 1    0    6   24 o   56.037   1.5809  432.060   24.216  432.060   24.216  432.060   24.216   56.037   1.5809   56.037   1.5809 0.000000 0.000000 
1 1 1    0    6   25 o   9.6091   5.4082   17.950   21.628   17.950   21.628   17.950   21.628   9.6091   5.4082   9.6091   5.4082 0.000000 0.000000 
1 1 1    0    6   26 o   52.138   1.6363  375.470   23.309  375.470   23.309  375.470   23.309   52.138   1.6363   52.138   1.6363 0.000000 0.000000 
1 1 1    0    6   27 o   5.8944   3.9514  -4.9403   17.843  -4.9403   17.843  -4.9403   17.843   5.8944   3.9514   5.8944   3.9514 0.000000 0.000000 
1 1 1    0    6   28 o   20.013   4.0378   64.775   19.607   64.775   19.607   64.775   19.607   20.013   4.0378   20.013   4.0378 0.000000 0.000000 
1 1 1    0    6   29 o   7.4475   4.4688   10.785   16.365   10.785   16.365   10.785   16.365   7.4475   4.4688   7.4475   4.4688 0.000000 0.000000 
1 1 1    0    7    1 o   40.006   0.8995  219.473   9.8428  219.473   9.8428  219.473   9.8428   40.006   0.8995   40.006   0.8995 0.000000 0.000000 
1 1 1    0    7    2 o   54.785   1.2712  411.651   19.047  411.651   19.047  411.651   19.047   54.785   1.2712   54.785   1.2712 0.000000 0.000000 
1 1 1    0    7    3 o  112.430   1.4880  1731.84   45.794  1731.84   45.794  1731.84   45.794  112.430   1.4880  112.430   1.4880 0.000000 0.000000 
1 1 1    0    7    4 o  209.695   2.6966  6025.96  154.785  6025.96  154.785  6025.96  154.785  209.695   2.6966  209.695   2.6966 0.000000 0.000000 
1 1 1    0    7    5 o  161.783   2.0981  3586.16   92.916  3586.16   92.916  3586.16   92.916  161.783   2.0981  161.783   2.0981 0.000000 0.000000 
1 1 1    0    7    6 o  180.902   2.3367  4483.89  115.710  4483.89  115.710  4483.89  115.710  180.902   2.3367  180.902   2.3367 0.000000 0.000000 
1 1 1    0    7    7 o   96.105   1.5322  1265.66   40.299  1265.66   40.299  1265.66   40.299   96.105   1.5322   96.105   1.5322 0.000000 0.000000 
1 1 1    0    7    8 o   20.055   2.9081   58.447   14.993   58.447   14.993   58.447   14.993   20.055   2.9081   20.055   2.9081 0.000000 0.000000 
1 1 1    0    7    9 o   40.682   1.0879  227.099   12.100  227.099   12.100  227.099   12.100   40.682   1.0879   40.682   1.0879 0.000000 0.000000 
1 1 1    0    7   10 o  327.730   4.1866 14722.82  375.584 14722.82  375.584 14722.82  375.584  327.730   4.1866  327.730   4.1866 0.000000 0.000000 
1 1 1    0    7   11 o   38.880   1.5181  207.934   16.107  207.934   16.107  207.934   16.107   38.880   1.5181   38.880   1.5181 0.000000 0.000000 
1 1 1    0    7   12 o  150.014   2.2981  3084.21   94.353  3084.21   94.353  3084.21   94.353  150.014   2.2981  150.014   2.2981 0.000000 0.000000 
1 1 1    0    7   13 o  196.856   2.5620  5311.06  138.054  5311.06  138.054  5311.06  138.054  196.856   2.5620  196.856   2.5620 0.000000 0.000000 
1 1 1    0    7   14 o  160.836   2.1299  3545.49   93.769  3545.49   93.769  3545.49   93.769  160.836   2.1299  160.836   2.1299 0.000000 0.000000 
1 1 1    0    7   15 o   70.751   1.4163  686.434   27.415  686.434   27.415  686.434   27.415   70.751   1.4163   70.751   1.4163 0.000000 0.000000 
1 1 1    0    7   16 o  154.779   2.3879  3287.34  101.154  3287.34  101.154  3287.34  101.154  154.779   2.3879  154.779   2.3879 0.000000 0.000000 
1 1 1    0    7   17 o  111.093   1.5797  1692.12   48.034  1692.12   48.034  1692.12   48.034  111.093   1.5797  111.093   1.5797 0.000000 0.000000 
1 1 1    0    7   18 o   5.3419   3.5002  -1.9127   12.755  -1.9127   12.755  -1.9127   12.755   5.3419   3.5002   5.3419   3.5002 0.000000 0.000000 
1 1 1    0    7   19 o   46.529   1.5759  297.738   20.027  297.738   20.027  297.738   20.027   46.529   1.5759   46.529   1.5759 0.000000 0.000000 
1 1 1    0    7   20 o   49.515   1.3893  336.805   18.804  336.805   18.804  336.805   18.804   49.515   1.3893   49.515   1.3893 0.000000 0.000000 
1 1 1    0    7   21 o   37.734   1.7079  196.496   17.566  196.496   17.566  196.496   17.566   37.734   1.7079   37.734   1.7079 0.000000 0.000000 
1 1 1    0    7   22 o   93.028   1.5156  1187.90   38.587  1187.90   38.587  1187.90   38.587   93.028   1.5156   93.028   1.5156 0.000000 0.000000 
1 1 1    0    7   23 o   47.206   1.6721  307.010   21.553  307.010   21.553  307.010   21.553   47.206   1.6721   47.206   1.6721 0.000000 0.000000 
1 1 1    0    7   24 o   6.8512   4.3976   1.1164   18.761   1.1164   18.761   1.1164   18.761   6.8512   4.3976   6.8512   4.3976 0.000000 0.000000 
1 1 1    0    7   25 o   10.791   5.9899   23.777   26.089   23.777   26.089   23.777   26.089   10.791   5.9899   10.791   5.9899 0.000000 0.000000 
1 1 1    0    7   26 o   6.7478   4.3224   2.2025   18.011   2.2025   18.011   2.2025   18.011   6.7478   4.3224   6.7478   4.3224 0.000000 0.000000 
1 1 1    0    7   27 o   9.7447   5.0335   21.210   17.255   21.210   17.255   21.210   17.255   9.7447   5.0335   9.7447   5.0335 0.000000 0.000000 
1 1 1    0    7   28 o   4.9558   3.4202  -9.7085   15.563  -9.7085   15.563  -9.7085   15.563   4.9558   3.4202   4.9558   3.4202 0.000000 0.000000 
1 1 1    0    8    0 o  538.874   9.6991 39889.86  1430.17 39889.86  1430.17 39889.86  1430.17  538.874   9.6991  538.874   9.6991 0.000000 0.000000 
1 1 1    0    8    1 o   61.190   0.9284  513.024   15.549  513.024   15.549  513.024   15.549   61.190   0.9284   61.190   0.9284 0.000000 0.000000 
1 1 1    0    8    2 o  151.701   1.9712  3153.07   81.856  3153.07   81.856  3153.07   81.856  151.701   1.9712  151.701   1.9712 0.000000 0.000000 
1 1 1    0    8    3 o  189.836   2.8259  4939.10  146.828  4939.10  146.828  4939.10  146.828  189.836   2.8259  189.836   2.8259 0.000000 0.000000 
1 1 1    0    8    5 o  306.145   3.4965 12842.85  293.038 12842.85  293.038 12842.85  293.038  306.145   3.4965  306.145   3.4965 0.000000 0.000000 
1 1 1    0    8    6 o  179.698   2.0835  4423.65  102.494  4423.65  102.494  4423.65  102.494  179.698   2.0835  179.698   2.0835 0.000000 0.000000 
1 1 1    0    8    7 o  114.666   2.1881  1802.48   68.650  1802.48   68.650  1802.48   68.650  114.666   2.1881  114.666   2.1881 0.000000 0.000000 
1 1 1    0    8    8 o  152.818   2.3190  3200.30   96.992  3200.30   96.992  3200.30   96.992  152.818   2.3190  152.818   2.3190 0.000000 0.000000 
1 1 1    0    8    9 o  122.197   1.6507  2045.80   55.214  2045.80   55.214  2045.80   55.214  122.197   1.6507  122.197   1.6507 0.000000 0.000000 
1 1 1    0    8   10 o   30.125   1.4680  125.151   12.044  125.151   12.044  125.151   12.044   30.125   1.4680   30.125   1.4680 0.000000 0.000000 
1 1 1    0    8   11 o  272.206   4.0364 10160.26  300.721 10160.26  300.721 10160.26  300.721  272.206   4.0364  272.206   4.0364 0.000000 0.000000 
1 1 1    0    8   12 o  130.752   1.7725  2342.54   63.437  2342.54   63.437  2342.54   63.437  130.752   1.7725  130.752   1.7725 0.000000 0.000000 
1 1 1    0    8   13 o   57.831   1.2185  458.591   19.278  458.591   19.278  458.591   19.278   57.831   1.2185   57.831   1.2185 0.000000 0.000000 
1 1 1    0    8   14 o   41.639   1.3383  238.193   15.224  238.193   15.224  238.193   15.224   41.639   1.3383   41.639   1.3383 0.000000 0.000000 
1 1 1    0    8   15 o   43.436   1.2905  259.107   15.319  259.107   15.319  259.107   15.319   43.436   1.2905   43.436   1.2905 0.000000 0.000000 
1 1 1    0    8   16 o  101.279   1.7187  1406.85   47.634  1406.85   47.634  1406.85   47.634  101.279   1.7187  101.279   1.7187 0.000000 0.000000 
1 1 1    0    8   17 o   11.096   4.3876   23.324   12.832   23.324   12.832   23.324   12.832   11.096   4.3876   11.096   4.3876 0.000000 0.000000 
1 1 1    0    8   18 o   49.113   1.2990  331.161   17.442  331.161   17.442  331.161   17.442   49.113   1.2990   49.113   1.2990 0.000000 0.000000 
1 1 1    0    8   19 o   45.137   1.6691  280.449   20.566  280.449   20.566  280.449   20.566   45.137   1.6691   45.137   1.6691 0.000000 0.000000 
1 1 1    0    8   20 o   35.900   1.6961  177.928   16.589  177.928   16.589  177.928   16.589   35.900   1.6961   35.900   1.6961 0.000000 0.000000 
1 1 1    0    8   21 o  173.141   2.6786  4127.40  126.929  4127.40  126.929  4127.40  126.929  173.141   2.6786  173.141   2.6786 0.000000 0.000000 
1 1 1    0    8   22 o   81.072   1.4578  902.325   32.340  902.325   32.340  902.325   32.340   81.072   1.4578   81.072   1.4578 0.000000 0.000000 
1 1 1    0    8   23 o   45.458   1.9702  285.587   24.420  285.587   24.420  285.587   24.420   45.458   1.9702   45.458   1.9702 0.000000 0.000000 
1 1 1    0    8   24 f   64.875   1.5010  578.894   26.633  578.894   26.633  578.894   26.633   64.875   1.5010   64.875   1.5010 0.000000 0.000000 
1 1 1    0    8   25 o   15.565   5.4535   45.064   21.058   45.064   21.058   45.064   21.058   15.565   5.4535   15.565   5.4535 0.000000 0.000000 
1 1 1    0    8   26 o   17.685   4.2176   51.261   17.723   51.261   17.723   51.261   17.723   17.685   4.2176   17.685   4.2176 0.000000 0.000000 
1 1 1    0    8   27 o   36.784   2.1326  191.092   21.315  191.092   21.315  191.092   21.315   36.784   2.1326   36.784   2.1326 0.000000 0.000000 
1 1 1    0    8   28 o   9.0947   4.7686   19.157   15.664   19.157   15.664   19.157   15.664   9.0947   4.7686   9.0947   4.7686 0.000000 0.000000 
1 1 1    0    9    1 o  417.925   6.1406 23959.71  702.409 23959.71  702.409 23959.71  702.409  417.925   6.1406  417.925   6.1406 0.000000 0.000000 
1 1 1    0    9    2 o  428.517   4.8741 25171.01  571.775 25171.01  571.775 25171.01  571.775  428.517   4.8741  428.517   4.8741 0.000000 0.000000 
1 1 1    0    9    4 o  325.817   3.7120 14546.70  331.085 14546.70  331.085 14546.70  331.085  325.817   3.7120  325.817   3.7120 0.000000 0.000000 
1 1 1    0    9    5 o  352.565   4.0241 17034.59  388.396 17034.59  388.396 17034.59  388.396  352.565   4.0241  352.565   4.0241 0.000000 0.000000 
1 1 1    0    9    6 o  155.621   2.0286  3318.02   86.413  3318.02   86.413  3318.02   86.413  155.621   2.0286  155.621   2.0286 0.000000 0.000000 
1 1 1    0    9    7 o  326.378   4.1670 14601.28  372.285 14601.28  372.285 14601.28  372.285  326.378   4.1670  326.378   4.1670 0.000000 0.000000 
1 1 1    0    9    8 o   96.306   1.9210  1271.58   50.616  1271.58   50.616  1271.58   50.616   96.306   1.9210   96.306   1.9210 0.000000 0.000000 
1 1 1    0    9    9 o  589.398   8.6705 47748.42  1398.73 47748.42  1398.73 47748.42  1398.73  589.398   8.6705  589.398   8.6705 0.000000 0.000000 
1 1 1    0    9   10 o  168.378   2.2097  3884.77  101.844  3884.77  101.844  3884.77  101.844  168.378   2.2097  168.378   2.2097 0.000000 0.000000 
1 1 1    0    9   11 o   40.781   1.4357  228.587   15.988  228.587   15.988  228.587   15.988   40.781   1.4357   40.781   1.4357 0.000000 0.000000 
1 1 1    0    9   12 o   41.500   1.2721  236.514   14.426  236.514   14.426  236.514   14.426   41.500   1.2721   41.500   1.2721 0.000000 0.000000 
1 1 1    0    9   13 o   5.5782   3.5444   1.2199   11.813   1.2199   11.813   1.2199   11.813   5.5782   3.5444   5.5782   3.5444 0.000000 0.000000 
1 1 1    0    9   14 o   52.282   1.3310  375.122   19.027  375.122   19.027  375.122   19.027   52.282   1.3310   52.282   1.3310 0.000000 0.000000 
1 1 1    0    9   15 o   46.076   1.2552  291.449   15.811  291.449   15.811  291.449   15.811   46.076   1.2552   46.076   1.2552 0.000000 0.000000 
1 1 1    0    9   16 o   25.341   2.2503   90.123   15.332   90.123   15.332   90.123   15.332   25.341   2.2503   25.341   2.2503 0.000000 0.000000 
1 1 1    0    9   17 o   37.452   1.4527  193.059   14.848  193.059   14.848  193.059   14.848   37.452   1.4527   37.452   1.4527 0.000000 0.000000 
1 1 1    0    9   18 o   64.571   1.4592  572.269   25.772  572.269   25.772  572.269   25.772   64.571   1.4592   64.571   1.4592 0.000000 0.000000 
1 1 1    0    9   19 o   31.685   2.1500  139.671   18.457  139.671   18.457  139.671   18.457   31.685   2.1500   31.685   2.1500 0.000000 0.000000 
1 1 1    0    9   20 o   8.8206   4.7143   15.491   15.547   15.491   15.547   15.491   15.547   8.8206   4.7143   8.8206   4.7143 0.000000 0.000000 
1 1 1    0    9   21 o   39.025   1.9472  210.670   20.691  210.670   20.691  210.670   20.691   39.025   1.9472   39.025   1.9472 0.000000 0.000000 
1 1 1    0    9   22 o   28.091   2.3680  110.848   17.918  110.848   17.918  110.848   17.918   28.091   2.3680   28.091   2.3680 0.000000 0.000000 
1 1 1    0    9   23 o   89.884   1.7760  1111.39   43.675  1111.39   43.675  1111.39   43.675   89.884   1.7760   89.884   1.7760 0.000000 0.000000 
1 1 1    0    9   24 o   33.874   2.0873  159.979   19.193  159.979   19.193  159.979   19.193   33.874   2.0873   33.874   2.0873 0.000000 0.000000 
1 1 1    0    9   25 o   26.684   2.5894  101.766   18.512  101.766   18.512  101.766   18.512   26.684   2.5894   26.684   2.5894 0.000000 0.000000 
1 1 1    0    9   26 o   4.8289   3.3815 -15.5604   16.763 -15.5604   16.763 -15.5604   16.763   4.8289   3.3815   4.8289   3.3815 0.000000 0.000000 
1 1 1    0    9   27 o   6.9700   4.3798   6.1747   17.487   6.1747   17.487   6.1747   17.487   6.9700   4.3798   6.9700   4.3798 0.000000 0.000000 
1 1 1    0    9   28 o   10.158   4.8390   23.587   15.386   23.587   15.386   23.587   15.386   10.158   4.8390   10.158   4.8390 0.000000 0.000000 
1 1 1    0   10    0 o  489.535   8.8394 32884.75  1184.06 32884.75  1184.06 32884.75  1184.06  489.535   8.8394  489.535   8.8394 0.000000 0.000000 
1 1 1    0   10    1 o  183.628   2.3654  4619.91  118.898  4619.91  118.898  4619.91  118.898  183.628   2.3654  183.628   2.3654 0.000000 0.000000 
1 1 1    0   10    2 o  110.259   1.4828  1665.54   44.753  1665.54   44.753  1665.54   44.753  110.259   1.4828  110.259   1.4828 0.000000 0.000000 
1 1 1    0   10    3 o  311.513   3.5539 13297.41  303.071 13297.41  303.071 13297.41  303.071  311.513   3.5539  311.513   3.5539 0.000000 0.000000 
1 1 1    0   10    4 o   52.343   1.4967  376.069   21.412  376.069   21.412  376.069   21.412   52.343   1.4967   52.343   1.4967 0.000000 0.000000 
1 1 1    0   10    5 o   74.532   0.9979  761.018   20.357  761.018   20.357  761.018   20.357   74.532   0.9979   74.532   0.9979 0.000000 0.000000 
1 1 1    0   10    6 o  336.870   4.9695 15562.58  458.198 15562.58  458.198 15562.58  458.198  336.870   4.9695  336.870   4.9695 0.000000 0.000000 
1 1 1    0   10    7 o  131.423   2.0343  2366.95   73.173  2366.95   73.173  2366.95   73.173  131.423   2.0343  131.423   2.0343 0.000000 0.000000 
1 1 1    0   10    8 o   76.050   1.6761  793.141   34.868  793.141   34.868  793.141   34.868   76.050   1.6761   76.050   1.6761 0.000000 0.000000 
1 1 1    0   10    9 o  107.493   1.7158  1583.51   50.476  1583.51   50.476  1583.51   50.476  107.493   1.7158  107.493   1.7158 0.000000 0.000000 
1 1 1    0   10   10 o  125.292   1.7003  2150.99   58.311  2150.99   58.311  2150.99   58.311  125.292   1.7003  125.292   1.7003 0.000000 0.000000 
1 1 1    0   10   11 o  160.287   2.1145  3521.22   92.774  3521.22   92.774  3521.22   92.774  160.287   2.1145  160.287   2.1145 0.000000 0.000000 
1 1 1    0   10   12 o   34.537   1.3623  164.120   12.838  164.120   12.838  164.120   12.838   34.537   1.3623   34.537   1.3623 0.000000 0.000000 
1 1 1    0   10   13 o   38.048   1.2638  198.932   13.134  198.932   13.134  198.932   13.134   38.048   1.2638   38.048   1.2638 0.000000 0.000000 
1 1 1    0   10   14 o   21.336   2.2714   64.509   12.893   64.509   12.893   64.509   12.893   21.336   2.2714   21.336   2.2714 0.000000 0.000000 
1 1 1    0   10   15 o   89.374   1.3682  1095.06   33.467  1095.06   33.467  1095.06   33.467   89.374   1.3682   89.374   1.3682 0.000000 0.000000 
1 1 1    0   10   16 o  101.820   1.7219  1422.18   47.979  1422.18   47.979  1422.18   47.979  101.820   1.7219  101.820   1.7219 0.000000 0.000000 
1 1 1    0   10   17 o   17.936   2.9852   47.684   13.441   47.684   13.441   47.684   13.441   17.936   2.9852   17.936   2.9852 0.000000 0.000000 
1 1 1    0   10   18 o   23.740   2.5945   80.135   16.354   80.135   16.354   80.135   16.354   23.740   2.5945   23.740   2.5945 0.000000 0.000000 
1 1 1    0   10   19 o   30.120   2.3676  126.903   19.250  126.903   19.250  126.903   19.250   30.120   2.3676   30.120   2.3676 0.000000 0.000000 
1 1 1    0   10   20 o   49.275   1.5154  333.919   20.404  333.919   20.404  333.919   20.404   49.275   1.5154   49.275   1.5154 0.000000 0.000000 
1 1 1    0   10   21 o   25.013   2.6365   88.959   17.600   88.959   17.600   88.959   17.600   25.013   2.6365   25.013   2.6365 0.000000 0.000000 
1 1 1    0   10   22 o   12.692   5.2065   31.440   17.867   31.440   17.867   31.440   17.867   12.692   5.2065   12.692   5.2065 0.000000 0.000000 
1 1 1    0   10   23 o   10.009   5.4454   20.341   21.089   20.341   21.089   20.341   21.089   10.009   5.4454   10.009   5.4454 0.000000 0.000000 
1 1 1    0   10   24 o   28.777   2.7712  118.188   21.372  118.188   21.372  118.188   21.372   28.777   2.7712   28.777   2.7712 0.000000 0.000000 
1 1 1    0   10   25 o   7.0698   4.3971   5.9567   17.163   5.9567   17.163   5.9567   17.163   7.0698   4.3971   7.0698   4.3971 0.000000 0.000000 
1 1 1    0   10   26 o   27.039   2.3602  104.908   17.169  104.908   17.169  104.908   17.169   27.039   2.3602   27.039   2.3602 0.000000 0.000000 
1 1 1    0   10   27 o   16.387   3.9980   45.401   15.543   45.401   15.543   45.401   15.543   16.387   3.9980   16.387   3.9980 0.000000 0.000000 
1 1 1    0   11    1 o  248.596   3.1787  8468.85  216.309  8468.85  216.309  8468.85  216.309  248.596   3.1787  248.596   3.1787 0.000000 0.000000 
1 1 1    0   11    2 o  203.605   2.6207  5680.23  146.062  5680.23  146.062  5680.23  146.062  203.605   2.6207  203.605   2.6207 0.000000 0.000000 
1 1 1    0   11    3 o  240.084   3.0763  7898.85  202.175  7898.85  202.175  7898.85  202.175  240.084   3.0763  240.084   3.0763 0.000000 0.000000 
1 1 1    0   11    4 o  248.221   3.1775  8443.66  215.902  8443.66  215.902  8443.66  215.902  248.221   3.1775  248.221   3.1775 0.000000 0.000000 
1 1 1    0   11    5 o   64.610   1.0967  572.084   19.391  572.084   19.391  572.084   19.391   64.610   1.0967   64.610   1.0967 0.000000 0.000000 
1 1 1    0   11    6 o   72.245   1.7804  716.023   35.173  716.023   35.173  716.023   35.173   72.245   1.7804   72.245   1.7804 0.000000 0.000000 
1 1 1    0   11    7 o  249.785   2.8680  8549.79  196.112  8549.79  196.112  8549.79  196.112  249.785   2.8680  249.785   2.8680 0.000000 0.000000 
1 1 1    0   11    8 o  254.707   2.9279  8891.24  204.154  8891.24  204.154  8891.24  204.154  254.707   2.9279  254.707   2.9279 0.000000 0.000000 
1 1 1    0   11    9 o   83.398   1.1713  952.974   26.738  952.974   26.738  952.974   26.738   83.398   1.1713   83.398   1.1713 0.000000 0.000000 
1 1 1    0   11   10 o  252.084   3.7402  8721.53  258.056  8721.53  258.056  8721.53  258.056  252.084   3.7402  252.084   3.7402 0.000000 0.000000 
1 1 1    0   11   11 o   5.1313   3.3381  -0.9944   11.300  -0.9944   11.300  -0.9944   11.300   5.1313   3.3381   5.1313   3.3381 0.000000 0.000000 
1 1 1    0   11   12 o  131.275   2.5141  2365.62   90.300  2365.62   90.300  2365.62   90.300  131.275   2.5141  131.275   2.5141 0.000000 0.000000 
1 1 1    0   11   13 o   18.515   2.3909   49.303   11.565   49.303   11.565   49.303   11.565   18.515   2.3909   18.515   2.3909 0.000000 0.000000 
1 1 1    0   11   14 o   64.262   1.1753  566.230   20.667  566.230   20.667  566.230   20.667   64.262   1.1753   64.262   1.1753 0.000000 0.000000 
1 1 1    0   11   15 o   38.238   1.3387  201.055   13.978  201.055   13.978  201.055   13.978   38.238   1.3387   38.238   1.3387 0.000000 0.000000 
1 1 1    0   11   16 o   66.128   1.2399  599.743   22.435  599.743   22.435  599.743   22.435   66.128   1.2399   66.128   1.2399 0.000000 0.000000 
1 1 1    0   11   17 o  129.289   1.7878  2293.53   63.268  2293.53   63.268  2293.53   63.268  129.289   1.7878  129.289   1.7878 0.000000 0.000000 
1 1 1    0   11   18 o   76.003   1.3414  792.454   27.898  792.454   27.898  792.454   27.898   76.003   1.3414   76.003   1.3414 0.000000 0.000000 
1 1 1    0   11   19 o   16.448   4.1644   43.777   16.219   43.777   16.219   43.777   16.219   16.448   4.1644   16.448   4.1644 0.000000 0.000000 
1 1 1    0   11   20 o   6.6515   4.2698   0.8083   17.690   0.8083   17.690   0.8083   17.690   6.6515   4.2698   6.6515   4.2698 0.000000 0.000000 
1 1 1    0   11   21 o   9.0085   4.9950   15.718   18.120   15.718   18.120   15.718   18.120   9.0085   4.9950   9.0085   4.9950 0.000000 0.000000 
1 1 1    0   11   22 o   9.1981   5.0051   16.948   17.820   16.948   17.820   16.948   17.820   9.1981   5.0051   9.1981   5.0051 0.000000 0.000000 
1 1 1    0   11   23 o   28.103   2.4217  111.596   18.318  111.596   18.318  111.596   18.318   28.103   2.4217   28.103   2.4217 0.000000 0.000000 
1 1 1    0   11   24 o   8.5701   5.0186   13.582   19.736   13.582   19.736   13.582   19.736   8.5701   5.0186   8.5701   5.0186 0.000000 0.000000 
1 1 1    0   11   25 o   41.925   1.6910  244.596   19.342  244.596   19.342  244.596   19.342   41.925   1.6910   41.925   1.6910 0.000000 0.000000 
1 1 1    0   11   26 o   16.261   5.6005   52.173   22.444   52.173   22.444   52.173   22.444   16.261   5.6005   16.261   5.6005 0.000000 0.000000 
1 1 1    0   11   27 o   20.393   3.0494   63.697   15.907   63.697   15.907   63.697   15.907   20.393   3.0494   20.393   3.0494 0.000000 0.000000 
1 1 1    0   12    0 o  176.268   3.2277  4259.40  155.677  4259.40  155.677  4259.40  155.677  176.268   3.2277  176.268   3.2277 0.000000 0.000000 
1 1 1    0   12    1 o   26.231   1.4834   95.120   10.578   95.120   10.578   95.120   10.578   26.231   1.4834   26.231   1.4834 0.000000 0.000000 
1 1 1    0   12    2 o  342.216   3.9037 16053.00  365.716 16053.00  365.716 16053.00  365.716  342.216   3.9037  342.216   3.9037 0.000000 0.000000 
1 1 1    0   12    3 o  108.253   1.3241  1605.37   39.238  1605.37   39.238  1605.37   39.238  108.253   1.3241  108.253   1.3241 0.000000 0.000000 
1 1 1    0   12    4 o   35.185   1.2496  170.161   12.006  170.161   12.006  170.161   12.006   35.185   1.2496   35.185   1.2496 0.000000 0.000000 
1 1 1    0   12    5 o   57.808   1.1786  458.153   18.640  458.153   18.640  458.153   18.640   57.808   1.1786   57.808   1.1786 0.000000 0.000000 
1 1 1    0   12    6 o   26.317   1.4948   95.759   10.693   95.759   10.693   95.759   10.693   26.317   1.4948   26.317   1.4948 0.000000 0.000000 
1 1 1    0   12    7 o   71.782   1.3596  706.364   26.704  706.364   26.704  706.364   26.704   71.782   1.3596   71.782   1.3596 0.000000 0.000000 
1 1 1    0   12    8 o   81.800   1.4590  917.240   32.659  917.240   32.659  917.240   32.659   81.800   1.4590   81.800   1.4590 0.000000 0.000000 
1 1 1    0   12    9 o   60.417   1.3154  500.624   21.739  500.624   21.739  500.624   21.739   60.417   1.3154   60.417   1.3154 0.000000 0.000000 
1 1 1    0   12   10 o   66.377   1.4593  604.376   26.496  604.376   26.496  604.376   26.496   66.377   1.4593   66.377   1.4593 0.000000 0.000000 
1 1 1    0   12   11 o   31.960   1.2773  140.585   11.138  140.585   11.138  140.585   11.138   31.960   1.2773   31.960   1.2773 0.000000 0.000000 
1 1 1    0   12   12 o   45.512   1.3303  284.474   16.547  284.474   16.547  284.474   16.547   45.512   1.3303   45.512   1.3303 0.000000 0.000000 
1 1 1    0   12   13 o   29.899   1.5180  123.432   12.356  123.432   12.356  123.432   12.356   29.899   1.5180   29.899   1.5180 0.000000 0.000000 
1 1 1    0   12   14 o   38.921   1.2583  208.179   13.380  208.179   13.380  208.179   13.380   38.921   1.2583   38.921   1.2583 0.000000 0.000000 
1 1 1    0   12   15 o   67.526   1.2223  625.302   22.586  625.302   22.586  625.302   22.586   67.526   1.2223   67.526   1.2223 0.000000 0.000000 
1 1 1    0   12   16 o   36.183   1.4650  180.320   14.462  180.320   14.462  180.320   14.462   36.183   1.4650   36.183   1.4650 0.000000 0.000000 
1 1 1    0   12   17 o   6.8952   4.4706  -0.8537   20.042  -0.8537   20.042  -0.8537   20.042   6.8952   4.4706   6.8952   4.4706 0.000000 0.000000 
1 1 1    0   12   18 o   15.194   4.5914   39.499   16.663   39.499   16.663   39.499   16.663   15.194   4.5914   15.194   4.5914 0.000000 0.000000 
1 1 1    0   12   19 o   10.059   4.8452   20.698   15.469   20.698   15.469   20.698   15.469   10.059   4.8452   10.059   4.8452 0.000000 0.000000 
1 1 1    0   12   20 o   54.683   1.5841  411.370   23.676  411.370   23.676  411.370   23.676   54.683   1.5841   54.683   1.5841 0.000000 0.000000 
1 1 1    0   12   21 o   25.975   2.5121   95.573   17.484   95.573   17.484   95.573   17.484   25.975   2.5121   25.975   2.5121 0.000000 0.000000 
1 1 1    0   12   22 o   18.833   3.6991   54.642   16.977   54.642   16.977   54.642   16.977   18.833   3.6991   18.833   3.6991 0.000000 0.000000 
1 1 1    0   12   23 o   24.432   2.6480   85.816   17.189   85.816   17.189   85.816   17.189   24.432   2.6480   24.432   2.6480 0.000000 0.000000 
1 1 1    0   12   24 o   6.0468   3.9581  -0.7142   16.251  -0.7142   16.251  -0.7142   16.251   6.0468   3.9581   6.0468   3.9581 0.000000 0.000000 
1 1 1    0   12   25 o   9.3416   4.8559   19.780   16.136   19.780   16.136   19.780   16.136   9.3416   4.8559   9.3416   4.8559 0.000000 0.000000 
1 1 1    0   12   26 o   26.189   3.3630  104.514   23.026  104.514   23.026  104.514   23.026   26.189   3.3630   26.189   3.3630 0.000000 0.000000 
1 1 1    0   13    1 o  160.429   2.4181  3527.80  106.176  3527.80  106.176  3527.80  106.176  160.429   2.4181  160.429   2.4181 0.000000 0.000000 
1 1 1    0   13    2 o  232.256   2.6736  7392.73  169.987  7392.73  169.987  7392.73  169.987  232.256   2.6736  232.256   2.6736 0.000000 0.000000 
1 1 1    0   13    3 o   97.852   1.2343  1311.78   33.062  1311.78   33.062  1311.78   33.062   97.852   1.2343   97.852   1.2343 0.000000 0.000000 
1 1 1    0   13    4 o  218.339   2.5185  6533.60  150.533  6533.60  150.533  6533.60  150.533  218.339   2.5185  218.339   2.5185 0.000000 0.000000 
1 1 1    0   13    5 o  202.875   3.0187  5644.66  167.620  5644.66  167.620  5644.66  167.620  202.875   3.0187  202.875   3.0187 0.000000 0.000000 
1 1 1    0   13    6 o  151.796   1.9967  3158.15   82.963  3158.15   82.963  3158.15   82.963  151.796   1.9967  151.796   1.9967 0.000000 0.000000 
1 1 1    0   13    7 o   82.204   1.0981  925.907   24.709  925.907   24.709  925.907   24.709   82.204   1.0981   82.204   1.0981 0.000000 0.000000 
1 1 1    0   13    8 o   48.773   0.9564  326.140   12.762  326.140   12.762  326.140   12.762   48.773   0.9564   48.773   0.9564 0.000000 0.000000 
1 1 1    0   13    9 o   60.362   1.2951  499.764   21.385  499.764   21.385  499.764   21.385   60.362   1.2951   60.362   1.2951 0.000000 0.000000 
1 1 1    0   13   10 o   15.060   2.1751   32.977   8.4265   32.977   8.4265   32.977   8.4265   15.060   2.1751   15.060   2.1751 0.000000 0.000000 
1 1 1    0   13   11 o   32.925   1.1785  149.060   10.594  149.060   10.594  149.060   10.594   32.925   1.1785   32.925   1.1785 0.000000 0.000000 
1 1 1    0   13   12 o   38.444   1.3569  203.240   14.245  203.240   14.245  203.240   14.245   38.444   1.3569   38.444   1.3569 0.000000 0.000000 
1 1 1    0   13   13 o   79.775   1.2495  872.503   27.281  872.503   27.281  872.503   27.281   79.775   1.2495   79.775   1.2495 0.000000 0.000000 
1 1 1    0   13   14 o   78.314   1.2654  840.959   27.121  840.959   27.121  840.959   27.121   78.314   1.2654   78.314   1.2654 0.000000 0.000000 
1 1 1    0   13   15 o   55.628   1.2011  424.584   18.277  424.584   18.277  424.584   18.277   55.628   1.2011   55.628   1.2011 0.000000 0.000000 
1 1 1    0   13   16 o   8.1323   4.2626   13.272   12.513   13.272   12.513   13.272   12.513   8.1323   4.2626   8.1323   4.2626 0.000000 0.000000 
1 1 1    0   13   17 o   12.413   5.1526   30.024   17.440   30.024   17.440   30.024   17.440   12.413   5.1526   12.413   5.1526 0.000000 0.000000 
1 1 1    0   13   18 o   51.692   1.3710  367.152   19.375  367.152   19.375  367.152   19.375   51.692   1.3710   51.692   1.3710 0.000000 0.000000 
1 1 1    0   13   19 o   75.523   1.3855  783.048   28.631  783.048   28.631  783.048   28.631   75.523   1.3855   75.523   1.3855 0.000000 0.000000 
1 1 1    0   13   20 o   42.034   1.8718  244.269   21.448  244.269   21.448  244.269   21.448   42.034   1.8718   42.034   1.8718 0.000000 0.000000 
1 1 1    0   13   21 o   5.7061   3.7959  -4.2326   15.925  -4.2326   15.925  -4.2326   15.925   5.7061   3.7959   5.7061   3.7959 0.000000 0.000000 
1 1 1    0   13   22 o   36.272   1.8307  182.765   18.078  182.765   18.078  182.765   18.078   36.272   1.8307   36.272   1.8307 0.000000 0.000000 
1 1 1    0   13   23 o   26.926   2.7216  104.507   19.597  104.507   19.597  104.507   19.597   26.926   2.7216   26.926   2.7216 0.000000 0.000000 
1 1 1    0   13   24 o   39.824   2.5809  226.431   27.875  226.431   27.875  226.431   27.875   39.824   2.5809   39.824   2.5809 0.000000 0.000000 
1 1 1    0   13   25 o   25.590   2.8111   96.814   19.093   96.814   19.093   96.814   19.093   25.590   2.8111   25.590   2.8111 0.000000 0.000000 
1 1 1    0   14    1 o  132.873   1.7731  2419.66   64.487  2419.66   64.487  2419.66   64.487  132.873   1.7731  132.873   1.7731 0.000000 0.000000 
1 1 1    0   14    2 o  115.820   1.8084  1838.86   57.322  1838.86   57.322  1838.86   57.322  115.820   1.8084  115.820   1.8084 0.000000 0.000000 
1 1 1    0   14    3 o  108.132   1.7148  1602.86   50.748  1602.86   50.748  1602.86   50.748  108.132   1.7148  108.132   1.7148 0.000000 0.000000 
1 1 1    0   14    4 o   75.597   1.2903  783.388   26.692  783.388   26.692  783.388   26.692   75.597   1.2903   75.597   1.2903 0.000000 0.000000 
1 1 1    0   14    5 o   61.975   1.0472  526.454   17.761  526.454   17.761  526.454   17.761   61.975   1.0472   61.975   1.0472 0.000000 0.000000 
1 1 1    0   14    6 o   36.268   1.2170  180.765   12.056  180.765   12.056  180.765   12.056   36.268   1.2170   36.268   1.2170 0.000000 0.000000 
1 1 1    0   14    7 o   75.598   1.2166  783.401   25.170  783.401   25.170  783.401   25.170   75.598   1.2166   75.598   1.2166 0.000000 0.000000 
1 1 1    0   14    8 o   65.321   1.0070  584.793   18.003  584.793   18.003  584.793   18.003   65.321   1.0070   65.321   1.0070 0.000000 0.000000 
1 1 1    0   14    9 o   60.743   1.5394  506.523   25.569  506.523   25.569  506.523   25.569   60.743   1.5394   60.743   1.5394 0.000000 0.000000 
1 1 1    0   14   10 o   31.502   1.1070  136.430   9.5230  136.430   9.5230  136.430   9.5230   31.502   1.1070   31.502   1.1070 0.000000 0.000000 
1 1 1    0   14   11 o   41.818   1.0587  239.984   12.106  239.984   12.106  239.984   12.106   41.818   1.0587   41.818   1.0587 0.000000 0.000000 
1 1 1    0   14   12 o   44.393   1.1931  270.562   14.479  270.562   14.479  270.562   14.479   44.393   1.1931   44.393   1.1931 0.000000 0.000000 
1 1 1    0   14   13 o   48.872   1.1313  327.741   15.121  327.741   15.121  327.741   15.121   48.872   1.1313   48.872   1.1313 0.000000 0.000000 
1 1 1    0   14   14 o   74.627   1.4802  764.290   30.222  764.290   30.222  764.290   30.222   74.627   1.4802   74.627   1.4802 0.000000 0.000000 
1 1 1    0   14   15 o   55.073   1.2137  416.249   18.283  416.249   18.283  416.249   18.283   55.073   1.2137   55.073   1.2137 0.000000 0.000000 
1 1 1    0   14   16 o  100.378   1.7130  1383.49   47.055  1383.49   47.055  1383.49   47.055  100.378   1.7130  100.378   1.7130 0.000000 0.000000 
1 1 1    0   14   17 o   35.778   2.0294  177.503   19.736  177.503   19.736  177.503   19.736   35.778   2.0294   35.778   2.0294 0.000000 0.000000 
1 1 1    0   14   18 o   4.9559   3.3861  -8.8180   14.404  -8.8180   14.404  -8.8180   14.404   4.9559   3.3861   4.9559   3.3861 0.000000 0.000000 
1 1 1    0   14   19 o   49.640   1.5753  339.302   21.365  339.302   21.365  339.302   21.365   49.640   1.5753   49.640   1.5753 0.000000 0.000000 
1 1 1    0   14   20 o   32.751   2.2075  149.852   19.591  149.852   19.591  149.852   19.591   32.751   2.2075   32.751   2.2075 0.000000 0.000000 
1 1 1    0   14   21 o   38.361   1.6747  203.765   17.515  203.765   17.515  203.765   17.515   38.361   1.6747   38.361   1.6747 0.000000 0.000000 
1 1 1    0   14   22 f   32.430   1.9277  147.086   16.981  147.086   16.981  147.086   16.981   32.430   1.9277   32.430   1.9277 0.000000 0.000000 
1 1 1    0   14   23 o   16.220   4.1166   44.259   15.810   44.259   15.810   44.259   15.810   16.220   4.1166   16.220   4.1166 0.000000 0.000000 
1 1 1    0   14   24 o   23.665   3.0170   83.943   18.684   83.943   18.684   83.943   18.684   23.665   3.0170   23.665   3.0170 0.000000 0.000000 
1 1 1    0   14   25 o   37.447   1.9419  198.279   19.790  198.279   19.790  198.279   19.790   37.447   1.9419   37.447   1.9419 0.000000 0.000000 
1 1 1    0   15    1 o  108.111   1.5081  1602.13   44.628  1602.13   44.628  1602.13   44.628  108.111   1.5081  108.111   1.5081 0.000000 0.000000 
1 1 1    0   15    2 o   12.892   1.9953   24.353   6.5417   24.353   6.5417   24.353   6.5417   12.892   1.9953   12.892   1.9953 0.000000 0.000000 
1 1 1    0   15    3 o  126.197   1.5295  2182.83   52.837  2182.83   52.837  2182.83   52.837  126.197   1.5295  126.197   1.5295 0.000000 0.000000 
1 1 1    0   15    4 o   69.297   1.2173  658.372   23.083  658.372   23.083  658.372   23.083   69.297   1.2173   69.297   1.2173 0.000000 0.000000 
1 1 1    0   15    5 o   33.494   1.0379  154.092   9.4987  154.092   9.4987  154.092   9.4987   33.494   1.0379   33.494   1.0379 0.000000 0.000000 
1 1 1    0   15    6 o  106.128   1.4651  1544.01   42.559  1544.01   42.559  1544.01   42.559  106.128   1.4651  106.128   1.4651 0.000000 0.000000 
1 1 1    0   15    7 o   20.143   1.7001   56.779   9.2238   56.779   9.2238   56.779   9.2238   20.143   1.7001   20.143   1.7001 0.000000 0.000000 
1 1 1    0   15    8 o  117.727   1.6320  1900.37   52.589  1900.37   52.589  1900.37   52.589  117.727   1.6320  117.727   1.6320 0.000000 0.000000 
1 1 1    0   15    9 o   41.444   1.3330  236.043   15.092  236.043   15.092  236.043   15.092   41.444   1.3330   41.444   1.3330 0.000000 0.000000 
1 1 1    0   15   10 o   4.0940   2.6819  -1.1280   7.4826  -1.1280   7.4826  -1.1280   7.4826   4.0940   2.6819   4.0940   2.6819 0.000000 0.000000 
1 1 1    0   15   11 o   30.915   1.2324  131.563   10.395  131.563   10.395  131.563   10.395   30.915   1.2324   30.915   1.2324 0.000000 0.000000 
1 1 1    0   15   12 o   31.041   1.2948  132.722   10.963  132.722   10.963  132.722   10.963   31.041   1.2948   31.041   1.2948 0.000000 0.000000 
1 1 1    0   15   13 o   41.953   1.1931  241.758   13.681  241.758   13.681  241.758   13.681   41.953   1.1931   41.953   1.1931 0.000000 0.000000 
1 1 1    0   15   14 o   45.248   1.2205  281.194   15.098  281.194   15.098  281.194   15.098   45.248   1.2205   45.248   1.2205 0.000000 0.000000 
1 1 1    0   15   15 o   55.376   1.2214  420.917   18.501  420.917   18.501  420.917   18.501   55.376   1.2214   55.376   1.2214 0.000000 0.000000 
1 1 1    0   15   16 o   28.054   2.0831  109.896   15.800  109.896   15.800  109.896   15.800   28.054   2.0831   28.054   2.0831 0.000000 0.000000 
1 1 1    0   15   17 o   18.949   2.9082   52.845   14.034   52.845   14.034   52.845   14.034   18.949   2.9082   18.949   2.9082 0.000000 0.000000 
1 1 1    0   15   18 o   29.552   1.9550  121.637   15.662  121.637   15.662  121.637   15.662   29.552   1.9550   29.552   1.9550 0.000000 0.000000 
1 1 1    0   15   19 o   11.426   4.7378   25.690   14.750   25.690   14.750   25.690   14.750   11.426   4.7378   11.426   4.7378 0.000000 0.000000 
1 1 1    0   15   20 o   5.1042   3.5257 -12.2689   16.626 -12.2689   16.626 -12.2689   16.626   5.1042   3.5257   5.1042   3.5257 0.000000 0.000000 
1 1 1    0   15   21 o   7.6390   4.3474   11.367   14.184   11.367   14.184   11.367   14.184   7.6390   4.3474   7.6390   4.3474 0.000000 0.000000 
1 1 1    0   15   22 o   5.8845   3.9017  -2.4347   16.600  -2.4347   16.600  -2.4347   16.600   5.8845   3.9017   5.8845   3.9017 0.000000 0.000000 
1 1 1    0   15   23 o   10.019   5.0735   23.171   17.331   23.171   17.331   23.171   17.331   10.019   5.0735   10.019   5.0735 0.000000 0.000000 
1 1 1    0   15   24 f   24.278   2.4417   86.114   15.856   86.114   15.856   86.114   15.856   24.278   2.4417   24.278   2.4417 0.000000 0.000000 
1 1 1    0   16    0 o  368.778   9.5620 18918.47  964.146 18918.47  964.146 18918.47  964.146  368.778   9.5620  368.778   9.5620 0.000000 0.000000 
1 1 1    0   16    1 o   62.767   1.9485  541.596   33.417  541.596   33.417  541.596   33.417   62.767   1.9485   62.767   1.9485 0.000000 0.000000 
1 1 1    0   16    2 o  139.822   1.6643  2680.19   63.701  2680.19   63.701  2680.19   63.701  139.822   1.6643  139.822   1.6643 0.000000 0.000000 
1 1 1    0   16    3 o   76.355   1.2926  799.358   27.009  799.358   27.009  799.358   27.009   76.355   1.2926   76.355   1.2926 0.000000 0.000000 
1 1 1    0   16    4 f  104.249   1.3149  1489.56   37.525  1489.56   37.525  1489.56   37.525  104.249   1.3149  104.249   1.3149 0.000000 0.000000 
1 1 1    0   16    5 o   28.566   1.1186  112.288   8.7199  112.288   8.7199  112.288   8.7199   28.566   1.1186   28.566   1.1186 0.000000 0.000000 
1 1 1    0   16    6 o   37.376   1.0514  191.803   10.742  191.803   10.742  191.803   10.742   37.376   1.0514   37.376   1.0514 0.000000 0.000000 
1 1 1    0   16    7 o  108.222   1.5030  1605.88   44.523  1605.88   44.523  1605.88   44.523  108.222   1.5030  108.222   1.5030 0.000000 0.000000 
1 1 1    0   16    8 o   24.230   1.8964   81.961   12.405   81.961   12.405   81.961   12.405   24.230   1.8964   24.230   1.8964 0.000000 0.000000 
1 1 1    0   16    9 o   78.843   1.4539  852.762   31.365  852.762   31.365  852.762   31.365   78.843   1.4539   78.843   1.4539 0.000000 0.000000 
1 1 1    0   16   10 o   79.617   1.4773  869.711   32.182  869.711   32.182  869.711   32.182   79.617   1.4773   79.617   1.4773 0.000000 0.000000 
1 1 1    0   16   11 o  100.491   1.8425  1386.58   50.663  1386.58   50.663  1386.58   50.663  100.491   1.8425  100.491   1.8425 0.000000 0.000000 
1 1 1    0   16   12 o   12.303   3.3638   24.960   9.7980   24.960   9.7980   24.960   9.7980   12.303   3.3638   12.303   3.3638 0.000000 0.000000 
1 1 1    0   16   13 o   34.885   1.5438  167.862   14.681  167.862   14.681  167.862   14.681   34.885   1.5438   34.885   1.5438 0.000000 0.000000 
1 1 1    0   16   14 o   76.346   1.2886  799.754   26.923  799.754   26.923  799.754   26.923   76.346   1.2886   76.346   1.2886 0.000000 0.000000 
1 1 1    0   16   15 o   77.669   1.2991  827.819   27.612  827.819   27.612  827.819   27.612   77.669   1.2991   77.669   1.2991 0.000000 0.000000 
1 1 1    0   16   16 o   68.703   1.2913  647.988   24.274  647.988   24.274  647.988   24.274   68.703   1.2913   68.703   1.2913 0.000000 0.000000 
1 1 1    0   16   17 o   4.5662   3.1458  -9.5263   13.033  -9.5263   13.033  -9.5263   13.033   4.5662   3.1458   4.5662   3.1458 0.000000 0.000000 
1 1 1    0   16   18 o   76.832   1.9045  814.239   40.015  814.239   40.015  814.239   40.015   76.832   1.9045   76.832   1.9045 0.000000 0.000000 
1 1 1    0   16   19 o   18.977   2.9155   53.436   14.087   53.436   14.087   53.436   14.087   18.977   2.9155   18.977   2.9155 0.000000 0.000000 
1 1 1    0   16   20 o   11.193   5.1672   26.673   17.438   26.673   17.438   26.673   17.438   11.193   5.1672   11.193   5.1672 0.000000 0.000000 
1 1 1    0   16   21 o   9.5681   4.6139   19.945   14.031   19.945   14.031   19.945   14.031   9.5681   4.6139   9.5681   4.6139 0.000000 0.000000 
1 1 1    0   16   22 o   8.5908   4.7469   16.505   16.301   16.505   16.301   16.505   16.301   8.5908   4.7469   8.5908   4.7469 0.000000 0.000000 
1 1 1    0   16   23 o   7.7265   4.5535   12.367   16.434   12.367   16.434   12.367   16.434   7.7265   4.5535   7.7265   4.5535 0.000000 0.000000 
1 1 1    0   17    1 o   86.873   1.3258  1034.71   31.522  1034.71   31.522  1034.71   31.522   86.873   1.3258   86.873   1.3258 0.000000 0.000000 
1 1 1    0   17    2 o  119.443   1.4808  1955.87   48.418  1955.87   48.418  1955.87   48.418  119.443   1.4808  119.443   1.4808 0.000000 0.000000 
1 1 1    0   17    3 o   60.720   1.0895  505.519   18.103  505.519   18.103  505.519   18.103   60.720   1.0895   60.720   1.0895 0.000000 0.000000 
1 1 1    0   17    4 o   10.431   2.9551   18.103   7.3113   18.103   7.3113   18.103   7.3113   10.431   2.9551   10.431   2.9551 0.000000 0.000000 
1 1 1    0   17    5 o   77.340   1.1767  820.005   24.908  820.005   24.908  820.005   24.908   77.340   1.1767   77.340   1.1767 0.000000 0.000000 
1 1 1    0   17    6 o   63.754   1.0898  557.287   19.014  557.287   19.014  557.287   19.014   63.754   1.0898   63.754   1.0898 0.000000 0.000000 
1 1 1    0   17    7 f   44.978   1.1220  277.672   13.800  277.672   13.800  277.672   13.800   44.978   1.1220   44.978   1.1220 0.000000 0.000000 
1 1 1    0   17    8 o  165.416   2.5186  3761.24  114.026  3761.24  114.026  3761.24  114.026  165.416   2.5186  165.416   2.5186 0.000000 0.000000 
1 1 1    0   17    9 o   99.274   1.4848  1351.93   40.343  1351.93   40.343  1351.93   40.343   99.274   1.4848   99.274   1.4848 0.000000 0.000000 
1 1 1    0   17   10 o  103.431   2.0657  1470.27   58.454  1470.27   58.454  1470.27   58.454  103.431   2.0657  103.431   2.0657 0.000000 0.000000 
1 1 1    0   17   11 o   74.220   1.2952  755.751   26.305  755.751   26.305  755.751   26.305   74.220   1.2952   74.220   1.2952 0.000000 0.000000 
1 1 1    0   17   12 o   19.891   1.8764   55.741   10.012   55.741   10.012   55.741   10.012   19.891   1.8764   19.891   1.8764 0.000000 0.000000 
1 1 1    0   17   13 o   43.451   1.4474  259.791   17.178  259.791   17.178  259.791   17.178   43.451   1.4474   43.451   1.4474 0.000000 0.000000 
1 1 1    0   17   14 o   23.478   1.7349   76.902   11.014   76.902   11.014   76.902   11.014   23.478   1.7349   23.478   1.7349 0.000000 0.000000 
1 1 1    0   17   15 o   33.774   1.5846  157.620   14.581  157.620   14.581  157.620   14.581   33.774   1.5846   33.774   1.5846 0.000000 0.000000 
1 1 1    0   17   16 o   7.9294   4.1102   12.849   11.537   12.849   11.537   12.849   11.537   7.9294   4.1102   7.9294   4.1102 0.000000 0.000000 
1 1 1    0   17   17 o   7.5001   4.4764   8.8534   16.243   8.8534   16.243   8.8534   16.243   7.5001   4.4764   7.5001   4.4764 0.000000 0.000000 
1 1 1    0   17   18 o   8.2399   4.7625   12.665   17.414   12.665   17.414   12.665   17.414   8.2399   4.7625   8.2399   4.7625 0.000000 0.000000 
1 1 1    0   17   19 o   5.7236   3.5896   3.0675   11.682   3.0675   11.682   3.0675   11.682   5.7236   3.5896   5.7236   3.5896 0.000000 0.000000 
1 1 1    0   17   20 o   6.0614   3.8096   3.7562   13.238   3.7562   13.238   3.7562   13.238   6.0614   3.8096   6.0614   3.8096 0.000000 0.000000 
1 1 1    0   17   21 o   5.3629   3.6136  -4.5785   15.287  -4.5785   15.287  -4.5785   15.287   5.3629   3.6136   5.3629   3.6136 0.000000 0.000000 
1 1 1    0   17   22 o   6.5787   4.0308   7.0648   13.916   7.0648   13.916   7.0648   13.916   6.5787   4.0308   6.5787   4.0308 0.000000 0.000000 
1 1 1    0   18    0 o   22.664   3.2730   74.758   19.082   74.758   19.082   74.758   19.082   22.664   3.2730   22.664   3.2730 0.000000 0.000000 
1 1 1    0   18    1 o   9.2334   3.1949   15.260   7.2832   15.260   7.2832   15.260   7.2832   9.2334   3.1949   9.2334   3.1949 0.000000 0.000000 
1 1 1    0   18    2 o   55.736   1.3026  426.383   19.857  426.383   19.857  426.383   19.857   55.736   1.3026   55.736   1.3026 0.000000 0.000000 
1 1 1    0   18    3 o   19.710   1.5381   54.218   8.1854   54.218   8.1854   54.218   8.1854   19.710   1.5381   19.710   1.5381 0.000000 0.000000 
1 1 1    0   18    4 o   79.857   1.1537  874.302   25.217  874.302   25.217  874.302   25.217   79.857   1.1537   79.857   1.1537 0.000000 0.000000 
1 1 1    0   18    5 o   65.860   1.1136  594.789   20.071  594.789   20.071  594.789   20.071   65.860   1.1136   65.860   1.1136 0.000000 0.000000 
1 1 1    0   18    6 o   39.576   1.0752  215.064   11.633  215.064   11.633  215.064   11.633   39.576   1.0752   39.576   1.0752 0.000000 0.000000 
1 1 1    0   18    7 o   54.100   1.2593  401.768   18.634  401.768   18.634  401.768   18.634   54.100   1.2593   54.100   1.2593 0.000000 0.000000 
1 1 1    0   18    8 o  110.146   1.5541  1664.67   46.852  1664.67   46.852  1664.67   46.852  110.146   1.5541  110.146   1.5541 0.000000 0.000000 
1 1 1    0   18    9 o   13.679   3.5786   30.496   11.582   30.496   11.582   30.496   11.582   13.679   3.5786   13.679   3.5786 0.000000 0.000000 
1 1 1    0   18   10 o   46.100   1.4524  292.308   18.293  292.308   18.293  292.308   18.293   46.100   1.4524   46.100   1.4524 0.000000 0.000000 
1 1 1    0   18   11 o   16.819   1.9516   40.382   8.6724   40.382   8.6724   40.382   8.6724   16.819   1.9516   16.819   1.9516 0.000000 0.000000 
1 1 1    0   18   12 o   27.486   1.3699  104.376   10.252  104.376   10.252  104.376   10.252   27.486   1.3699   27.486   1.3699 0.000000 0.000000 
1 1 1    0   18   13 o   37.199   1.6730  191.135   16.963  191.135   16.963  191.135   16.963   37.199   1.6730   37.199   1.6730 0.000000 0.000000 
1 1 1    0   18   14 o   5.2267   3.2633   2.3326   9.5446   2.3326   9.5446   2.3326   9.5446   5.2267   3.2633   5.2267   3.2633 0.000000 0.000000 
1 1 1    0   18   15 o   8.5068   3.8590   14.633   9.7078   14.633   9.7078   14.633   9.7078   8.5068   3.8590   8.5068   3.8590 0.000000 0.000000 
1 1 1    0   18   16 o   46.284   1.2492  294.836   15.806  294.836   15.806  294.836   15.806   46.284   1.2492   46.284   1.2492 0.000000 0.000000 
1 1 1    0   18   17 o   15.725   3.9313   40.608   14.645   40.608   14.645   40.608   14.645   15.725   3.9313   15.725   3.9313 0.000000 0.000000 
1 1 1    0   18   18 o   6.1533   4.0117  -0.0480   16.447  -0.0480   16.447  -0.0480   16.447   6.1533   4.0117   6.1533   4.0117 0.000000 0.000000 
1 1 1    0   18   19 o   23.767   1.9186   80.150   12.300   80.150   12.300   80.150   12.300   23.767   1.9186   23.767   1.9186 0.000000 0.000000 
1 1 1    0   18   20 f   20.508   2.2558   61.232   12.277   61.232   12.277   61.232   12.277   20.508   2.2558   20.508   2.2558 0.000000 0.000000 
1 1 1    0   18   21 o   12.215   4.8667   31.207   15.745   31.207   15.745   31.207   15.745   12.215   4.8667   12.215   4.8667 0.000000 0.000000 
1 1 1    0   19    1 o   13.908   2.0588   28.230   7.3359   28.230   7.3359   28.230   7.3359   13.908   2.0588   13.908   2.0588 0.000000 0.000000 
1 1 1    0   19    2 o   19.751   1.7696   54.788   9.3942   54.788   9.3942   54.788   9.3942   19.751   1.7696   19.751   1.7696 0.000000 0.000000 
1 1 1    0   19    3 o   80.852   1.1916  896.435   26.370  896.435   26.370  896.435   26.370   80.852   1.1916   80.852   1.1916 0.000000 0.000000 
1 1 1    0   19    4 o   82.989   1.2812  944.673   29.100  944.673   29.100  944.673   29.100   82.989   1.2812   82.989   1.2812 0.000000 0.000000 
1 1 1    0   19    5 o   99.448   1.4184  1356.80   38.609  1356.80   38.609  1356.80   38.609   99.448   1.4184   99.448   1.4184 0.000000 0.000000 
1 1 1    0   19    6 o   55.328   1.1132  420.014   16.851  420.014   16.851  420.014   16.851   55.328   1.1132   55.328   1.1132 0.000000 0.000000 
1 1 1    0   19    7 o   38.565   1.2811  204.558   13.495  204.558   13.495  204.558   13.495   38.565   1.2811   38.565   1.2811 0.000000 0.000000 
1 1 1    0   19    8 o   58.743   1.1792  473.564   18.951  473.564   18.951  473.564   18.951   58.743   1.1792   58.743   1.1792 0.000000 0.000000 
1 1 1    0   19    9 o   35.383   1.3982  172.499   13.499  172.499   13.499  172.499   13.499   35.383   1.3982   35.383   1.3982 0.000000 0.000000 
1 1 1    0   19   10 o   30.126   1.8530  126.056   15.154  126.056   15.154  126.056   15.154   30.126   1.8530   30.126   1.8530 0.000000 0.000000 
1 1 1    0   19   11 o   51.318   1.4480  362.216   20.312  362.216   20.312  362.216   20.312   51.318   1.4480   51.318   1.4480 0.000000 0.000000 
1 1 1    0   19   12 o   5.6271   3.3305   4.9318   8.8583   4.9318   8.8583   4.9318   8.8583   5.6271   3.3305   5.6271   3.3305 0.000000 0.000000 
1 1 1    0   19   13 o   44.394   1.1103  270.824   13.478  270.824   13.478  270.824   13.478   44.394   1.1103   44.394   1.1103 0.000000 0.000000 
1 1 1    0   19   14 o   41.178   1.5587  234.178   17.519  234.178   17.519  234.178   17.519   41.178   1.5587   41.178   1.5587 0.000000 0.000000 
1 1 1    0   19   15 o   13.719   2.8463   29.240   9.4331   29.240   9.4331   29.240   9.4331   13.719   2.8463   13.719   2.8463 0.000000 0.000000 
1 1 1    0   19   16 o   16.369   2.4152   39.590   10.134   39.590   10.134   39.590   10.134   16.369   2.4152   16.369   2.4152 0.000000 0.000000 
1 1 1    0   19   17 o   30.959   1.5714  133.558   13.243  133.558   13.243  133.558   13.243   30.959   1.5714   30.959   1.5714 0.000000 0.000000 
1 1 1    0   19   18 o   10.758   3.9313   22.200   10.677   22.200   10.677   22.200   10.677   10.758   3.9313   10.758   3.9313 0.000000 0.000000 
1 1 1    0   19   19 o   31.324   2.1236  139.770   18.023  139.770   18.023  139.770   18.023   31.324   2.1236   31.324   2.1236 0.000000 0.000000 
1 1 1    0   20    0 o  120.366   2.5238  1991.17   83.102  1991.17   83.102  1991.17   83.102  120.366   2.5238  120.366   2.5238 0.000000 0.000000 
1 1 1    0   20    1 o   6.2200   3.3162   7.6654   7.6751   7.6654   7.6751   7.6654   7.6751   6.2200   3.3162   6.2200   3.3162 0.000000 0.000000 
1 1 1    0   20    2 o   79.096   1.5934  859.338   34.481  859.338   34.481  859.338   34.481   79.096   1.5934   79.096   1.5934 0.000000 0.000000 
1 1 1    0   20    3 o   61.119   1.1429  512.533   19.113  512.533   19.113  512.533   19.113   61.119   1.1429   61.119   1.1429 0.000000 0.000000 
1 1 1    0   20    4 o   69.006   1.1813  653.294   22.307  653.294   22.307  653.294   22.307   69.006   1.1813   69.006   1.1813 0.000000 0.000000 
1 1 1    0   20    5 f   88.958   1.3236  1085.82   32.227  1085.82   32.227  1085.82   32.227   88.958   1.3236   88.958   1.3236 0.000000 0.000000 
1 1 1    0   20    6 o   16.732   2.0836   40.218   9.1476   40.218   9.1476   40.218   9.1476   16.732   2.0836   16.732   2.0836 0.000000 0.000000 
1 1 1    0   20    7 o   61.772   1.1603  523.672   19.611  523.672   19.611  523.672   19.611   61.772   1.1603   61.772   1.1603 0.000000 0.000000 
1 1 1    0   20    8 o   38.072   1.2288  199.383   12.781  199.383   12.781  199.383   12.781   38.072   1.2288   38.072   1.2288 0.000000 0.000000 
1 1 1    0   20    9 o   11.486   3.8534   23.504   10.820   23.504   10.820   23.504   10.820   11.486   3.8534   11.486   3.8534 0.000000 0.000000 
1 1 1    0   20   10 o   53.372   2.0932  394.005   30.485  394.005   30.485  394.005   30.485   53.372   2.0932   53.372   2.0932 0.000000 0.000000 
1 1 1    0   20   11 o   50.434   1.4389  350.218   19.835  350.218   19.835  350.218   19.835   50.434   1.4389   50.434   1.4389 0.000000 0.000000 
1 1 1    0   20   12 o   35.990   1.5512  179.123   15.223  179.123   15.223  179.123   15.223   35.990   1.5512   35.990   1.5512 0.000000 0.000000 
1 1 1    0   20   13 o   4.2234   2.9480 -11.5846   12.450 -11.5846   12.450 -11.5846   12.450   4.2234   2.9480   4.2234   2.9480 0.000000 0.000000 
1 1 1    0   20   14 o   14.677   4.9249   39.676   17.671   39.676   17.671   39.676   17.671   14.677   4.9249   14.677   4.9249 0.000000 0.000000 
1 1 1    0   20   15 o   6.5804   3.5344   8.9652   8.7790   8.9652   8.7790   8.9652   8.7790   6.5804   3.5344   6.5804   3.5344 0.000000 0.000000 
1 1 1    0   20   16 o   26.867   1.4859  100.770   10.856  100.770   10.856  100.770   10.856   26.867   1.4859   26.867   1.4859 0.000000 0.000000 
1 1 1    0   20   17 o   8.7938   3.9972   16.490   10.418   16.490   10.418   16.490   10.418   8.7938   3.9972   8.7938   3.9972 0.000000 0.000000 
1 1 1    0   20   18 o   5.0566   3.2671   0.9456   10.579   0.9456   10.579   0.9456   10.579   5.0566   3.2671   5.0566   3.2671 0.000000 0.000000 
1 1 1    0   21    1 o   7.0905   3.4667   10.237   7.9608   10.237   7.9608   10.237   7.9608   7.0905   3.4667   7.0905   3.4667 0.000000 0.000000 
1 1 1    0   21    2 o   19.732   1.8001   54.793   9.5402   54.793   9.5402   54.793   9.5402   19.732   1.8001   19.732   1.8001 0.000000 0.000000 
1 1 1    0   21    3 o   31.105   1.2374  133.309   10.502  133.309   10.502  133.309   10.502   31.105   1.2374   31.105   1.2374 0.000000 0.000000 
1 1 1    0   21    4 o   44.541   1.1081  272.494   13.496  272.494   13.496  272.494   13.496   44.541   1.1081   44.541   1.1081 0.000000 0.000000 
1 1 1    0   21    5 o   16.478   2.0587   39.050   8.8973   39.050   8.8973   39.050   8.8973   16.478   2.0587   16.478   2.0587 0.000000 0.000000 
1 1 1    0   21    6 o   31.491   5.7525  153.152   44.710  153.152   44.710  153.152   44.710   31.491   5.7525   31.491   5.7525 0.000000 0.000000 
1 1 1    0   21    7 o   5.4832   3.3112   4.1070   9.1010   4.1070   9.1010   4.1070   9.1010   5.4832   3.3112   5.4832   3.3112 0.000000 0.000000 
1 1 1    0   21    8 o   4.4431   2.9179  -1.3765   8.9392  -1.3765   8.9392  -1.3765   8.9392   4.4431   2.9179   4.4431   2.9179 0.000000 0.000000 
1 1 1    0   21    9 o   3.4482   2.4560 -14.3209   10.163 -14.3209   10.163 -14.3209   10.163   3.4482   2.4560   3.4482   2.4560 0.000000 0.000000 
1 1 1    0   21   10 o   24.394   1.7654   83.265   11.651   83.265   11.651   83.265   11.651   24.394   1.7654   24.394   1.7654 0.000000 0.000000 
1 1 1    0   21   11 o   34.389   1.4342  163.604   13.452  163.604   13.452  163.604   13.452   34.389   1.4342   34.389   1.4342 0.000000 0.000000 
1 1 1    0   21   12 o   7.8275   4.2329   12.761   12.672   12.761   12.672   12.761   12.672   7.8275   4.2329   7.8275   4.2329 0.000000 0.000000 
1 1 1    0   21   13 o   7.5211   4.2108   11.581   13.019   11.581   13.019   11.581   13.019   7.5211   4.2108   7.5211   4.2108 0.000000 0.000000 
1 1 1    0   21   14 o   7.4762   4.1240   11.823   12.280   11.823   12.280   11.823   12.280   7.4762   4.1240   7.4762   4.1240 0.000000 0.000000 
1 1 1    0   21   15 o   6.2264   3.7053   6.8731   11.069   6.8731   11.069   6.8731   11.069   6.2264   3.7053   6.2264   3.7053 0.000000 0.000000 
1 1 1    0   21   16 o   34.634   1.9289  169.486   18.164  169.486   18.164  169.486   18.164   34.634   1.9289   34.634   1.9289 0.000000 0.000000 
1 1 1    0   22    0 o   16.399   9.1823   54.597   61.914   54.597   61.914   54.597   61.914   16.399   9.1823   16.399   9.1823 0.000000 0.000000 
1 1 1    0   22    1 f   23.851   1.5326   79.121   9.9150   79.121   9.9150   79.121   9.9150   23.851   1.5326   23.851   1.5326 0.000000 0.000000 
1 1 1    0   22    2 o   3.8329   2.6003  -4.2224   8.1822  -4.2224   8.1822  -4.2224   8.1822   3.8329   2.6003   3.8329   2.6003 0.000000 0.000000 
1 1 1    0   22    3 o   71.700   1.2299  706.240   24.131  706.240   24.131  706.240   24.131   71.700   1.2299   71.700   1.2299 0.000000 0.000000 
1 1 1    0   22    4 f   57.974   1.1350  461.732   18.003  461.732   18.003  461.732   18.003   57.974   1.1350   57.974   1.1350 0.000000 0.000000 
1 1 1    0   22    5 o   70.660   1.2020  686.031   23.243  686.031   23.243  686.031   23.243   70.660   1.2020   70.660   1.2020 0.000000 0.000000 
1 1 1    0   22    6 o   5.2740   3.1837   3.8848   8.4068   3.8848   8.4068   3.8848   8.4068   5.2740   3.1837   5.2740   3.1837 0.000000 0.000000 
1 1 1    0   22    7 o   21.278   1.5386   63.286   8.8572   63.286   8.8572   63.286   8.8572   21.278   1.5386   21.278   1.5386 0.000000 0.000000 
1 1 1    0   22    8 o   27.778   1.2699  106.760   9.6136  106.760   9.6136  106.760   9.6136   27.778   1.2699   27.778   1.2699 0.000000 0.000000 
1 1 1    0   22    9 o   19.284   1.9026   52.925   9.8221   52.925   9.8221   52.925   9.8221   19.284   1.9026   19.284   1.9026 0.000000 0.000000 
1 1 1    0   22   10 o   41.918   1.1764  242.356   13.479  242.356   13.479  242.356   13.479   41.918   1.1764   41.918   1.1764 0.000000 0.000000 
1 1 1    0   22   11 o   21.703   1.8738   66.851   10.945   66.851   10.945   66.851   10.945   21.703   1.8738   21.703   1.8738 0.000000 0.000000 
1 1 1    0   22   12 o   5.1574   3.3844  -0.7548   11.993  -0.7548   11.993  -0.7548   11.993   5.1574   3.3844   5.1574   3.3844 0.000000 0.000000 
1 1 1    0   22   13 o   5.4610   3.5166   1.4419   12.117   1.4419   12.117   1.4419   12.117   5.4610   3.5166   5.4610   3.5166 0.000000 0.000000 
1 1 1    0   22   14 f   15.114   3.3689   37.231   12.181   37.231   12.181   37.231   12.181   15.114   3.3689   15.114   3.3689 0.000000 0.000000 
1 1 1    0   23    1 o   21.578   2.2635   66.657   13.038   66.657   13.038   66.657   13.038   21.578   2.2635   21.578   2.2635 0.000000 0.000000 
1 1 1    0   23    2 o   4.7636   3.0041   1.6207   8.3102   1.6207   8.3102   1.6207   8.3102   4.7636   3.0041   4.7636   3.0041 0.000000 0.000000 
1 1 1    0   23    3 o   4.2559   2.7567  -0.1199   7.5955  -0.1199   7.5955  -0.1199   7.5955   4.2559   2.7567   4.2559   2.7567 0.000000 0.000000 
1 1 1    0   23    4 o   53.355   1.1486  391.855   16.764  391.855   16.764  391.855   16.764   53.355   1.1486   53.355   1.1486 0.000000 0.000000 
1 1 1    0   23    5 o   11.433   2.7848   21.125   7.5541   21.125   7.5541   21.125   7.5541   11.433   2.7848   11.433   2.7848 0.000000 0.000000 
1 1 1    0   23    6 o   31.178   1.1779  134.326   10.024  134.326   10.024  134.326   10.024   31.178   1.1779   31.178   1.1779 0.000000 0.000000 
1 1 1    0   23    7 o   60.287   1.2215  501.217   20.146  501.217   20.146  501.217   20.146   60.287   1.2215   60.287   1.2215 0.000000 0.000000 
1 1 1    0   23    8 o   37.144   1.0243  190.216   10.401  190.216   10.401  190.216   10.401   37.144   1.0243   37.144   1.0243 0.000000 0.000000 
1 1 1    0   23    9 o   15.493   1.7710   34.615   7.2598   34.615   7.2598   34.615   7.2598   15.493   1.7710   15.493   1.7710 0.000000 0.000000 
1 1 1    0   23   10 o   17.576   1.7738   44.268   8.3376   44.268   8.3376   44.268   8.3376   17.576   1.7738   17.576   1.7738 0.000000 0.000000 
1 1 1    0   23   11 f   18.467   1.8910   49.092   9.3327   49.092   9.3327   49.092   9.3327   18.467   1.8910   18.467   1.8910 0.000000 0.000000 
1 1 1    0   23   12 o   8.8916   3.9069   16.701   9.9517   16.701   9.9517   16.701   9.9517   8.8916   3.9069   8.8916   3.9069 0.000000 0.000000 
1 1 1    0   24    0 o   18.682   1.9968   49.810   9.9211   49.810   9.9211   49.810   9.9211   18.682   1.9968   18.682   1.9968 0.000000 0.000000 
1 1 1    0   24    1 o   7.9735   3.5901   13.191   8.3963   13.191   8.3963   13.191   8.3963   7.9735   3.5901   7.9735   3.5901 0.000000 0.000000 
1 1 1    0   24    2 o   4.2394   2.8003  -1.3851   8.4212  -1.3851   8.4212  -1.3851   8.4212   4.2394   2.8003   4.2394   2.8003 0.000000 0.000000 
1 1 1    0   24    3 o   9.8137   3.2143   17.336   7.6565   17.336   7.6565   17.336   7.6565   9.8137   3.2143   9.8137   3.2143 0.000000 0.000000 
1 1 1    0   24    4 o   16.026   1.8339   37.080   7.7755   37.080   7.7755   37.080   7.7755   16.026   1.8339   16.026   1.8339 0.000000 0.000000 
1 1 1    0   24    5 o   56.575   1.2700  442.595   19.653  442.595   19.653  442.595   19.653   56.575   1.2700   56.575   1.2700 0.000000 0.000000 
1 1 1    0   24    6 o   6.6475   4.3459   1.1490   19.502   1.1490   19.502   1.1490   19.502   6.6475   4.3459   6.6475   4.3459 0.000000 0.000000 
1 1 1    0   24    7 o   5.0117   3.5228 -17.2966   18.706 -17.2966   18.706 -17.2966   18.706   5.0117   3.5228   5.0117   3.5228 0.000000 0.000000 
1 1 1    0   24    8 o   9.4585   5.5588   20.621   24.371   20.621   24.371   20.621   24.371   9.4585   5.5588   9.4585   5.5588 0.000000 0.000000 
1 1 1    0   24    9 o   19.792   4.1816   64.955   19.940   64.955   19.940   64.955   19.940   19.792   4.1816   19.792   4.1816 0.000000 0.000000 
1 1 1    0   25    1 o   18.701   1.5987   49.664   8.0492   49.664   8.0492   49.664   8.0492   18.701   1.5987   18.701   1.5987 0.000000 0.000000 
1 1 1    0   25    2 o   7.5058   3.6881   12.280   9.0290   12.280   9.0290   12.280   9.0290   7.5058   3.6881   7.5058   3.6881 0.000000 0.000000 
1 1 1    0   25    3 f   4.6277   2.8995   2.1985   7.6015   2.1985   7.6015   2.1985   7.6015   4.6277   2.8995   4.6277   2.8995 0.000000 0.000000 
1 1 1    0   25    4 o   3.3317   2.2905  -4.4041   6.8245  -4.4041   6.8245  -4.4041   6.8245   3.3317   2.2905   3.3317   2.2905 0.000000 0.000000 
1 1 1    1    0    2 o  244.202   3.1156  8171.63  208.266  8171.63  208.266  8171.63  208.266  244.202   3.1156  244.202   3.1156 0.000000 0.000000 
1 1 1    1    0    3 f   54.954   0.8233  413.777   12.384  413.777   12.384  413.777   12.384   54.954   0.8233   54.954   0.8233 0.000000 0.000000 
1 1 1    1    0    4 o   85.422   1.1656  999.669   27.253  999.669   27.253  999.669   27.253   85.422   1.1656   85.422   1.1656 0.000000 0.000000 
1 1 1    1    0    5 o  119.332   1.5730  1950.92   51.380  1950.92   51.380  1950.92   51.380  119.332   1.5730  119.332   1.5730 0.000000 0.000000 
1 1 1    1    0    6 o  199.715   3.6364  5469.62  198.722  5469.62  198.722  5469.62  198.722  199.715   3.6364  199.715   3.6364 0.000000 0.000000 
1 1 1    1    0    7 o  206.637   2.6573  5851.50  150.307  5851.50  150.307  5851.50  150.307  206.637   2.6573  206.637   2.6573 0.000000 0.000000 
1 1 1    1    0    8 o  141.854   1.8633  2757.18   72.350  2757.18   72.350  2757.18   72.350  141.854   1.8633  141.854   1.8633 0.000000 0.000000 
1 1 1    1    0    9 o   40.655   1.1682  226.878   12.981  226.878   12.981  226.878   12.981   40.655   1.1682   40.655   1.1682 0.000000 0.000000 
1 1 1    1    0   10 o  172.864   2.2527  4094.29  106.595  4094.29  106.595  4094.29  106.595  172.864   2.2527  172.864   2.2527 0.000000 0.000000 
1 1 1    1    0   11 o  217.467   2.8045  6479.94  166.945  6479.94  166.945  6479.94  166.945  217.467   2.8045  217.467   2.8045 0.000000 0.000000 
1 1 1    1    0   12 o  141.685   1.8890  2750.35   73.259  2750.35   73.259  2750.35   73.259  141.685   1.8890  141.685   1.8890 0.000000 0.000000 
1 1 1    1    0   13 o  149.549   1.9878  3064.24   81.371  3064.24   81.371  3064.24   81.371  149.549   1.9878  149.549   1.9878 0.000000 0.000000 
1 1 1    1    0   14 o  201.397   3.7070  5562.55  204.281  5562.55  204.281  5562.55  204.281  201.397   3.7070  201.397   3.7070 0.000000 0.000000 
1 1 1    1    0   15 o   84.389   1.3513  975.921   31.208  975.921   31.208  975.921   31.208   84.389   1.3513   84.389   1.3513 0.000000 0.000000 
1 1 1    1    0   16 o  124.007   1.7216  2107.35   58.436  2107.35   58.436  2107.35   58.436  124.007   1.7216  124.007   1.7216 0.000000 0.000000 
1 1 1    1    0   17 o   38.502   1.7128  204.278   17.978  204.278   17.978  204.278   17.978   38.502   1.7128   38.502   1.7128 0.000000 0.000000 
1 1 1    1    0   18 o   42.099   1.3847  243.579   15.924  243.579   15.924  243.579   15.924   42.099   1.3847   42.099   1.3847 0.000000 0.000000 
1 1 1    1    0   19 o  106.196   1.5409  1546.23   44.789  1546.23   44.789  1546.23   44.789  106.196   1.5409  106.196   1.5409 0.000000 0.000000 
1 1 1    1    0   20 o   20.141   2.5910   58.369   13.641   58.369   13.641   58.369   13.641   20.141   2.5910   20.141   2.5910 0.000000 0.000000 
1 1 1    1    0   21 o  120.354   2.4092  1990.80   79.327  1990.80   79.327  1990.80   79.327  120.354   2.4092  120.354   2.4092 0.000000 0.000000 
1 1 1    1    0   22 f   40.149   1.6235  222.111   17.782  222.111   17.782  222.111   17.782   40.149   1.6235   40.149   1.6235 0.000000 0.000000 
1 1 1    1    0   23 o   70.912   1.4472  690.338   28.077  690.338   28.077  690.338   28.077   70.912   1.4472   70.912   1.4472 0.000000 0.000000 
1 1 1    1    0   24 o   11.938   5.3171   28.665   18.424   28.665   18.424   28.665   18.424   11.938   5.3171   11.938   5.3171 0.000000 0.000000 
1 1 1    1    0   25 o   54.133   1.6245  403.394   24.032  403.394   24.032  403.394   24.032   54.133   1.6245   54.133   1.6245 0.000000 0.000000 
1 1 1    1    0   26 o   6.0524   4.0763  -7.7074   19.410  -7.7074   19.410  -7.7074   19.410   6.0524   4.0763   6.0524   4.0763 0.000000 0.000000 
1 1 1    1    0   27 o   11.185   6.1220   26.880   26.821   26.880   26.821   26.880   26.821   11.185   6.1220   11.185   6.1220 0.000000 0.000000 
1 1 1    1    0   28 o   10.852   5.3442   26.211   18.976   26.211   18.976   26.211   18.976   10.852   5.3442   10.852   5.3442 0.000000 0.000000 
1 1 1    1    0   29 o   13.885   4.9123   37.610   16.986   37.610   16.986   37.610   16.986   13.885   4.9123   13.885   4.9123 0.000000 0.000000 
1 1 1    1    0   30 o   5.2121   3.5929  -9.5364   17.058  -9.5364   17.058  -9.5364   17.058   5.2121   3.5929   5.2121   3.5929 0.000000 0.000000 
1 1 1    1    1    0 o  196.091   2.8998  5269.62  155.634  5269.62  155.634  5269.62  155.634  196.091   2.8998  196.091   2.8998 0.000000 0.000000 
1 1 1    1    1    1 o   81.862   1.0967  917.609   24.583  910.710   34.526  924.702   35.011   81.550   1.5461   82.174   1.5559 -0.6239624 2.193447 
1 1 1    1    1    2 o  182.044   1.6494  4538.29   82.225  4515.03  115.694  4562.02  116.884  181.561   2.3270  182.503   2.3388 -0.9419861 3.299228 
1 1 1    1    1    3 o  267.026   2.4053  9766.34  175.878  9914.69  252.535  9626.61  245.089  268.994   3.4284  265.060   3.3767 3.933716 4.812043 
1 1 1    1    1    4 o  221.973   2.0076  6748.00  122.033  6882.19  176.019  6623.80  169.337  224.139   2.8678  219.893   2.8122 4.245712 4.016594 
1 1 1    1    1    5 o  345.466   3.1078 16352.04  294.001 16407.98  417.334 16296.93  414.243  345.935   4.4055  344.764   4.3878 1.170624 6.217820 
1 1 1    1    1    6 o  111.984   1.3339  1717.27   40.904  1710.71   64.419  1721.70   52.948  111.757   2.1050  112.122   1.7245 -0.3658218 2.721198 
1 1 1    1    1    7 o   84.116   0.8410  968.845   19.371  980.903   27.678  957.267   27.121   84.634   1.1943   83.608   1.1846 1.025780 1.682119 
1 1 1    1    1    8 o  169.378   1.5538  3929.28   72.066  3904.68  101.280  3954.50  102.565  168.820   2.1908  169.893   2.2046 -1.072968 3.108069 
1 1 1    1    1    9 o  592.402   6.1629 48250.59  999.752 49017.16  1435.84 47529.23  1392.86  595.804   8.8006  586.765   8.6687 9.038879 12.35305 
1 1 1    1    1   10 o  166.907   1.6459  3815.04   75.226  3899.10  117.473  3756.61   97.942  168.711   2.5428  165.611   2.1597 3.099854 3.336138 
1 1 1    1    1   11 o  475.656   4.2755 31013.13  556.889 31072.65  789.149 30954.09  785.981  475.836   6.0564  474.930   6.0436 0.9064026 8.555941 
1 1 1    1    1   12 o   35.724   0.9786  174.744   9.5731  174.872   14.700  174.649   12.615   35.735   1.5022   35.713   1.2899 0.2216339E-01 1.980014 
1 1 1    1    1   13 o  197.707   1.8145  5353.20   98.233  5332.48  138.392  5374.24  139.460  197.300   2.5615  198.070   2.5712 -0.7706299 3.629401 
1 1 1    1    1   14 o   72.734   1.1334  724.403   22.574  729.643   35.798  720.944   29.085   72.990   1.7911   72.557   1.4639 0.4328690 2.313174 
1 1 1    1    1   15 o  214.846   1.9689  6322.98  115.835  6354.43  164.669  6292.17  162.975  215.328   2.7927  214.271   2.7776 1.056442 3.938797 
1 1 1    1    1   16 o   78.755   0.9375  849.362   20.218  835.451   28.374  863.710   28.817   78.100   1.3267   79.410   1.3252 -1.309906 1.875199 
1 1 1    1    1   17 o  104.370   1.2384  1492.27   35.392  1490.58   49.943  1493.98   50.163  104.282   1.7489  104.400   1.7546 -0.1183929 2.477403 
1 1 1    1    1   18 o   55.956   0.8894  428.880   13.628  422.312   19.133  435.646   19.417   55.514   1.2586   56.383   1.2576 -0.8696556 1.779253 
1 1 1    1    1   19 o  139.124   1.3369  2653.09   50.931  2669.82   72.448  2636.75   71.613  139.483   1.8968  138.618   1.8866 0.8648071 2.675271 
1 1 1    1    1   20 o   62.454   0.9003  534.374   15.397  549.852   22.138  519.871   21.429   63.333   1.2765   61.583   1.2708 1.750492 1.801195 
1 1 1    1    1   21 o   31.074   1.4869  132.471   12.653  135.530   21.256  130.792   15.746   31.275   2.5029   30.802   1.8758 0.4734821 3.127769 
1 1 1    1    1   22 f   29.972   1.4250  123.276   11.695  127.118   16.698  119.577   16.385   30.334   2.0219   29.413   2.0471 0.9209709 2.877254 
1 1 1    1    1   23 o   32.694   1.7119  147.336   15.273  137.740   21.675  156.799   21.524   31.479   2.5360   33.633   2.3519 -2.153400 3.458724 
1 1 1    1    1   24 f   82.284   1.1376  929.037   25.632  938.750   39.190  921.776   33.885   82.596   1.7327   81.895   1.5110 0.7011414 2.299016 
1 1 1    1    1   25 o   22.016   2.3375   67.844   13.877   52.351   19.570   83.511   19.680   18.932   3.9045   24.291   3.0241 -5.358416 4.938644 
1 1 1    1    1   26 o   65.900   1.1035  596.760   19.914  571.494   27.768  623.515   28.575   64.370   1.5753   67.243   1.5518 -2.873154 2.211325 
1 1 1    1    1   27 o   34.336   1.9404  164.766   18.170  163.914   28.476  165.351   23.598   33.714   3.1198   34.151   2.5415 -0.4374008 4.023984 
1 1 1    1    1   28 o   45.615   1.3286  288.751   16.596  287.460   25.266  289.731   22.009   45.102   2.0457   45.459   1.7680 -0.3570786 2.703886 
1 1 1    1    1   29 o   7.6971   3.3912  -0.3492   13.906 -16.4855   20.203   14.177   19.169   7.6334   3.6169   10.647   4.2852 -3.013801 5.607616 
1 1 1    1    2    0 o  213.834   3.1577  6266.70  184.808  6266.70  184.808  6266.70  184.808  213.834   3.1577  213.834   3.1577 0.000000 0.000000 
1 1 1    1    2    1 o   33.426   0.6026  152.986   5.5160  148.157   7.6796  158.133   7.9281   32.894   0.8526   33.984   0.8519 -1.089428 1.205261 
1 1 1    1    2    2 o  557.816   4.7270 42665.38  722.054 42583.88  1081.21 42730.99  970.080  556.776   7.0915  557.918   6.3496 -1.142151 9.518808 
1 1 1    1    2    3 o  639.528   5.7455 56119.46  1006.19 56063.95  1421.39 56175.21  1424.54  638.524   8.1292  639.154   8.1392 -0.6298828 11.50345 
1 1 1    1    2    4 o  495.521   4.4491 33663.44  603.706 33904.15  859.989 33429.57  847.683  496.954   6.3196  493.474   6.2731 3.480743 8.904394 
1 1 1    1    2    5 o  207.358   1.8803  5888.72  106.766  5886.23  150.975  5891.20  151.004  207.286   2.6598  207.374   2.6592 -0.8758545E-01 3.761063 
1 1 1    1    2    6 o  140.239   1.3850  2693.25   53.187  2699.27   81.410  2688.76   70.252  140.378   2.1178  140.112   1.8310 0.2659302 2.799605 
1 1 1    1    2    7 o  219.832   2.1332  6620.52  128.413  6598.03  169.316  6650.99  197.024  219.411   2.8181  220.252   3.2667 -0.8406830 4.314260 
1 1 1    1    2    8 o  187.433   1.7116  4811.88   87.851  4811.11  124.244  4812.65  124.237  187.382   2.4214  187.412   2.4208 -0.3010559E-01 3.423938 
1 1 1    1    2    9 o  103.116   1.1563  1456.03   32.650  1474.06   46.692  1438.79   45.673  103.745   1.6436  102.497   1.6273 1.248344 2.312854 
1 1 1    1    2   10 o  115.032   1.1818  1811.94   37.228  1831.93   57.550  1797.55   48.817  115.657   1.8171  114.570   1.5560 1.086769 2.392304 
1 1 1    1    2   11 f  221.717   2.0190  6732.41  122.580  6728.98  173.274  6735.85  173.434  221.633   2.8550  221.746   2.8562 -0.1130524 4.038463 
1 1 1    1    2   12 o  304.257   2.7501 12681.47  229.132 12717.54  325.103 12645.87  322.990  304.609   3.8975  303.751   3.8831 0.8583069 5.501764 
1 1 1    1    2   13 o  134.737   1.3752  2485.98   50.739  2481.81   67.216  2491.51   77.362  134.616   1.8234  134.874   2.0946 -0.2573547 2.777109 
1 1 1    1    2   14 o  218.825   2.1397  6559.10  128.214  6639.80  198.302  6501.14  168.070  220.102   3.2901  217.821   2.8177 2.280380 4.331821 
1 1 1    1    2   15 o   99.752   1.0430  1362.58   28.490  1383.39   40.844  1342.86   39.761  100.503   1.4841   99.020   1.4664 1.482986 2.086306 
1 1 1    1    2   16 o  149.559   1.6371  3064.41   67.046  3049.98   94.350  3079.14   95.291  149.162   2.3099  149.872   2.3219 -0.7103882 3.275175 
1 1 1    1    2   17 o  168.684   1.6870  3900.12   77.926  3921.13  103.600  3872.75  118.256  169.068   2.2377  167.970   2.5710 1.097504 3.408450 
1 1 1    1    2   18 o   75.678   0.9136  784.521   18.932  783.385   26.729  785.666   26.821   75.606   1.2910   75.716   1.2936 -0.1098938 1.827587 
1 1 1    1    2   19 o   60.394   0.8891  499.656   14.703  490.992   20.577  508.695   21.017   59.853   1.2555   60.923   1.2598 -1.069279 1.778586 
1 1 1    1    2   20 o   24.992   1.6120   86.037   10.973   71.772   14.464  105.380   16.843   22.727   2.3584   27.600   2.2480 -4.872538 3.258210 
1 1 1    1    2   21 o  102.480   1.1609  1439.72   32.578  1436.55   49.657  1442.11   43.167  102.282   1.7729  102.517   1.5377 -0.2347183 2.346865 
1 1 1    1    2   22 o   48.980   1.0480  328.889   14.056  333.512   19.861  324.249   19.896   49.293   1.4714   48.602   1.4950 0.6912842 2.097581 
1 1 1    1    2   23 o   64.603   1.2952  572.780   22.913  593.998   36.407  558.862   29.485   65.678   2.0243   63.761   1.6887 1.916611 2.636226 
1 1 1    1    2   24 o   49.995   1.3316  343.258   18.230  363.290   26.160  324.345   25.418   51.360   1.8600   48.521   1.9130 2.839172 2.668224 
1 1 1    1    2   25 o   36.602   1.5847  184.414   15.883  180.318   24.428  187.415   20.906   35.969   2.4956   36.770   2.0849 -0.8009644 3.251849 
1 1 1    1    2   26 o   11.519   3.7596   18.474   13.633   30.244   19.425   7.0490   19.138   14.384   4.4646   10.386   4.2443 3.998574 6.160086 
1 1 1    1    2   27 o   7.9854   3.4082   1.0291   13.166  -3.6367   18.881   5.4456   18.369   8.8541   3.9236   9.8464   4.1038 -0.9923172 5.677638 
1 1 1    1    2   28 o   10.389   3.8629   14.302   14.674   2.0593   17.824   40.053   25.849   9.0599   3.9173   15.425   5.1821 -6.365450 6.496134 
1 1 1    1    2   29 o   18.853   2.7875   53.729   13.957   56.760   20.021   50.864   19.466   18.462   4.0698   17.387   4.1467 1.075054 5.810232 
1 1 1    1    3    0 o  391.047   7.0449 20991.37  753.833 20991.37  753.833 20991.37  753.833  391.047   7.0449  391.047   7.0449 0.000000 0.000000 
1 1 1    1    3    1 o  416.009   4.0086 23720.27  456.655 22754.79  668.684 24564.07  625.129  407.190   5.9970  423.164   5.3948 -15.97318 8.066437 
1 1 1    1    3    2 o  512.260   4.6078 35978.39  646.362 36022.34  915.639 35934.74  912.555  512.216   6.5280  511.596   6.5139 0.6201172 9.222048 
1 1 1    1    3    3 o  205.865   1.7561  5803.86   98.998  5788.71  148.108  5816.09  133.100  205.570   2.6311  206.065   2.3588 -0.4951019 3.533584 
1 1 1    1    3    4 o  376.352   3.3826 19409.66  348.611 19334.38  491.008 19486.19  495.036  375.462   4.7757  376.930   4.7961 -1.468353 6.768254 
1 1 1    1    3    5 f  148.021   1.5691  3000.57   63.600  3034.04   90.958  2968.55   88.964  148.828   2.2319  147.214   2.2069 1.614273 3.138707 
1 1 1    1    3    6 o  200.323   1.8199  5496.49   99.829  5486.74  140.922  5506.32  141.439  200.107   2.5717  200.463   2.5766 -0.3564606 3.640423 
1 1 1    1    3    7 f  154.387   1.5202  3264.50   64.269  3206.97   83.498  3348.11  100.670  153.003   1.9929  156.318   2.3518 -3.314117 3.082648 
1 1 1    1    3    8 o   33.907   0.7641  157.424   7.0949  160.806   9.5461  153.251   10.605   34.268   1.0173   33.453   1.1576 0.8152542 1.541093 
1 1 1    1    3    9 o  325.650   2.9358 14530.90  261.797 14611.67  372.328 14451.91  368.182  326.429   4.1653  324.642   4.1416 1.786560 5.873899 
1 1 1    1    3   10 o  382.916   3.6868 20093.69  386.582 20111.22  512.035 20070.44  589.540  382.952   4.8828  382.464   5.6290 0.4882813 7.451667 
1 1 1    1    3   11 o   93.764   0.9542  1203.80   24.499  1203.41   34.718  1204.19   34.576   93.746   1.3524   93.776   1.3464 -0.3025818E-01 1.908392 
1 1 1    1    3   12 o  159.881   1.4882  3500.46   65.156  3531.42   92.982  3470.60   91.329  160.574   2.1146  159.185   2.0952 1.388321 2.976809 
1 1 1    1    3   13 o  198.638   2.1049  5404.38  114.492  5471.91  163.962  5340.12  159.945  199.838   2.9962  197.419   2.9586 2.419357 4.210819 
1 1 1    1    3   14 o  234.882   2.1413  7557.29  137.726  7578.97  195.372  7535.87  194.181  235.163   3.0339  234.494   3.0240 0.6688690 4.283618 
1 1 1    1    3   15 o   68.699   0.9677  646.289   18.204  644.604   24.005  648.569   27.927   68.606   1.2777   68.814   1.4821 -0.2078094 1.956812 
1 1 1    1    3   16 o   82.125   1.1890  923.776   26.738  917.611   34.471  933.086   42.365   81.841   1.5381   82.516   1.8749 -0.6751480 2.425112 
1 1 1    1    3   17 o   88.113   1.0412  1063.49   25.123  1059.64   33.060  1068.76   38.650   87.938   1.3729   88.304   1.5984 -0.3653488 2.107045 
1 1 1    1    3   18 o  143.209   1.4626  2811.53   57.355  2763.18   86.284  2849.81   76.772  141.857   2.2212  144.112   1.9454 -2.254486 2.952702 
1 1 1    1    3   19 o  122.258   1.2896  2048.73   43.175  2049.98   66.034  2047.80   57.062  122.206   1.9733  122.180   1.7055 0.2588654E-01 2.608171 
1 1 1    1    3   20 o   75.325   1.0837  777.564   22.352  784.470   32.130  771.087   31.117   75.623   1.5515   74.978   1.5155 0.6446457 2.168904 
1 1 1    1    3   21 o   29.302   1.4139  117.787   11.346  125.744   16.123  109.982   15.968   30.187   1.9612   28.208   2.0820 1.978754 2.860184 
1 1 1    1    3   22 o   69.591   1.1365  664.094   21.657  656.660   30.727  671.433   30.530   69.145   1.6228   69.922   1.5945 -0.7772217 2.275081 
1 1 1    1    3   23 o   58.276   1.1346  465.863   18.106  446.861   23.751  492.229   27.976   57.033   1.5208   59.832   1.7075 -2.799103 2.286565 
1 1 1    1    3   24 o   75.722   1.1194  786.768   23.211  776.460   30.319  801.366   36.079   75.165   1.4730   76.308   1.7266 -1.142593 2.269578 
1 1 1    1    3   25 f   17.182   3.2321   42.623   14.648   47.171   19.252   36.369   22.574   17.909   4.0239   15.801   4.7966 2.107537 6.260911 
1 1 1    1    3   26 o   8.6540   3.5374   4.5118   13.297   10.552   19.020  -1.2639   18.598   10.852   4.3015   9.1715   3.9835 1.680064 5.862676 
1 1 1    1    3   27 o   20.784   2.3924   61.632   13.368   68.720   19.155   54.902   18.664   21.570   3.3517   19.083   3.7051 2.487055 4.996219 
1 1 1    1    3   28 o   17.309   2.9640   44.998   13.544   55.692   17.966   30.918   20.614   18.938   3.5960   13.807   4.6278 5.130792 5.860656 
1 1 1    1    3   29 o   10.445   3.4707   16.947   11.599   22.765   16.035   10.563   16.799   11.839   4.0798   9.7605   3.9812 2.078581 5.700420 
1 1 1    1    4    0 o  222.090   3.2782  6760.22  199.270  6760.22  199.270  6760.22  199.270  222.090   3.2782  222.090   3.2782 0.000000 0.000000 
1 1 1    1    4    1 o  251.512   2.0339  8663.68  140.083  8700.71  222.415  8639.34  180.349  251.995   3.2232  251.135   2.6225 0.8600006 4.155271 
1 1 1    1    4    2 o  200.529   1.6268  5506.75   89.330  5530.43  126.871  5483.46  125.800  200.940   2.3057  200.085   2.2960 0.8548889 3.253931 
1 1 1    1    4    3 o  265.585   2.2601  9661.42  164.370  9682.45  247.267  9644.78  220.020  265.807   3.3971  265.314   3.0284 0.4929810 4.551003 
1 1 1    1    4    4 o  145.559   1.3387  2901.40   53.360  2873.82   74.804  2929.97   76.137  144.854   1.8859  146.262   1.9010 -1.407867 2.677714 
1 1 1    1    4    5 o  203.694   1.9756  5683.37  110.194  5632.34  144.466  5754.35  170.403  202.745   2.6021  204.901   3.0370 -2.156128 3.999280 
1 1 1    1    4    6 o  361.836   3.2586 17951.00  322.878 17826.62  453.513 18078.83  459.789  360.331   4.5962  362.864   4.6273 -2.533142 6.522007 
1 1 1    1    4    7 o  142.737   1.3221  2790.18   51.675  2773.12   72.640  2807.65   73.528  142.285   1.8644  143.167   1.8755 -0.8828278 2.644492 
1 1 1    1    4    8 o  119.715   1.3075  1962.60   42.864  1967.47   60.840  1957.80   60.400  119.853   1.8538  119.558   1.8449 0.2946167 2.615331 
1 1 1    1    4    9 o  255.737   2.3149  8958.18  162.113  8978.73  229.825  8937.83  228.704  255.979   3.2787  255.395   3.2702 0.5832367 4.630770 
1 1 1    1    4   10 o  171.271   1.6862  4017.03   79.083  4047.39  105.385  3977.89  119.649  171.905   2.2387  170.415   2.5640 1.490768 3.403789 
1 1 1    1    4   11 o  248.520   2.4106  8459.60  164.050  8549.58  253.421  8394.69  215.232  249.772   3.7052  247.529   3.1753 2.242783 4.879669 
1 1 1    1    4   12 o  120.424   1.2478  1985.81   41.147  2007.86   54.959  1957.68   62.067  121.086   1.6575  119.559   1.8958 1.526588 2.518210 
1 1 1    1    4   13 o  100.655   1.1046  1387.32   30.446  1399.32   40.661  1372.01   45.934  101.086   1.4689  100.091   1.6759 0.9941864 2.228546 
1 1 1    1    4   14 o   35.699   1.1750  174.520   11.486  207.872   18.837  154.777   14.493   38.958   1.7657   33.618   1.5743 5.340336 2.365657 
1 1 1    1    4   15 o  102.092   1.1312  1427.39   31.624  1445.85   42.369  1404.17   47.520  102.741   1.5060  101.243   1.7140 1.498062 2.281624 
1 1 1    1    4   16 o  179.069   1.7790  4394.47   87.234  4343.83  131.793  4433.96  116.376  177.926   2.7050  179.808   2.3636 -1.882065 3.592115 
1 1 1    1    4   17 o   98.143   1.0306  1319.47   27.696  1297.28   38.641  1342.91   39.718   97.291   1.4504   98.986   1.4653 -1.695389 2.061731 
1 1 1    1    4   18 o  132.887   1.3756  2420.58   50.056  2414.39   76.274  2425.26   66.342  132.617   2.1003  132.959   1.8221 -0.3416138 2.780558 
1 1 1    1    4   19 o   29.868   1.2496  122.274   10.221  121.306   14.479  123.237   14.430   29.679   1.7899   29.917   1.7693 -0.2380886 2.516722 
1 1 1    1    4   20 o   13.947   3.1238   27.897   11.634   9.5948   16.359   46.625   16.549   10.395   4.0278   18.069   3.4707 -7.674415 5.316840 
1 1 1    1    4   21 o   57.047   1.0325  446.061   16.130  451.697   21.376  438.608   24.580   57.383   1.3603   56.527   1.5880 0.8567543 2.090970 
1 1 1    1    4   22 o   37.718   1.3490  195.229   13.934  192.448   18.736  198.671   20.842   37.414   1.8287   37.945   2.0131 -0.5310173 2.719710 
1 1 1    1    4   23 o   26.341   1.8099   95.919   12.976  100.885   18.460   91.070   18.243   26.897   2.5363   25.521   2.6489 1.375769 3.667352 
1 1 1    1    4   24 o   14.941   3.4897   32.448   14.019   32.227   18.410   32.754   21.628   14.911   4.2828   15.159   4.7120 -0.2477722 6.367525 
1 1 1    1    4   25 o   11.816   3.7137   19.625   13.393   4.8830   18.840   34.683   19.042   10.086   4.1758   15.355   4.3374 -5.268744 6.020862 
1 1 1    1    4   26 o   19.269   3.0560   53.677   15.587   33.798   22.295   72.682   21.799   15.098   4.7970   22.245   3.7093 -7.147036 6.063797 
1 1 1    1    4   27 o   9.6068   3.6129   10.903   12.908   10.896   18.680   10.909   17.856   10.607   4.2439   10.470   4.1622 0.1369677 5.944329 
1 1 1    1    4   28 o   7.4106   3.2952  -2.3348   13.428 -16.8919   19.678   10.350   18.369   7.5960   3.5904   10.181   4.1592 -2.585151 5.494490 
1 1 1    1    4   29 o   10.623   3.4597   17.796   11.547  -1.9879   15.702   41.091   17.039   7.8693   3.5266   15.617   3.9744 -7.747682 5.313400 
1 1 1    1    5    0 o   24.889   0.8497   85.115   5.7759   85.115   5.7759   85.115   5.7759   24.889   0.8497   24.889   0.8497 0.000000 0.000000 
1 1 1    1    5    1 o  120.308   1.1144  1981.95   36.714  1976.48   51.861  1987.45   51.983  120.135   1.5765  120.468   1.5758 -0.3330612 2.228979 
1 1 1    1    5    2 o   58.466   0.8015  468.052   12.831  455.789   19.864  476.832   16.809   57.693   1.2573   59.011   1.0402 -1.318153 1.631846 
1 1 1    1    5    3 o  294.816   2.5080 11908.16  202.474 12237.20  312.762 11670.77  265.653  298.733   3.8233  291.791   3.3247 6.942108 5.066704 
1 1 1    1    5    4 o  146.472   1.3439  2938.08   53.901  2901.71   86.799  2960.91   68.767  145.536   2.1780  147.029   1.7080 -1.493515 2.767833 
1 1 1    1    5    5 o  145.616   1.4349  2904.00   57.217  2889.36   75.376  2923.90   87.893  145.234   1.8953  146.087   2.1971 -0.8532562 2.901628 
1 1 1    1    5    6 o  306.714   2.7657 12892.94  232.286 12765.24  325.167 13026.03  331.943  305.044   3.8927  308.138   3.9339 -3.093872 5.534371 
1 1 1    1    5    7 f   62.730   0.7128  538.804   12.245  539.215   17.419  538.402   17.215   62.752   1.0137   62.705   1.0026 0.4725647E-01 1.425774 
1 1 1    1    5    8 o  223.538   2.3432  6844.70  143.436  6805.07  201.573  6885.35  204.148  222.842   3.3033  224.152   3.3259 -1.309280 4.687597 
1 1 1    1    5    9 o  333.405   3.0047 15228.56  274.325 15120.93  385.204 15339.31  390.764  332.128   4.2354  334.515   4.2659 -2.386993 6.011358 
1 1 1    1    5   10 o  446.001   4.2913 27267.27  524.098 27534.64  700.326 26926.91  790.152  447.980   5.7089  442.870   6.5155 5.110260 8.662708 
1 1 1    1    5   11 o   30.449   1.0795  126.954   9.0013  130.166   14.416  124.902   11.524   30.782   1.7171   30.201   1.3934 0.5807552 2.211326 
1 1 1    1    5   12 o  161.945   1.7387  3591.72   77.104  3589.25  133.430  3592.95   94.475  161.849   3.0106  161.963   2.1302 -0.1133728 3.687986 
1 1 1    1    5   13 o  187.080   1.7254  4793.39   88.389  4796.47  125.149  4790.32  124.853  187.112   2.4425  186.993   2.4383 0.1197510 3.451248 
1 1 1    1    5   14 o  127.425   1.3239  2223.66   46.195  2215.14   70.503  2230.07   61.151  127.160   2.0247  127.597   1.7501 -0.4366684 2.676281 
1 1 1    1    5   15 o  107.086   1.2588  1570.63   36.913  1545.31   51.946  1596.46   52.465  106.200   1.7862  107.944   1.7749 -1.743843 2.518121 
1 1 1    1    5   16 o   46.311   0.9260  293.736   11.743  294.285   16.671  293.194   16.543   46.347   1.3136   46.261   1.3059 0.8583069E-01 1.852289 
1 1 1    1    5   17 o   46.661   0.9338  298.239   11.931  306.774   16.894  289.746   16.852   47.313   1.3040   45.980   1.3384 1.333019 1.868579 
1 1 1    1    5   18 f   58.587   1.0323  470.274   16.562  468.865   23.361  471.698   23.484   58.480   1.4588   58.656   1.4620 -0.1762848 2.065352 
1 1 1    1    5   19 o   54.974   0.9044  414.032   13.615  420.565   19.398  407.690   19.114   55.390   1.2789   54.535   1.2799 0.8544846 1.809387 
1 1 1    1    5   20 o   40.583   1.0809  225.733   12.013  228.608   17.103  222.933   16.876   40.820   1.5300   40.310   1.5288 0.5098343 2.162957 
1 1 1    1    5   21 o   17.147   2.3872   41.271   10.905   51.223   15.573   31.697   15.276   19.006   3.0991   14.820   3.7586 4.186070 4.871497 
1 1 1    1    5   22 o   24.092   2.3143   80.749   15.080   91.869   24.487   73.955   19.141   25.446   3.6160   22.889   3.1362 2.556349 4.786559 
1 1 1    1    5   23 o   25.198   1.9017   87.922   13.025   78.406   18.419   97.440   18.421   23.601   2.9118   26.416   2.5795 -2.815363 3.890069 
1 1 1    1    5   24 o  106.589   1.1710  1559.65   34.180  1553.54   48.184  1565.84   48.494  106.240   1.6563  106.658   1.6604 -0.4183197 2.345196 
1 1 1    1    5   25 o   28.833   1.8936  115.367   14.868  113.327   22.640  116.913   19.716   28.304   2.9650   28.880   2.5182 -0.5757217 3.890058 
1 1 1    1    5   26 o   44.089   1.4626  268.398   17.658  270.350   25.179  266.509   24.769   44.057   2.0870   43.750   2.0675 0.3071518 2.937722 
1 1 1    1    5   27 o   9.4260   3.5727   10.401   12.681   31.148   18.049  -9.8207   17.819   14.113   4.2900   7.8733   3.6168 6.240105 5.611236 
1 1 1    1    5   28 o   11.575   3.9951   20.748   15.379   58.509   24.005  -5.5433   20.030   18.413   4.7344   8.5725   3.8986 9.840880 6.132978 
1 1 1    1    5   29 o   31.735   1.4532  141.561   12.629  151.227   17.203  130.262   18.598   32.419   1.9468   29.799   2.2969 2.620008 3.010963 
1 1 1    1    6    0 o  188.606   2.7997  4876.01  144.526  4876.01  144.526  4876.01  144.526  188.606   2.7997  188.606   2.7997 0.000000 0.000000 
1 1 1    1    6    1 o  370.040   3.3321 18773.87  337.647 18754.94  477.145 18792.85  477.864  369.599   4.7144  369.972   4.7168 -0.3728027 6.668882 
1 1 1    1    6    2 o  136.034   1.4525  2534.38   54.105  2495.36   75.493  2575.59   77.583  134.965   2.0427  137.117   2.0663 -2.151550 2.905494 
1 1 1    1    6    3 o  102.912   0.8706  1450.22   24.534  1437.73   34.442  1463.09   34.955  102.463   1.2276  103.362   1.2350 -0.8995819 1.741287 
1 1 1    1    6    4 o  163.793   1.5007  3674.35   67.309  3544.05   91.621  3827.12   99.209  160.841   2.0802  167.137   2.1676 -6.295776 3.004327 
1 1 1    1    6    5 o  361.011   3.0629 17864.44  302.789 17632.20  448.054 18059.66  410.785  358.409   4.5652  362.810   4.1347 -4.400116 6.159311 
1 1 1    1    6    6 o   47.597   0.6864  310.196   8.9469  334.552   14.337  294.660   11.450   49.429   1.0592   46.389   0.9014 3.039757 1.390830 
1 1 1    1    6    7 o  354.746   3.6871 17248.88  358.169 17155.85  503.790 17343.97  509.312  353.600   5.2029  355.529   5.2314 -1.929230 7.378216 
1 1 1    1    6    8 o  180.859   1.9138  4479.65   94.780  4574.57  136.866  4392.19  131.382  182.742   2.7351  179.064   2.6794 3.678162 3.828796 
1 1 1    1    6    9 o  423.308   3.8081 24556.76  441.418 24674.19  627.348 24441.61  621.215  424.122   5.4017  422.123   5.3742 1.999573 7.619708 
1 1 1    1    6   10 o  151.048   1.6271  3124.44   67.300  3207.74   97.677  3049.14   92.859  153.034   2.3309  149.204   2.2728 3.829712 3.255511 
1 1 1    1    6   11 o   55.246   0.9444  417.922   14.288  401.269   19.936  435.510   20.488   54.132   1.3449   56.395   1.3267 -2.262478 1.889135 
1 1 1    1    6   12 o  200.173   2.1183  5488.36  116.114  5469.77  163.668  5507.21  164.758  199.794   2.9915  200.477   3.0012 -0.6821747 4.237492 
1 1 1    1    6   13 o  177.356   1.6438  4308.04   79.834  4307.63  112.885  4308.44  112.918  177.321   2.3248  177.337   2.3253 -0.1664734E-01 3.288108 
1 1 1    1    6   14 o   94.347   1.0727  1219.00   27.715  1236.23   37.074  1197.18   41.727   95.004   1.4251   93.487   1.6299 1.517563 2.165089 
1 1 1    1    6   15 o  204.867   2.3816  5755.73  133.606  5764.64  211.662  5749.83  172.261  204.779   3.7746  204.654   3.0738 0.1252747 4.867833 
1 1 1    1    6   16 o  132.164   1.3616  2393.58   49.279  2385.07   64.912  2405.16   75.711  131.889   1.7973  132.410   2.0881 -0.5208435 2.755092 
1 1 1    1    6   17 o  158.597   1.4930  3448.42   64.842  3447.30   91.610  3449.54   91.791  158.468   2.1111  158.519   2.1146 -0.5068970E-01 2.988045 
1 1 1    1    6   18 o  105.189   1.1521  1516.27   33.185  1531.24   44.155  1496.83   50.307  105.672   1.5259  104.452   1.7588 1.220016 2.328486 
1 1 1    1    6   19 o  115.723   1.3376  1836.09   42.386  1814.92   59.241  1858.30   60.671  114.976   1.8816  116.338   1.9044 -1.362053 2.677189 
1 1 1    1    6   20 o   45.547   1.0154  284.319   12.665  297.935   18.166  271.442   17.666   46.603   1.4235   44.481   1.4503 2.121811 2.032178 
1 1 1    1    6   21 o   30.089   1.4152  124.249   11.660  131.068   16.450  117.364   16.530   30.809   1.9601   29.130   2.0860 1.679008 2.862403 
1 1 1    1    6   22 o   74.455   1.2720  760.730   25.934  786.394   41.951  744.855   32.994   75.569   2.0273   73.619   1.6366 1.949379 2.605440 
1 1 1    1    6   23 o   41.676   1.2565  238.448   14.340  239.116   20.137  237.761   20.425   41.681   1.7643   41.559   1.7948 0.1220436 2.516755 
1 1 1    1    6   24 o   54.884   1.1172  413.499   16.791  412.034   23.663  414.984   23.829   54.716   1.5793   54.910   1.5848 -0.1945419 2.237351 
1 1 1    1    6   25 o   18.165   2.9829   47.466   14.323   50.432   21.966   45.272   18.891   18.330   4.4263   17.449   4.0343 0.8811245 5.988941 
1 1 1    1    6   26 o   44.668   1.2402  275.093   15.170  274.167   21.742  275.971   21.176   44.428   1.7871   44.592   1.7342 -0.1644783 2.490184 
1 1 1    1    6   27 o   11.615   3.5845   20.506   12.542   24.741   17.455   15.985   18.032   12.702   4.2584   11.156   4.2527 1.546030 6.018255 
1 1 1    1    6   28 o   8.7191   3.6461   5.7560   14.569   0.2200   22.023   10.064   19.428   9.4321   4.2053   10.141   4.2229 -0.7087173 5.959651 
1 1 1    1    6   29 o   7.7743   3.2334   4.7774   11.370   4.6055   15.184   4.9969   17.156   8.5277   3.6504   8.9333   3.8529 -0.4056273 5.307569 
1 1 1    1    7    0 o   78.033   1.0837  834.256   23.147  834.256   23.147  834.256   23.147   78.033   1.0837   78.033   1.0837 0.000000 0.000000 
1 1 1    1    7    1 o  128.065   1.2633  2245.99   44.301  2268.07   68.422  2230.06   58.131  128.674   1.9418  127.600   1.6637 1.074425 2.557050 
1 1 1    1    7    2 o  174.111   1.6968  4152.08   80.901  4108.28  122.430  4186.04  107.786  173.149   2.5821  174.797   2.2519 -1.648453 3.426112 
1 1 1    1    7    3 o  110.717   1.4715  1678.80   44.613  1654.40   61.930  1705.13   64.322  109.896   2.0579  111.567   2.1054 -1.671158 2.944103 
1 1 1    1    7    4 o  145.121   1.3373  2884.05   53.144  2851.48   74.432  2917.92   75.904  144.287   1.8839  145.957   1.8991 -1.670670 2.674974 
1 1 1    1    7    5 o   55.512   0.6938  421.937   10.547  403.569   13.759  448.112   16.425   54.289   0.9255   57.206   1.0485 -2.917042 1.398531 
1 1 1    1    7    6 o  353.029   3.1801 17076.51  307.428 16585.82  486.912 17401.79  396.441  347.717   5.1137  356.292   4.0633 -8.575378 6.531509 
1 1 1    1    7    7 o  203.110   2.1349  5650.01  118.742  5529.86  201.189  5714.23  147.093  200.882   3.6574  204.245   2.6300 -3.363831 4.504820 
1 1 1    1    7    8 o  342.254   3.0846 16047.88  289.090 16035.38  408.728 16060.40  408.942  342.017   4.3641  342.284   4.3630 -0.2667542 6.171019 
1 1 1    1    7    9 o  295.720   2.6704 11979.42  216.242 11951.37  305.054 12007.76  306.576  295.300   3.7724  295.995   3.7824 -0.6950073 5.342063 
1 1 1    1    7   10 o  203.175   1.9852  5653.68  110.447  5667.53  146.415  5635.40  168.243  203.401   2.6287  202.806   3.0295 0.5948792 4.010949 
1 1 1    1    7   11 f  344.351   3.1066 16248.81  292.943 16062.21  409.401 16444.58  419.345  342.230   4.3686  346.273   4.4225 -4.042511 6.216322 
1 1 1    1    7   12 o  165.800   1.6469  3764.89   74.773  3785.75   99.493  3737.82  113.345  166.240   2.1856  165.172   2.5060 1.068893 3.325156 
1 1 1    1    7   13 o  233.542   2.1291  7472.83  136.160  7535.16  194.230  7412.60  190.931  234.432   3.0256  232.520   2.9987 1.911514 4.259829 
1 1 1    1    7   14 o  159.456   1.4932  3483.13   65.199  3490.05   92.459  3476.27   91.953  159.572   2.1159  159.257   2.1085 0.3147125 2.987145 
1 1 1    1    7   15 o  107.630   1.2494  1587.02   36.823  1581.18   63.606  1589.97   45.160  107.368   2.1634  107.714   1.5311 -0.3456268 2.650353 
1 1 1    1    7   16 o   34.324   1.1446  161.421   10.758  168.374   14.445  152.759   16.122   35.046   1.5052   33.327   1.7730 1.719582 2.325738 
1 1 1    1    7   17 o   79.991   0.9252  876.532   20.265  875.011   28.704  878.044   28.615   79.900   1.3119   80.039   1.3056 -0.1387711 1.850836 
1 1 1    1    7   18 o   49.567   0.9779  336.623   13.273  339.903   17.591  332.286   20.226   49.796   1.2900   49.224   1.5005 0.5713196 1.978823 
1 1 1    1    7   19 o   35.212   1.4589  170.072   14.067  163.988   22.007  174.276   18.292   34.449   2.3468   35.574   1.8845 -1.125179 3.009801 
1 1 1    1    7   20 o   98.659   1.0599  1334.26   28.633  1347.78   40.824  1321.16   40.171   99.099   1.5044   98.117   1.4951 0.9819412 2.120984 
1 1 1    1    7   21 o   97.143   1.0730  1293.93   28.542  1285.21   40.241  1302.75   40.489   96.745   1.5190   97.403   1.5180 -0.6580582 2.147470 
1 1 1    1    7   22 o   47.394   1.2062  308.230   15.654  311.454   24.038  305.856   20.628   47.570   1.8454   47.172   1.5969 0.3986473 2.440388 
1 1 1    1    7   23 o   17.606   2.9571   44.226   13.751   56.866   18.204   27.428   20.985   19.895   3.4675   14.136   4.6670 5.758749 5.814114 
1 1 1    1    7   24 o   34.730   1.5000  166.016   14.265  158.575   20.023  173.686   20.329   33.778   2.1763   35.373   2.1083 -1.594563 3.030029 
1 1 1    1    7   25 o   19.808   3.1923   56.844   16.727   67.565   21.878   41.759   25.951   21.383   3.8792   16.618   5.1608 4.765007 6.456115 
1 1 1    1    7   26 o   28.359   1.7407  112.314   13.453  125.184   19.445  100.499   18.631   29.685   2.4129   26.499   2.6010 3.185768 3.547901 
1 1 1    1    7   27 o   21.080   2.2352   64.024   12.706   85.469   17.645   40.930   18.310   24.117   2.7192   15.871   4.1619 8.246847 4.971469 
1 1 1    1    7   28 o   22.004   1.9575   69.692   11.672   40.652   15.546  107.215   17.671   15.798   3.6646   27.002   2.4154 -11.20389 4.388962 
1 1 1    1    8    0 o  255.459   3.2682  8943.99  228.537  8943.99  228.537  8943.99  228.537  255.459   3.2682  255.459   3.2682 0.000000 0.000000 
1 1 1    1    8    1 o  223.156   2.3303  6821.68  142.397  6809.11  174.105  6847.08  247.481  222.922   2.8521  223.459   4.0444 -0.5365448 4.948926 
1 1 1    1    8    2 o   53.294   1.2152  388.930   17.734   0.0000   0.0000  388.930   17.734  ?   ?    53.294   1.2152 0.000000 1.215173 
1 1 1    1    8    3 o  398.960   3.3918 21812.94  370.553 21118.68  481.352 22822.87  580.562  392.426   4.4794  407.840   5.1984 -15.41391 6.862065 
1 1 1    1    8    4 o  266.884   2.2732  9755.89  166.131  9746.45  222.749  9767.73  249.391  266.716   3.0498  266.984   3.4112 -0.2687073 4.575767 
1 1 1    1    8    5 o  413.524   3.9815 23437.44  450.860 23035.24  586.180 24020.04  705.494  409.808   5.2235  418.331   6.1586 -8.523315 8.075490 
1 1 1    1    8    6 o  140.798   2.6126  2715.42  100.730  2715.42  100.730   0.0000   0.0000  140.798   2.6126  ?   ?  0.000000 2.612603 
1 1 1    1    8    7 o  324.705   3.3790 14446.37  300.447 14204.62  511.449 14573.75  371.259  321.744   5.8050  326.071   4.1579 -4.326874 7.140457 
1 1 1    1    8    8 o  136.035   1.2738  2534.03   47.450  2553.61   67.638  2515.06   66.585  136.551   1.8089  135.517   1.7943 1.034119 2.547825 
1 1 1    1    8    9 o  249.818   2.4229  8548.70  165.745  8436.42  216.285  8708.45  257.990  248.131   3.1831  252.063   3.7377 -3.931961 4.909453 
1 1 1    1    8   10 o  312.696   3.0186 13398.11  258.471 13289.76  339.036 13548.49  399.405  311.340   3.9767  314.279   4.6410 -2.939117 6.111679 
1 1 1    1    8   11 o  323.482   3.1216 14341.73  276.512 14390.72  423.768 14305.40  364.896  323.812   4.7791  322.949   4.1262 0.8633728 6.313861 
1 1 1    1    8   12 f   60.441   0.9159  500.230   15.159  518.417   23.765  487.751   19.684   61.525   1.4106   59.680   1.2045 1.845161 1.854859 
1 1 1    1    8   13 o   79.653   0.9761  868.857   21.290  897.069   33.761  850.232   27.432   80.923   1.5235   78.788   1.2715 2.134850 1.984372 
1 1 1    1    8   14 o   62.736   0.9015  539.031   15.487  534.977   20.738  544.142   23.288   62.493   1.2118   63.022   1.3494 -0.5292931 1.813719 
1 1 1    1    8   15 o   84.681   1.0034  982.312   23.268  967.228   35.331  993.865   30.920   84.000   1.5360   85.162   1.3259 -1.161469 2.029090 
1 1 1    1    8   16 o   54.520   0.9320  407.188   13.914  392.475   18.070  428.619   21.808   53.515   1.2331   55.917   1.4243 -2.401421 1.883872 
1 1 1    1    8   17 o   44.406   0.9288  270.144   11.294  280.781   16.224  260.143   15.732   45.259   1.3091   43.564   1.3188 1.695442 1.858194 
1 1 1    1    8   18 o   43.045   1.0656  253.916   12.560  260.604   16.658  245.105   19.121   43.594   1.3954   42.265   1.6521 1.329067 2.162540 
1 1 1    1    8   19 f   62.866   0.9947  541.623   17.124  529.556   26.179  550.646   22.639   62.121   1.5389   63.366   1.3047 -1.244873 2.017567 
1 1 1    1    8   20 o   86.685   1.0029  1030.04   23.807  1042.29   34.073  1018.36   33.278   87.147   1.4278   86.143   1.4107 1.003746 2.007190 
1 1 1    1    8   21 o   24.714   2.0215   84.648   13.561   82.268   19.676   86.800   18.715   24.176   3.0392   24.894   2.7937 -0.7176266 4.128147 
1 1 1    1    8   22 o   39.215   1.2809  211.120   13.755  208.410   19.679  213.708   19.234   38.906   1.8471   39.405   1.7825 -0.4990540 2.566929 
1 1 1    1    8   23 o   23.643   2.1913   77.912   14.026   83.451   18.718   70.819   21.182   24.330   2.8643   22.193   3.6094 2.137114 4.607838 
1 1 1    1    8   24 o   29.544   1.7052  120.839   13.737  102.672   19.417  139.045   19.437   27.003   2.6604   31.571   2.2632 -4.568197 3.492878 
1 1 1    1    8   25 o   17.174   3.6525   44.006   16.649   37.396   21.253   54.504   26.784   15.658   4.6319   18.652   5.0983 -2.993277 6.888254 
1 1 1    1    8   26 o   18.715   2.5112   50.694   12.545   47.600   17.588   53.897   17.899   17.573   3.7680   18.810   3.6062 -1.236498 5.215556 
1 1 1    1    8   27 o   17.798   2.9141   47.877   13.711   31.606   19.070   65.292   19.729   13.760   4.4433   20.326   3.6801 -6.565152 5.769439 
1 1 1    1    8   28 o   8.2334   3.2903   7.3074   11.213   6.8210   15.204   7.8876   16.605   8.8867   3.7211   9.2741   3.8864 -0.3873835 5.380601 
1 1 1    1    9    0 o   44.940   0.8634  276.833   10.617  276.833   10.617  276.833   10.617   44.940   0.8634   44.940   0.8634 0.000000 0.000000 
1 1 1    1    9    1 f  261.242   2.7223  9348.78  194.745  9256.99  236.116  9544.07  344.407  259.926   3.3173  263.825   4.7672 -3.898926 5.807852 
1 1 1    1    9    2 o  269.638   2.8358  9959.70  209.385  9103.26  268.583 11286.73  334.327  257.731   3.8056  286.947   4.2548 -29.21603 5.708406 
1 1 1    1    9    3 o  147.387   1.4556  2974.67   58.748  3037.93   79.456  2898.37   87.255  148.939   1.9482  145.473   2.1904 3.465759 2.931425 
1 1 1    1    9    4 o  143.143   1.3330  2805.74   52.252  2718.49   71.796  2904.00   76.189  140.892   1.8609  145.619   1.9107 -4.727051 2.667142 
1 1 1    1    9    5 o  301.111   2.4275 12418.75  200.163 12266.06  279.484 12579.53  286.804  299.198   3.4112  302.994   3.4567 -3.795898 4.856448 
1 1 1    1    9    6 o   28.736   0.8992  113.071   7.0758  152.603   11.193   86.753   9.1322   33.383   1.2244   25.135   1.3316 8.248362 1.808905 
1 1 1    1    9    7 o  227.312   2.3823  7077.62  148.290  6968.56  206.699  7193.27  212.865  225.507   3.3473  229.111   3.3929 -3.604355 4.766096 
1 1 1    1    9    8 o  380.017   3.2256 19789.45  335.664 19613.22  498.837 19935.26  453.759  378.125   4.8176  381.284   4.3460 -3.158539 6.488223 
1 1 1    1    9    9 o  201.343   1.9696  5552.42  108.591  5538.93  143.235  5570.66  166.527  201.073   2.6014  201.627   3.0161 -0.5541382 3.982976 
1 1 1    1    9   10 o  275.254   2.4917 10380.38  187.814 10372.99  265.451 10387.78  265.766  275.065   3.5242  275.261   3.5259 -0.1959534 4.985134 
1 1 1    1    9   11 o   41.759   1.0016  238.795   11.453  220.504   15.756  259.285   16.677   40.125   1.4340   43.511   1.3997 -3.385941 2.003874 
1 1 1    1    9   12 o  173.959   1.7237  4146.01   82.111  4079.89  123.709  4198.08  109.779  172.495   2.6190  175.006   2.2908 -2.510696 3.479469 
1 1 1    1    9   13 o  121.680   1.1808  2028.10   39.346  2036.36   55.872  2019.98   55.418  121.900   1.6738  121.409   1.6669 0.4907227 2.362240 
1 1 1    1    9   14 o  113.958   1.2899  1779.45   40.253  1780.27   57.029  1778.64   56.826  113.940   1.8278  113.889   1.8221 0.5167389E-01 2.580876 
1 1 1    1    9   15 o   57.539   0.8455  453.482   13.321  459.014   19.001  448.134   18.681   57.876   1.1989   57.186   1.1930 0.6898270 1.691287 
1 1 1    1    9   16 o   77.602   0.9014  824.952   19.154  824.809   27.029  825.096   27.146   77.575   1.2724   77.588   1.2777 -0.1311493E-01 1.803194 
1 1 1    1    9   17 o   23.780   1.4460   77.834   9.3718   72.698   13.175   83.095   13.334   22.907   2.1246   24.518   2.0035 -1.610649 2.920239 
1 1 1    1    9   18 o   95.965   1.1846  1262.46   31.128  1260.66   43.846  1264.30   44.200   95.837   1.6707   95.974   1.6818 -0.1367798 2.370624 
1 1 1    1    9   19 o   48.989   1.0507  328.987   14.095  323.845   21.671  332.756   18.556   48.565   1.6296   49.248   1.3760 -0.6837158 2.132807 
1 1 1    1    9   20 o   52.595   1.0085  379.235   14.525  373.043   20.536  385.433   20.546   52.128   1.4386   52.989   1.4159 -0.8608170 2.018556 
1 1 1    1    9   21 o   32.627   1.5193  146.267   13.574  174.471   20.684  124.933   17.989   35.509   2.1371   30.016   2.2040 5.493353 3.070003 
1 1 1    1    9   22 o   41.426   1.2308  235.607   13.962  257.120   19.948  214.947   19.549   43.224   1.6853   39.506   1.8070 3.718559 2.470953 
1 1 1    1    9   23 o   29.871   1.7003  123.370   13.850  131.884   19.660  114.981   19.515   30.754   2.3524   28.666   2.5114 2.087547 3.440996 
1 1 1    1    9   24 o   20.732   2.3381   60.636   13.042   73.656   18.703   48.313   18.197   22.646   3.0972   18.049   3.8017 4.596910 4.903648 
1 1 1    1    9   25 o   12.793   3.6838   24.609   13.605   13.760   18.119   38.633   20.599   11.021   4.2478   15.747   4.5324 -4.725552 6.211828 
1 1 1    1    9   26 o   9.4432   3.6044   10.716   12.963   24.131   20.338   1.5379   16.823   12.664   4.5740   8.7790   3.8008 3.885107 5.947099 
1 1 1    1    9   27 o   12.422   3.4632   24.742   12.222   41.009   18.149   11.242   16.534   15.576   4.1716   9.8695   3.9772 5.706116 5.763678 
1 1 1    1    9   28 o   18.868   2.2826   52.712   11.554   56.742   15.744   48.008   17.010   18.993   3.1367   16.963   3.7605 2.029257 4.896975 
1 1 1    1   10    0 o  468.358   5.9539 30083.57  763.326 30083.57  763.326 30083.57  763.326  468.358   5.9539  468.358   5.9539 0.000000 0.000000 
1 1 1    1   10    1 o  391.473   3.7655 21002.41  403.663 20953.27  615.411 21039.52  534.776  390.771   5.7511  391.681   4.9860 -0.9094238 7.611528 
1 1 1    1   10    2 o  286.741   2.5866 11262.43  203.099 11167.06  284.962 11360.88  289.543  285.461   3.6454  287.926   3.6723 -2.464752 5.174486 
1 1 1    1   10    3 f  183.652   1.9428  4619.18   97.704  4447.91  114.963  5064.62  185.405  180.205   2.3297  192.245   3.5219 -12.04068 4.222705 
1 1 1    1   10    4 o   73.552   0.9396  740.761   18.925  694.893   25.382  798.182   28.400   71.236   1.3012   76.347   1.3584 -5.110542 1.881045 
1 1 1    1   10    5 o  199.773   1.9469  5465.85  106.505  5347.59  137.759  5641.58  167.924  197.580   2.5462  202.918   3.0221 -5.338089 3.951673 
1 1 1    1   10    6 o   94.381   1.0824  1219.74   27.975  1184.36   47.043  1239.10   34.796   92.994   1.8474   95.124   1.3358 -2.130959 2.279725 
1 1 1    1   10    7 o  156.514   1.5507  3354.72   66.463  3321.72  100.648  3380.24   88.504  155.721   2.3603  157.096   2.0573 -1.374649 3.131082 
1 1 1    1   10    8 o   76.293   0.8582  797.001   17.930  823.645   25.496  770.932   25.219   77.555   1.2005   75.032   1.2274 2.523010 1.716914 
1 1 1    1   10    9 o  172.281   1.7095  4065.19   80.650  3972.07  103.698  4207.73  128.303  170.277   2.2239  175.233   2.6738 -4.956131 3.477822 
1 1 1    1   10   10 o   92.311   1.0197  1166.92   25.775  1139.44   38.333  1189.58   34.822   91.209   1.5348   93.197   1.3644 -1.988930 2.053608 
1 1 1    1   10   11 o  111.199   1.1728  1693.53   35.711  1712.14   47.581  1669.54   54.040  111.795   1.5543  110.385   1.7878 1.409447 2.368938 
1 1 1    1   10   12 o   54.026   0.9207  399.751   13.621  402.845   19.933  397.040   18.656   54.226   1.3424   53.836   1.2655 0.3903046 1.844838 
1 1 1    1   10   13 o   35.413   0.9874  171.779   9.5749  168.400   13.116  175.635   14.011   35.055   1.3663   35.799   1.4292 -0.7437096 1.977228 
1 1 1    1   10   14 o   95.209   1.0517  1241.92   27.419  1238.56   41.666  1244.48   36.416   95.040   1.6010   95.284   1.3957 -0.2438889 2.123924 
1 1 1    1   10   15 o  112.276   1.1149  1727.32   34.277  1720.39   48.368  1734.33   48.582  112.006   1.5770  112.459   1.5776 -0.4527588 2.230629 
1 1 1    1   10   16 o   44.096   0.9597  266.404   11.589  259.650   17.431  271.754   15.514   43.514   1.4628   44.525   1.2724 -1.011066 1.938779 
1 1 1    1   10   17 o   33.401   1.2923  152.963   11.820  155.611   16.329  150.047   17.132   33.621   1.7799   32.999   1.9040 0.6215630 2.606400 
1 1 1    1   10   18 o   68.183   0.9756  637.145   18.216  630.279   23.954  646.562   28.051   67.790   1.2904   68.641   1.4924 -0.8505020 1.972875 
1 1 1    1   10   19 o   72.813   0.9480  726.684   18.902  726.896   26.733  726.472   26.730   72.784   1.3413   72.762   1.3415 0.2126312E-01 1.897068 
1 1 1    1   10   20 f   45.239   1.1486  280.743   14.229  268.834   19.003  295.937   21.466   44.232   1.5689   46.395   1.6896 -2.162964 2.305720 
1 1 1    1   10   21 o   63.701   1.0033  556.527   17.501  564.626   24.857  548.566   24.645   64.108   1.4160   63.189   1.4243 0.9195671 2.008379 
1 1 1    1   10   22 o   50.346   1.1211  347.941   15.456  353.707   21.790  342.103   21.927   50.698   1.5695   49.854   1.6062 0.8444939 2.245717 
1 1 1    1   10   23 o   44.135   1.3321  268.017   16.099  258.223   25.066  274.894   21.004   43.159   2.1209   44.625   1.7188 -1.466019 2.729948 
1 1 1    1   10   24 o   49.291   1.3042  335.004   17.604  330.250   24.892  339.761   24.900   48.762   1.8642   49.469   1.8381 -0.7070236 2.618010 
1 1 1    1   10   25 o   19.343   2.5388   54.159   13.123   60.455   17.393   45.837   19.996   20.120   3.2690   16.994   4.2948 3.125679 5.397424 
1 1 1    1   10   26 o   36.697   1.3867  187.805   13.935  204.981   21.813  175.962   18.113   37.834   2.1139   35.205   1.8857 2.628983 2.832720 
1 1 1    1   10   27 o   14.224   2.9707   31.568   11.198   58.713   15.670   3.2376   16.008   19.478   3.0370   8.5539   3.7055 10.92364 4.791019 
1 1 1    1   11    0 o  292.699   4.3131 11746.02  345.534 11746.02  345.534 11746.02  345.534  292.699   4.3131  292.699   4.3131 0.000000 0.000000 
1 1 1    1   11    1 o  264.443   2.3886  9578.87  172.966  9565.58  244.340  9592.22  244.883  264.202   3.3773  264.570   3.3801 -0.3673401 4.778193 
1 1 1    1   11    2 o  231.920   2.1000  7366.92  133.370  7338.31  188.051  7395.89  189.180  231.430   2.9673  232.335   2.9735 -0.9058533 4.200826 
1 1 1    1   11    3 o  141.759   1.4101  2751.90   54.738  2737.67   72.298  2771.00   83.789  141.383   1.8674  142.235   2.1513 -0.8515167 2.848709 
1 1 1    1   11    4 o  130.603   1.2351  2335.73   44.171  2223.01   59.859  2470.49   65.449  127.405   1.7157  134.309   1.7795 -6.903435 2.471947 
1 1 1    1   11    5 o   58.201   0.8275  463.810   13.188  482.816   16.600  431.288   21.715   59.380   1.0209   56.120   1.4130 3.260418 1.743223 
1 1 1    1   11    6 o  223.853   2.1779  6864.29  133.504  7109.36  211.076  6700.87  172.359  227.736   3.3847  221.134   2.8463 6.601593 4.422418 
1 1 1    1   11    7 o  203.116   1.7535  5650.64   97.528  5615.76  145.023  5679.44  131.778  202.447   2.6160  203.605   2.3635 -1.158676 3.525587 
1 1 1    1   11    8 o  143.953   1.2781  2837.94   50.381  2836.66   75.086  2838.98   67.948  143.900   1.9055  143.966   1.7236 -0.6550598E-01 2.569350 
1 1 1    1   11    9 o   78.867   1.1101  851.832   23.974  881.851   38.339  832.558   30.720   80.231   1.7451   77.964   1.4389 2.267349 2.261809 
1 1 1    1   11   10 f   91.626   0.9663  1149.75   24.246  1117.08   37.368  1173.51   31.863   90.299   1.5112   92.560   1.2571 -2.261360 1.965739 
1 1 1    1   11   11 o   61.622   0.8368  520.053   14.120  533.373   19.273  504.618   20.746   62.400   1.1279   60.691   1.2483 1.708508 1.682411 
1 1 1    1   11   12 o   48.834   0.8031  326.619   10.739  332.543   15.385  320.988   14.998   49.267   1.1404   48.404   1.1316 0.8633003 1.606507 
1 1 1    1   11   13 o   67.159   0.8743  617.827   16.078  617.766   21.603  617.903   24.074   67.144   1.1749   67.145   1.3093 -0.9155273E-03 1.759207 
1 1 1    1   11   14 o   64.231   0.8860  565.154   15.584  569.212   20.874  560.044   23.423   64.449   1.1828   63.920   1.3382 0.5291252 1.785990 
1 1 1    1   11   15 o   30.849   1.0811  130.408   9.1330  129.900   13.042  130.897   12.794   30.736   1.5546   30.894   1.5123 -0.1584644 2.168814 
1 1 1    1   11   16 o   88.988   1.0483  1085.22   25.546  1100.20   39.849  1074.76   33.286   89.543   1.6251   88.529   1.3731 1.013794 2.127530 
1 1 1    1   11   17 o   38.926   1.2678  207.792   13.514  191.963   17.124  233.926   22.003   37.392   1.6723   41.257   1.9476 -3.864872 2.567062 
1 1 1    1   11   18 o   61.639   0.9745  520.791   16.449  522.703   22.014  518.374   24.753   61.725   1.3024   61.452   1.4709 0.2730331 1.964649 
1 1 1    1   11   19 o   37.365   1.3035  191.604   13.337  196.412   17.368  184.693   20.822   37.802   1.6778   36.559   2.0885 1.242458 2.678963 
1 1 1    1   11   20 f   28.716   1.8628  114.010   14.570  126.685   23.689  106.299   18.478   30.077   2.9127   27.621   2.4690 2.456820 3.818335 
1 1 1    1   11   21 o   35.265   1.3499  170.874   13.035  163.600   18.352  178.281   18.519   34.386   1.9571   35.913   1.8898 -1.526806 2.720570 
1 1 1    1   11   22 o   20.554   2.3269   59.342   12.866   72.688   18.148   45.856   18.243   22.603   3.0067   17.651   3.8801 4.951870 4.908715 
1 1 1    1   11   23 o   55.489   1.2394  423.893   18.832  457.781   33.504  408.241   22.770   57.356   2.1331   54.377   1.5292 2.979420 2.624626 
1 1 1    1   11   24 o   33.985   1.6665  160.547   15.509  167.697   19.081  146.629   26.622   34.555   2.0253   31.772   3.0993 2.783030 3.702377 
1 1 1    1   11   25 o   29.089   1.5481  118.479   12.287  116.196   17.190  120.864   17.570   28.477   2.2220   29.044   2.2261 -0.5668163 3.145279 
1 1 1    1   11   26 o   17.171   3.1073   45.686   14.073   43.859   22.701   46.826   17.935   15.626   4.8226   16.804   3.9621 -1.177965 6.241442 
1 1 1    1   11   27 o   17.030   2.4861   43.632   11.252   49.095   15.902   38.154   15.923   17.403   3.4588   15.001   3.8553 2.401999 5.179499 
1 1 1    1   12    0 o  201.376   2.5961  5556.92  143.105  5556.92  143.105  5556.92  143.105  201.376   2.5961  201.376   2.5961 0.000000 0.000000 
1 1 1    1   12    1 o   87.696   0.9518  1053.06   22.856  1043.83   30.041  1065.75   35.220   87.308   1.2565   88.217   1.4580 -0.9092789 1.924707 
1 1 1    1   12    2 o  314.128   2.5358 13519.42  218.131 13342.21  304.289 13706.75  312.859  311.963   3.5620  316.190   3.6134 -4.226990 5.073870 
1 1 1    1   12    3 o   68.394   0.9076  640.513   16.999  665.576   24.010  615.328   24.069   69.716   1.2577   67.032   1.3113 2.683762 1.816921 
1 1 1    1   12    4 o  142.065   1.4223  2763.94   55.331  2763.98   73.606  2763.90   83.900  142.054   1.8922  142.043   2.1570 0.1023865E-01 2.869362 
1 1 1    1   12    5 o   48.131   1.1166  317.234   14.716  314.340   22.938  319.259   19.185   47.905   1.7486   48.282   1.4511 -0.3762970 2.272262 
1 1 1    1   12    6 o  172.160   1.6970  4059.90   80.004  4129.87  107.561  3973.26  119.694  173.607   2.2626  170.264   2.5672 3.342758 3.421939 
1 1 1    1   12    7 o   82.536   0.8369  932.829   18.915  969.298   29.444  907.204   24.682   84.126   1.2782   81.390   1.1074 2.736038 1.691174 
1 1 1    1   12    8 o  212.061   1.7339  6161.80  100.689  6106.94  141.054  6218.79  143.776  211.038   2.4408  212.959   2.4655 -1.920731 3.469324 
1 1 1    1   12    9 o   70.564   0.7905  681.891   15.274  664.922   22.361  696.734   20.913   69.672   1.1721   71.322   1.0708 -1.649826 1.587564 
1 1 1    1   12   10 o   22.299   1.3339   68.379   8.1081   65.013   9.5531   77.049   15.333   21.719   1.6179   23.571   2.4094 -1.852295 2.902184 
1 1 1    1   12   11 o   30.602   0.9782  128.284   8.1971  125.268   10.708  132.552   12.740   30.234   1.2934   31.096   1.4962 -0.8617897 1.977699 
1 1 1    1   12   12 o   13.422   1.9444   25.234   6.9384   29.517   9.7634   20.864   9.8621   14.441   2.5627   12.076   2.9966 2.365911 3.943031 
1 1 1    1   12   13 o   63.779   0.9305  557.252   16.251  539.007   27.212  567.367   20.261   62.692   1.5851   64.345   1.1499 -1.652924 1.958246 
1 1 1    1   12   14 o   36.599   0.9309  183.520   9.3293  195.551   13.558  172.700   12.857   37.768   1.3109   35.493   1.3229 2.275642 1.862382 
1 1 1    1   12   15 o   67.829   0.9110  630.364   16.920  639.277   25.931  623.755   22.329   68.276   1.3870   67.455   1.2088 0.8209534 1.839811 
1 1 1    1   12   16 o   48.584   0.9895  323.498   13.165  343.994   21.591  311.368   16.609   50.063   1.5749   47.650   1.2729 2.413074 2.025044 
1 1 1    1   12   17 o   69.123   1.1491  655.199   21.751  659.658   27.594  647.883   35.345   69.326   1.4536   68.648   1.8802 0.6782532 2.376577 
1 1 1    1   12   18 o   34.340   1.2342  161.795   11.606  163.829   16.478  159.792   16.349   34.476   1.7512   34.046   1.7596 0.4296722 2.482490 
1 1 1    1   12   19 o   36.933   1.3188  187.278   13.338  185.270   17.365  190.166   20.828   36.699   1.7280   37.088   2.0589 -0.3891411 2.687927 
1 1 1    1   12   20 o   29.603   1.8746  121.241   15.117  120.110   23.445  122.047   19.778   29.237   2.9696   29.591   2.4631 -0.3540783 3.858188 
1 1 1    1   12   21 o   57.600   1.1218  455.586   17.694  480.062   23.736  424.977   26.544   59.066   1.4675   55.517   1.7460 3.549263 2.280838 
1 1 1    1   12   22 o   54.170   1.0628  403.239   15.765  432.069   22.509  375.477   22.088   55.980   1.4683   52.166   1.5463 3.814461 2.132363 
1 1 1    1   12   23 o   29.303   1.8889  120.036   15.076  103.008   26.901  127.832   18.203   26.298   3.8496   30.127   2.2222 -3.828491 4.444917 
1 1 1    1   12   24 o   41.923   1.3544  243.865   15.548  259.639   19.494  216.286   25.777   43.119   1.6510   38.845   2.4356 4.274067 2.942460 
1 1 1    1   12   25 o   9.6532   3.4200   13.396   11.315   11.071   15.847   15.815   16.162   9.7970   3.9127   10.644   4.0336 -0.8472576 5.619567 
1 1 1    1   12   26 o   17.588   2.5349   46.489   11.856   55.716   17.318   38.349   16.266   18.564   3.5359   15.061   3.9096 3.502440 5.271416 
1 1 1    1   13    0 o   49.764   1.2894  339.795   17.544  339.795   17.544  339.795   17.544   49.764   1.2894   49.764   1.2894 0.000000 0.000000 
1 1 1    1   13    1 o  232.869   2.2638  7430.65  144.358  7153.20  183.613  7879.72  233.601  228.419   2.9355  239.663   3.5595 -11.24429 4.613782 
1 1 1    1   13    2 o  250.961   2.2739  8630.45  156.265  8463.96  193.815  8939.70  264.156  248.469   2.8486  255.230   3.7795 -6.760757 4.732784 
1 1 1    1   13    3 o  113.134   1.3777  1753.06   42.683  1714.22   53.583  1820.48   70.604  111.863   1.7492  115.258   2.2370 -3.395035 2.839736 
1 1 1    1   13    4 o  215.573   2.1096  6368.45  124.532  6103.67  157.888  6804.33  202.578  210.981   2.7329  222.682   3.3221 -11.70152 4.301752 
1 1 1    1   13    5 o  102.105   1.1805  1427.90   33.007  1411.41   46.952  1444.00   46.411  101.497   1.6893  102.664   1.6509 -1.166565 2.362015 
1 1 1    1   13    6 o   68.789   1.0298  648.075   19.398  660.234   24.670  628.382   31.396   69.425   1.2977   67.719   1.6931 1.706459 2.133199 
1 1 1    1   13    7 o   43.414   0.8488  258.123   10.090  253.091   14.209  263.242   14.332   42.983   1.2072   43.837   1.1939 -0.8537598 1.697838 
1 1 1    1   13    8 o   65.022   0.7068  578.985   12.585  577.972   17.729  580.013   17.868   64.958   0.9967   65.072   1.0027 -0.1144104 1.413833 
1 1 1    1   13    9 o  195.303   1.6968  5230.24   90.745  5137.84  133.581  5309.41  123.657  193.397   2.5224  196.654   2.2963 -3.257706 3.411041 
1 1 1    1   13   10 o   62.937   0.8886  542.582   15.314  572.594   19.422  493.255   24.899   64.646   1.0971   59.981   1.5159 4.664738 1.871294 
1 1 1    1   13   11 o   55.916   0.8109  428.256   12.417  446.038   16.860  407.179   18.355   57.056   1.0791   54.508   1.2297 2.547874 1.636065 
1 1 1    1   13   12 o   52.949   0.7908  384.020   11.466  377.214   15.613  391.989   16.894   52.468   1.0867   53.483   1.1535 -1.014961 1.584757 
1 1 1    1   13   13 o   44.561   0.9238  272.051   11.273  292.334   19.889  262.451   13.683   46.164   1.5733   43.760   1.1419 2.403759 1.944023 
1 1 1    1   13   14 f   7.8503   2.8147   7.1721   7.6864   11.870   11.031   2.7390   10.716   9.7635   3.3828   7.7275   3.1690 2.035982 4.635291 
1 1 1    1   13   15 o   42.874   0.8997  251.884   10.563  255.361   15.116  248.566   14.768   43.151   1.2792   42.574   1.2667 0.5772972 1.800286 
1 1 1    1   13   16 o   62.536   1.0180  536.099   17.433  554.062   31.284  528.008   20.996   63.492   1.7993   62.044   1.2358 1.448467 2.182838 
1 1 1    1   13   17 o   29.608   1.3781  120.336   11.173  119.236   14.933  121.734   16.842   29.383   1.8656   29.659   2.0870 -0.2757511 2.799290 
1 1 1    1   13   18 o   58.766   0.9468  473.509   15.236  494.827   22.129  454.294   21.010   60.031   1.3461   57.522   1.3338 2.509727 1.895024 
1 1 1    1   13   19 o   13.262   3.3381   25.511   12.114   29.893   15.462   18.546   19.494   14.338   3.8548   12.386   4.4774 1.952372 5.908193 
1 1 1    1   13   20 o   26.118   1.8134   94.529   12.889   68.944   19.691  113.710   17.049   21.924   3.3892   28.584   2.1950 -6.659575 4.037873 
1 1 1    1   13   21 o   24.041   1.9080   80.485   12.457   84.325   18.921   77.546   16.551   24.354   2.8937   23.420   2.6260 0.9346466 3.907663 
1 1 1    1   13   22 o   30.783   1.5499  131.415   13.023  137.719   19.625  126.456   17.407   31.276   2.3078   30.024   2.1310 1.251307 3.141247 
1 1 1    1   13   23 o   33.009   1.7962  152.779   16.175  174.346   26.233  139.551   20.546   34.714   2.7830   31.245   2.4202 3.469540 3.688173 
1 1 1    1   13   24 o   8.2033   3.2926   6.3704   11.283   3.5255   15.791   9.3376   16.127   8.7230   3.7280   9.6307   3.9114 -0.9076433 5.403397 
1 1 1    1   13   25 o   11.422   3.4346   20.956   11.615   15.012   15.306   29.024   17.835   10.279   3.9182   13.024   4.3026 -2.744520 5.819306 
1 1 1    1   14    0 o   48.227   1.1065  319.013   14.596  319.013   14.596  319.013   14.596   48.227   1.1065   48.227   1.1065 0.000000 0.000000 
1 1 1    1   14    1 o  143.778   1.4313  2832.08   56.351  2724.04   82.446  2926.80   77.199  140.958   2.1359  146.127   1.9293 -5.169601 2.878238 
1 1 1    1   14    2 o   99.050   0.9809  1343.67   26.605  1363.09   34.076  1313.36   42.579   99.754   1.2475   97.903   1.5882 1.850914 2.019565 
1 1 1    1   14    3 o  253.025   2.4550  8783.25  170.098  8843.21  202.900  8641.46  312.018  253.783   2.9196  250.366   4.5511 3.416306 5.407099 
1 1 1    1   14    4 o  124.990   1.3904  2140.54   47.588  2098.79   57.463  2231.67   84.904  123.744   1.6958  127.530   2.4312 -3.785583 2.964228 
1 1 1    1   14    5 o   80.787   1.0712  894.031   23.697  858.691   35.465  922.533   31.850   79.149   1.6363   82.050   1.4176 -2.900993 2.164954 
1 1 1    1   14    6 o   26.745   0.8590   97.974   6.2910   96.171   7.6693  101.682   10.999   26.496   1.0570   27.197   1.4825 -0.7012768 1.820746 
1 1 1    1   14    7 o   46.069   0.7766  290.682   9.7972  283.022   13.021  300.678   14.874   45.452   1.0462   46.845   1.1595 -1.393131 1.561712 
1 1 1    1   14    8 o   81.488   0.8652  909.564   19.306  913.624   30.416  906.825   24.984   81.643   1.3605   81.353   1.1215 0.2902298 1.763158 
1 1 1    1   14    9 o  126.508   1.0915  2192.87   37.812  2193.47   53.306  2192.25   53.645  126.479   1.5391  126.443   1.5493 0.3642273E-01 2.183844 
1 1 1    1   14   10 o   56.608   0.7864  438.927   12.191  455.361   16.118  416.962   18.634   57.650   1.0210   55.157   1.2337 2.492920 1.601427 
1 1 1    1   14   11 o   54.342   0.7954  404.510   11.836  383.877   15.154  436.791   18.954   52.929   1.0455   56.451   1.2262 -3.521748 1.611395 
1 1 1    1   14   12 o   56.345   0.8116  434.915   12.523  429.433   18.639  439.425   16.908   55.971   1.2161   56.625   1.0904 -0.6539879 1.633363 
1 1 1    1   14   13 o   30.926   0.9773  131.063   8.2760  141.435   11.902  121.354   11.515   32.113   1.3535   29.744   1.4138 2.369316 1.957233 
1 1 1    1   14   14 o   24.796   1.2204   84.316   8.2866   79.469   11.865   88.932   11.578   23.981   1.8203   25.393   1.6745 -1.412022 2.473367 
1 1 1    1   14   15 f   23.124   1.3978   73.653   8.8098   75.668   12.884   71.884   12.073   23.363   2.0342   22.778   1.9545 0.5848675 2.820992 
1 1 1    1   14   16 o   41.638   1.1605  237.823   13.232  221.604   23.952  244.948   15.874   40.039   2.1929   42.242   1.3723 -2.202839 2.586904 
1 1 1    1   14   17 o   22.896   1.6328   72.438   10.170   58.890   14.303   86.293   14.464   20.469   2.6113   24.925   2.1399 -4.456001 3.376085 
1 1 1    1   14   18 o   47.506   1.0893  309.667   14.171  299.180   18.187  325.875   22.610   46.659   1.4234   48.659   1.6969 -1.999439 2.214819 
1 1 1    1   14   19 o   22.358   2.0781   69.675   12.578   72.618   17.217   66.307   18.419   22.662   2.8366   21.540   3.2216 1.122038 4.292419 
1 1 1    1   14   20 o   48.767   1.0298  326.639   13.752  332.404   19.699  321.159   19.206   49.118   1.4646   48.282   1.4527 0.8355751 2.062804 
1 1 1    1   14   21 o   20.366   2.0118   58.277   11.073   55.908   15.863   60.527   15.464   19.626   3.0506   20.514   2.8280 -0.8877106 4.159752 
1 1 1    1   14   22 o   28.350   1.4965  111.854   11.576  101.836   16.481  121.609   16.264   26.765   2.2700   29.367   2.0350 -2.601233 3.048645 
1 1 1    1   14   23 o   24.371   1.7224   83.835   11.420   96.355   15.972   70.738   16.336   25.854   2.2794   21.848   2.7946 4.006138 3.606291 
1 1 1    1   14   24 o   16.148   2.5314   39.024   10.826   26.480   15.034   52.535   15.602   12.649   3.9280   18.342   3.2238 -5.693861 5.081555 
1 1 1    1   15    0 o   28.151   1.4354  109.404   11.000  109.404   11.000  109.404   11.000   28.151   1.4354   28.151   1.4354 0.000000 0.000000 
1 1 1    1   15    1 o   36.523   0.7547  182.695   7.5485  168.804   11.492  193.236   10.011   35.100   1.1957   37.559   0.9734 -2.458908 1.541764 
1 1 1    1   15    2 o   29.976   0.6924  123.061   5.6837  128.960   7.3891  114.513   8.8947   30.684   0.8794   28.910   1.1235 1.773491 1.426784 
1 1 1    1   15    4 o   63.747   0.8568  556.625   14.957  544.564   20.344  570.811   22.064   63.041   1.1785   64.539   1.2485 -1.498215 1.716833 
1 1 1    1   15    5 o   81.514   0.9646  910.257   21.531  879.328   28.708  950.024   32.553   80.099   1.3088   83.248   1.4280 -3.149628 1.937060 
1 1 1    1   15    6 o   40.956   0.8369  229.767   9.3863  217.424   12.732  244.461   13.892   39.833   1.1673   42.236   1.2011 -2.403118 1.674874 
1 1 1    1   15    7 o   60.652   0.7679  503.856   12.754  514.901   17.494  491.327   18.633   61.303   1.0421   59.879   1.1364 1.423660 1.541879 
1 1 1    1   15    8 o  107.939   1.1486  1596.61   33.950  1565.84   50.214  1622.51   46.079  106.836   1.7164  108.772   1.5470 -1.936226 2.310685 
1 1 1    1   15    9 o   67.892   0.7892  631.379   14.672  629.321   18.996  634.423   23.101   67.771   1.0236   68.033   1.2400 -0.2620850 1.607909 
1 1 1    1   15   10 o  135.639   1.1691  2521.71   43.423  2513.46   61.061  2530.15   61.765  135.345   1.6475  135.792   1.6610 -0.4461365 2.339520 
1 1 1    1   15   11 o   45.991   1.1855  289.961   14.931  313.665   17.922  236.201   26.991   47.824   1.3685   41.362   2.3932 6.461571 2.756900 
1 1 1    1   15   12 o   76.674   0.8834  805.551   18.548  803.180   27.470  807.538   25.145   76.525   1.3109   76.744   1.1965 -0.2182770 1.774818 
1 1 1    1   15   13 o   30.642   0.9880  128.699   8.2903  151.025   12.201  109.551   11.299   33.178   1.3429   28.214   1.4675 4.963972 1.989275 
1 1 1    1   15   14 o   33.121   1.0821  150.426   9.8144  145.921   15.644  153.351   12.603   32.534   1.7625   33.426   1.3769 -0.8919907 2.236566 
1 1 1    1   15   15 o   60.908   0.8815  508.513   14.703  502.586   20.765  514.473   20.822   60.518   1.2530   61.230   1.2418 -0.7127724 1.764158 
1 1 1    1   15   16 o   46.366   1.0196  294.845   12.946  301.103   17.672  287.599   19.017   46.823   1.3783   45.746   1.5181 1.077106 2.050486 
1 1 1    1   15   17 f   27.224   1.3811  102.096   10.262  114.361   14.875   90.958   14.175   28.742   1.9007   25.596   2.0394 3.146351 2.787749 
1 1 1    1   15   18 o   59.469   1.0869  485.512   17.700  482.949   21.636  490.700   30.781   59.272   1.3330   59.625   1.8852 -0.3539772 2.308867 
1 1 1    1   15   19 o   35.972   1.3161  178.086   12.964  181.511   17.870  174.281   18.836   36.235   1.8010   35.426   1.9492 0.8096809 2.653834 
1 1 1    1   15   20 o   11.594   3.1174   19.804   10.112   17.276   14.238   22.377   14.362   11.233   3.8457   12.372   3.8388 -1.139754 5.433755 
1 1 1    1   15   21 f   7.6964   3.1806   3.3815   10.902   5.6410   16.921   1.7779   14.255   9.4842   3.9445   8.3227   3.5491 1.161535 5.306147 
1 1 1    1   15   22 f   8.1985   3.3516   5.3303   11.940   15.547   16.220  -6.7548   17.641   10.749   4.0485   8.0014   3.6465 2.747684 5.448599 
1 1 1    1   15   23 f   7.4895   3.0878   4.2491   10.241   4.9102   14.341   3.5612   14.629   8.5195   3.5931   8.3839   3.5858 0.1355772 5.076249 
1 1 1    1   15   24 o   15.076   2.8742   35.304   11.433   46.909   17.185   26.091   15.312   16.719   3.8352   12.398   3.9793 4.321563 5.526670 
1 1 1    1   16    0 o   71.528   1.3062  701.584   25.566  701.584   25.566  701.584   25.566   71.528   1.3062   71.528   1.3062 0.000000 0.000000 
1 1 1    1   16    1 o   74.135   0.9401  752.914   19.085  752.010   24.590  754.283   30.268   74.077   1.2122   74.172   1.4902 -0.9453583E-01 1.920999 
1 1 1    1   16    2 o   87.305   0.8513  1044.08   20.353  1019.10   26.840  1077.89   31.220   86.239   1.1366   88.681   1.2856 -2.442253 1.715997 
1 1 1    1   16    3 o   68.425   0.7407  641.271   13.878  647.860   18.995  633.726   20.327   68.765   1.0087   68.007   1.0915 0.7580261 1.486226 
1 1 1    1   16    4 o   53.877   0.7981  397.602   11.775  446.584   19.944  371.393   14.589   57.081   1.2759   52.064   1.0233 5.016716 1.635575 
1 1 1    1   16    5 o   31.740   1.0812  138.048   9.3977  181.064   18.653  123.416   10.879   36.273   1.8845   30.005   1.3241 6.267422 2.303120 
1 1 1    1   16    6 o   25.900   0.9339   91.901   6.6233   94.825   8.8563   88.190   9.9769   26.302   1.2296   25.319   1.4450 0.9832230 1.897340 
1 1 1    1   16    7 o   73.305   0.8795  736.170   17.654  748.867   25.710  724.844   24.283   73.910   1.2703   72.719   1.2195 1.191666 1.760904 
1 1 1    1   16    8 o   43.087   0.8116  254.326   9.5762  254.544   12.791  254.048   14.445   43.097   1.0838   43.049   1.2254 0.4780960E-01 1.635933 
1 1 1    1   16    9 o   46.910   0.7723  301.454   9.9204  298.161   12.324  307.515   16.721   46.646   0.9648   47.357   1.2894 -0.7104607 1.610408 
1 1 1    1   16   10 f   43.808   0.7203  262.896   8.6411  266.041   12.356  259.886   12.089   44.057   1.0242   43.545   1.0138 0.5121880 1.441103 
1 1 1    1   16   11 o   54.639   0.9358  409.156   14.002  407.234   16.369  414.398   27.032   54.501   1.0968   54.917   1.7976 -0.4159851 2.105736 
1 1 1    1   16   12 o   37.496   0.8365  192.668   8.5896  189.930   12.334  195.247   11.969   37.212   1.2104   37.732   1.1584 -0.5200424 1.675428 
1 1 1    1   16   13 o   68.062   0.8593  634.895   16.016  643.361   22.929  626.830   22.381   68.478   1.2228   67.595   1.2092 0.8839645 1.719668 
1 1 1    1   16   14 o   52.907   0.9192  383.754   13.318  383.564   21.182  383.878   17.127   52.841   1.4638   52.893   1.1825 -0.5199814E-01 1.881772 
1 1 1    1   16   15 o   25.088   1.3429   86.689   9.1925   96.638   14.044   79.231   12.159   26.410   1.9559   23.912   1.8718 2.497585 2.707233 
1 1 1    1   16   16 o   36.675   1.0531  184.568   10.576  199.127   15.189  170.865   14.735   38.057   1.4575   35.246   1.5267 2.811035 2.110671 
1 1 1    1   16   17 o   44.920   0.9754  276.909   11.999  275.143   17.080  278.630   16.859   44.723   1.3947   45.010   1.3679 -0.2864799 1.953503 
1 1 1    1   16   18 o   60.643   0.9677  505.016   16.069  510.394   21.840  498.668   23.727   60.890   1.3099   60.152   1.4405 0.7375641 1.946968 
1 1 1    1   16   19 f   10.539   3.2320   16.017   10.214   23.510   13.764   6.8312   15.240   12.596   3.7278   9.4296   3.8118 3.166747 5.331685 
1 1 1    1   16   20 o   24.747   1.5357   85.381   10.355   79.659   14.381   91.543   14.923   23.658   2.2468   25.407   2.1656 -1.749559 3.120509 
1 1 1    1   16   21 o   13.215   3.3143   27.117   11.972   8.1000   22.785   34.371   14.071   10.594   4.5016   14.809   3.5215 -4.214578 5.715370 
1 1 1    1   16   22 o   7.1396   3.1123   0.2504   11.439   1.2079   16.035  -0.7416   16.322   8.3738   3.6667   8.2015   3.6406 0.1722336 5.167046 
1 1 1    1   16   23 o   17.110   2.2652   43.336   10.352   46.852   14.424   39.600   14.867   17.221   3.1756   15.527   3.5710 1.693931 4.778745 
1 1 1    1   17    0 o   62.867   1.2100  542.025   20.814  542.025   20.814  542.025   20.814   62.867   1.2100   62.867   1.2100 0.000000 0.000000 
1 1 1    1   17    1 o   87.239   1.0061  1042.84   24.034  1013.75   31.569  1082.95   37.067   85.988   1.3407   88.857   1.5234 -2.869049 2.029324 
1 1 1    1   17    2 o   29.821   1.0494  121.861   8.5697  130.458   11.053  108.906   13.569   30.848   1.3085   28.114   1.7716 2.733635 2.202416 
1 1 1    1   17    3 o   24.152   0.7784   79.903   5.1478   82.409   6.3612   75.149   8.7627   24.525   0.9472   23.370   1.3753 1.154638 1.669947 
1 1 1    1   17    4 o   24.519   0.9302   82.368   6.2456   86.233   8.6352   78.128   9.0441   25.048   1.2630   23.828   1.3921 1.219734 1.879683 
1 1 1    1   17    5 o   47.264   0.9342  306.091   12.091  315.567   22.998  302.471   14.214   47.946   1.7517   46.977   1.1049 0.9686890 2.071075 
1 1 1    1   17    6 o   86.504   1.0785  1025.63   25.548  1019.62   44.979  1028.50   31.041   86.154   1.9065   86.604   1.3089 -0.4496002 2.312610 
1 1 1    1   17    7 o   91.426   1.1060  1145.81   27.689  1119.47   46.092  1160.68   34.635   90.271   1.8646   91.988   1.3750 -1.717041 2.316767 
1 1 1    1   17    8 o   31.462   0.9411  135.656   8.1080  131.594   9.6874  145.157   14.815   30.981   1.1419   32.470   1.6719 -1.489347 2.024656 
1 1 1    1   17    9 o   62.788   0.8594  540.231   14.776  540.432   20.009  539.990   21.912   62.778   1.1640   62.742   1.2753 0.3541565E-01 1.726646 
1 1 1    1   17   10 o   48.769   0.8565  325.937   11.438  331.597   13.961  314.384   19.946   49.180   1.0367   47.850   1.5223 1.330147 1.841736 
1 1 1    1   17   11 o   84.501   0.9818  978.927   22.718  976.803   31.076  981.364   33.294   84.361   1.3452   84.543   1.4381 -0.1819534 1.969237 
1 1 1    1   17   12 o   20.790   1.4902   59.682   8.4278   47.605   10.079   87.751   15.366   18.481   2.0248   25.120   2.2579 -6.639479 3.032821 
1 1 1    1   17   13 o   62.710   0.8403  539.072   14.429  529.810   20.457  548.243   20.355   62.131   1.2024   63.206   1.1761 -1.074867 1.681918 
1 1 1    1   17   14 o   66.688   0.8808  609.780   16.085  613.776   23.018  605.966   22.486   66.856   1.2573   66.433   1.2361 0.4234772 1.763134 
1 1 1    1   17   15 o   26.022   1.2631   93.030   9.0009   97.733   12.527   88.011   12.942   26.577   1.7307   25.188   1.8901 1.388706 2.562789 
1 1 1    1   17   16 o   64.307   0.9019  567.425   15.882  541.782   21.782  596.532   23.206   62.771   1.2672   65.862   1.2867 -3.091080 1.805907 
1 1 1    1   17   17 o   19.014   2.0253   50.752   10.383   75.185   16.085   33.303   13.594   23.028   2.5961   15.019   3.3861 8.008845 4.266831 
1 1 1    1   17   18 o   37.245   1.2432  191.323   12.680  197.765   22.139  188.178   15.468   37.533   2.1632   36.868   1.5321 0.6647720 2.650833 
1 1 1    1   17   19 o   9.6091   3.3217   12.722   10.633   9.8399   15.264   15.439   14.821   9.7709   3.8597   10.728   3.9001 -0.9574280 5.487083 
1 1 1    1   17   20 o   6.1214   2.7414  -2.9446   9.4718 -10.2810   13.380   4.4262   13.411   6.5054   3.0384   8.3643   3.4980 -1.858919 4.633338 
1 1 1    1   17   21 o   9.2397   3.1388   12.605   9.4846   21.211   14.726   6.5043   12.399   11.524   3.9111   8.3781   3.4192 3.145825 5.194927 
1 1 1    1   17   22 o   7.0003   2.9028   3.5081   9.1251   1.8327   13.323   4.9885   12.524   7.7614   3.3713   8.0614   3.3765 -0.3000164 4.771436 
1 1 1    1   18    0 o   20.861   2.2228   61.724   12.335   61.724   12.335   61.724   12.335   20.861   2.2228   20.861   2.2228 0.000000 0.000000 
1 1 1    1   18    1 o   30.245   0.7382  125.315   6.1141  123.661   8.0636  127.552   9.3777   30.039   0.9803   30.503   1.1227 -0.4643631 1.490441 
1 1 1    1   18    2 o  129.149   1.1258  2286.58   39.816  2303.85   56.761  2269.85   55.866  129.553   1.6000  128.596   1.5865 0.9568939 2.253191 
1 1 1    1   18    3 o   53.404   0.7243  390.697   10.592  381.930   13.890  402.877   16.372   52.791   0.9609   54.211   1.1029 -1.420200 1.462758 
1 1 1    1   18    4 o   40.893   0.9849  229.195   11.029  217.157   22.690  232.919   12.621   39.678   2.0957   41.218   1.1182 -1.539524 2.375387 
1 1 1    1   18    5 o   55.480   0.9376  421.852   14.245  415.126   26.206  424.673   16.971   54.971   1.7409   55.655   1.1135 -0.6831894 2.066556 
1 1 1    1   18    6 o   43.544   1.1050  259.976   13.176  272.089   38.232  258.344   14.036   44.208   3.1794   43.403   1.1809 0.8056221 3.391626 
1 1 1    1   18    7 f  101.051   1.4661  1401.78   40.569   0.0000   0.0000  1401.78   40.569  ?   ?   101.051   1.4661 0.000000 1.466115 
1 1 1    1   18    8 o   46.623   1.0024  298.013   12.798  324.417   17.558  268.085   18.693   48.621   1.3188   44.180   1.5451 4.441181 2.031384 
1 1 1    1   18    9 o  126.143   1.2366  2183.37   42.715  2150.42   58.737  2220.36   62.232  125.062   1.7151  127.057   1.7886 -1.994476 2.478080 
1 1 1    1   18   10 o   35.679   1.1010  174.623   10.757  161.020   13.817  195.554   17.139   34.236   1.4738   37.712   1.6597 -3.476173 2.219578 
1 1 1    1   18   11 o   15.713   1.9528   34.533   8.2214   35.743   8.9367   27.867   20.972   15.965   2.0947   14.235   4.6640 1.730598 5.112732 
1 1 1    1   18   12 o   13.787   2.1099   26.827   7.7124   26.325   9.1013   28.105   14.525   13.573   2.5422   13.912   3.7345 -0.3395452 4.517615 
1 1 1    1   18   13 o   28.341   0.9756  110.193   7.5715  113.484   10.848  107.068   10.572   28.733   1.3788   27.909   1.3834 0.8244781 1.953119 
1 1 1    1   18   14 o   40.523   0.9313  225.314   10.335  210.930   15.118  237.932   14.160   39.154   1.4100   41.608   1.2428 -2.453289 1.879525 
1 1 1    1   18   15 o   34.557   1.1200  164.142   10.599  168.268   15.933  160.868   14.195   34.907   1.6668   34.156   1.5176 0.7513046 2.254198 
1 1 1    1   18   16 o   40.478   0.9916  225.225   10.992  213.410   16.772  234.119   14.552   39.289   1.5589   41.214   1.2894 -1.925034 2.023074 
1 1 1    1   18   17 o   7.5033   2.9877   4.6737   9.2140   5.5568   14.183   4.0289   12.120   8.9181   3.6502   8.1612   3.3612 0.7569227 4.962063 
1 1 1    1   18   18 o   12.031   2.5002   21.420   7.9684   14.687   10.970   28.941   11.594   10.090   3.3759   13.801   3.1388 -3.710361 4.609663 
1 1 1    1   18   19 o   9.0147   3.1158   11.541   9.3558   13.778   12.510   8.7028   14.093   9.9045   3.5858   9.1652   3.6794 0.7392788 5.137706 
1 1 1    1   18   20 o   15.568   2.2624   35.753   9.3625   37.517   12.921   33.802   13.584   15.466   3.1579   14.479   3.4713 0.9870338 4.692765 
1 1 1    1   18   21 o   6.0189   2.7028  -2.5025   9.2724 -17.1556   12.626   14.650   13.661   5.5709   2.6965   9.9716   3.7233 -4.400751 4.597156 
1 1 1    1   19    0 o   80.901   2.0287  900.099   44.878  900.099   44.878  900.099   44.878   80.901   2.0287   80.901   2.0287 0.000000 0.000000 
1 1 1    1   19    1 o   62.303   0.7895  531.890   13.469  538.857   18.575  524.164   19.561   62.689   1.0821   61.822   1.1555 0.8669739 1.583017 
1 1 1    1   19    2 o   36.906   0.7529  186.620   7.6092  195.441   10.136  175.230   11.518   37.758   0.9803   35.743   1.1767 2.015175 1.531596 
1 1 1    1   19    3 o   53.071   0.7670  385.920   11.146  377.353   14.992  396.508   16.666   52.461   1.0436   53.769   1.1319 -1.308277 1.539556 
1 1 1    1   19    4 o   59.404   0.9730  483.773   15.828  442.984   28.659  501.675   18.986   56.752   1.8441   60.478   1.1464 -3.726498 2.171426 
1 1 1    1   19    5 o   75.127   1.0178  773.894   20.938  809.114   37.604  758.068   25.207   76.703   1.7903   74.330   1.2384 2.372971 2.176918 
1 1 1    1   19    6 o   61.087   1.1148  511.850   18.649  500.260   46.941  514.022   20.321   60.089   2.8528   61.206   1.2125 -1.117325 3.099782 
1 1 1    1   19    7 o   66.746   1.0450  610.996   19.099  593.835   35.200  618.157   22.738   65.663   1.9576   67.113   1.2372 -1.449974 2.315825 
1 1 1    1   19    8 o   22.704   1.7530   71.347   10.814   59.150   24.092   74.424   12.102   20.084   4.4929   23.166   1.9251 -3.082163 4.887955 
1 1 1    1   19    9 o   13.941   2.3074   27.548   8.5006   10.305   10.946   53.745   13.492   9.3323   3.3576   19.536   2.5856 -10.20405 4.237807 
1 1 1    1   19   10 o   9.6251   2.8980   13.004   8.2649   6.2901   10.465   24.136   13.474   8.3199   3.2221   12.936   3.6467 -4.616148 4.866273 
1 1 1    1   19   11 o   14.916   2.8105   31.939   11.058   40.701   12.831   6.6377   21.804   16.870   2.8809   10.970   4.5121 5.900088 5.353346 
1 1 1    1   19   12 o   23.714   1.3623   77.600   8.8091   77.470   9.5714   78.321   22.525   23.677   1.4838   23.285   3.6529 0.3917217 3.942705 
1 1 1    1   19   13 o   20.580   1.4515   58.638   8.1278   64.013   9.8292   47.015   14.454   21.468   1.6856   18.061   3.0298 3.406898 3.467111 
1 1 1    1   19   14 o   19.442   1.2855   52.298   6.8051   57.464   9.8233   47.531   9.4362   20.290   1.7862   18.414   1.8986 1.875443 2.606765 
1 1 1    1   19   15 o   17.071   1.6038   40.742   7.4094   43.196   9.7020   37.306   11.477   17.467   2.0686   16.025   2.7122 1.442286 3.411022 
1 1 1    1   19   16 o   34.773   0.9569  166.529   9.1112  167.045   13.116  166.048   12.666   34.717   1.3797   34.626   1.3358 0.9064865E-01 1.920396 
1 1 1    1   19   17 o   19.264   1.7148   52.450   8.9513   43.192   14.330   58.373   11.463   16.815   3.2295   20.177   2.1057 -3.361818 3.855367 
1 1 1    1   19   18 o   17.772   1.6063   44.749   7.7326   42.206   10.792   47.433   11.085   16.916   2.3967   17.996   2.3022 -1.079395 3.323327 
1 1 1    1   19   19 o   21.282   1.4077   63.774   8.1575   57.571   11.507   70.040   11.566   19.855   2.1507   22.045   1.9356 -2.189409 2.893472 
1 1 1    1   20    1 o   52.484   0.8693  377.595   12.494  364.482   14.931  408.221   22.818   51.550   1.0577   54.503   1.5289 -2.953178 1.859092 
1 1 1    1   20    2 o   38.757   0.9617  205.969   10.206  258.264   16.083  170.711   13.206   43.368   1.3543   35.258   1.3678 8.110180 1.924872 
1 1 1    1   20    3 o   30.789   0.7693  129.919   6.4861  130.114   8.0122  129.550   11.048   30.804   0.9498   30.717   1.3134 0.8724022E-01 1.620896 
1 1 1    1   20    4 o   55.605   1.0005  424.041   15.234  398.209   29.382  433.538   17.815   53.751   1.9962   56.208   1.1575 -2.457279 2.307528 
1 1 1    1   20    5 o   11.080   2.9220   17.665   8.9924   29.067   23.736   15.754   9.7167   14.682   4.9656   10.561   3.1337 4.120891 5.871779 
1 1 1    1   20    6 o   33.350   1.2245  152.693   11.182  114.036   23.950  163.470   12.645   28.447   3.1260   34.497   1.3386 -6.050295 3.400587 
1 1 1    1   20    7 o   43.360   1.2927  258.248   15.349  234.068   26.800  270.052   18.724   41.054   2.3943   44.310   1.5432 -3.256451 2.848497 
1 1 1    1   20    8 o   48.161   1.1139  318.405   14.691  297.252   28.895  325.779   17.060   46.344   2.2769   48.696   1.2794 -2.351532 2.611695 
1 1 1    1   20    9 o   34.026   1.4240  159.266   13.268  166.981   25.988  156.546   15.430   34.510   2.7735   33.704   1.6718 0.8057480 3.238409 
1 1 1    1   20   10 o   23.940   1.4879   79.232   9.7060   84.776   13.278   72.870   14.224   24.678   1.9815   22.797   2.3104 1.880836 3.043772 
1 1 1    1   20   11 o   24.757   1.5046   84.824   10.151   86.768   11.348   77.036   22.712   25.010   1.6666   22.958   3.7415 2.051367 4.095907 
1 1 1    1   20   12 o   17.832   2.1219   44.878   10.158   44.585   11.800   45.715   19.960   17.670   2.5092   17.360   4.2360 0.3099861 4.923418 
1 1 1    1   20   13 o   16.754   1.7051   39.355   7.7136   41.755   9.4804   34.654   13.268   17.174   2.0567   15.258   3.2735 1.916157 3.866031 
1 1 1    1   20   14 o   23.178   1.3741   74.654   8.6822   85.688   10.306   47.682   16.113   24.796   1.5252   17.784   3.4332 7.012241 3.756715 
1 1 1    1   20   15 o   8.6736   2.5389   11.062   6.4153   6.1389   9.1809   15.760   8.9681   7.7342   3.0117   10.245   3.0027 -2.511110 4.252797 
1 1 1    1   20   16 o   8.4404   2.7995   10.241   7.5478   1.7552   11.197   17.307   10.218   7.3562   3.1415   10.607   3.2287 -3.250492 4.504813 
1 1 1    1   20   17 o   15.636   1.7832   35.090   7.4988   37.072   10.697   33.174   10.515   15.709   2.5762   14.782   2.6971 0.9269772 3.729713 
1 1 1    1   20   18 o   12.754   2.4492   24.628   8.2431   19.634   12.691   28.273   10.842   11.023   3.6288   13.382   3.0291 -2.359189 4.726901 
1 1 1    1   21    0 o   70.754   1.1836  686.969   22.917  686.969   22.917  686.969   22.917   70.754   1.1836   70.754   1.1836 0.000000 0.000000 
1 1 1    1   21    1 o   19.561   1.3491   52.828   7.1821   48.947   8.2607   64.847   14.537   18.789   1.6214   21.485   2.5187 -2.695692 2.995453 
1 1 1    1   21    2 o   65.262   0.8505  584.018   15.200  594.848   21.566  573.328   21.426   65.816   1.1966   64.613   1.2110 1.203766 1.702419 
1 1 1    1   21    3 f   33.832   0.9284  156.999   8.6007  162.585   12.784  152.379   11.625   34.393   1.3574   33.303   1.2747 1.089291 1.862110 
1 1 1    1   21    4 o   26.503   1.3616   96.818   9.8481   99.546   23.566   96.241   10.840   26.449   3.3274   26.404   1.5055 0.4541779E-01 3.652100 
1 1 1    1   21    5 o   18.537   1.9750   48.003   9.8711   9.6918   43.177   50.116   10.140   14.745   6.2275   18.944   1.9841 -4.198627 6.535936 
1 1 1    1   21    6 o   28.403   1.3763  110.987   10.704   76.309   24.603  119.085   11.888   22.823   4.0866   29.373   1.4829 -6.549492 4.347351 
1 1 1    1   21    7 o   26.496   3.0720   99.855   21.875  100.225   24.493   98.395   48.634   26.413   3.4704   24.765   6.9095 1.647667 7.732089 
1 1 1    1   21    8 o   22.664   1.7945   71.486   11.046   53.076   23.633   76.632   12.495   18.705   4.6372   23.434   1.9653 -4.729265 5.036444 
1 1 1    1   21    9 o   18.642   2.1482   48.996   10.766   55.567   23.298   47.211   12.140   19.090   4.5257   18.203   2.5015 0.8873177 5.171051 
1 1 1    1   21   10 o   30.003   1.5612  124.874   12.782  159.480   30.436  117.463   14.085   33.162   3.3997   29.039   1.7798 4.122990 3.837416 
1 1 1    1   21   11 o   16.563   2.5240   39.613   11.086   59.226   23.163   33.785   12.626   19.479   4.4411   15.064   3.1616 4.415442 5.451537 
1 1 1    1   21   12 o   27.827   1.2344  107.071   9.4061  107.907   11.109  104.952   17.677   27.844   1.4622   27.085   2.4085 0.7582531 2.817586 
1 1 1    1   21   13 o   20.152   1.5227   56.936   8.3407   59.350   10.964   53.620   12.850   20.413   1.9866   19.177   2.5070 1.236486 3.198712 
1 1 1    1   21   14 o   13.684   2.5498   27.967   9.2031   25.380   12.941   30.613   13.090   12.639   3.5777   13.921   3.4510 -1.281996 4.970874 
1 1 1    1   21   15 o   19.268   1.7005   52.834   8.8803   74.496   10.874   9.4491   15.388   22.879   1.7489   9.4083   3.8209 13.47032 4.202096 
1 1 1    1   21   16 o   21.311   1.4153   64.000   8.2124   72.282   10.461   50.699   13.257   22.510   1.7099   18.262   2.7353 4.248201 3.225816 
1 1 1    1   22    0 o   22.706   1.0969   71.213   6.7840   71.213   6.7840   71.213   6.7840   22.706   1.0969   22.706   1.0969 0.000000 0.000000 
1 1 1    1   22    1 o   8.7223   2.4201   10.925   5.9836   11.720   6.4569   6.0900   15.923   9.0304   2.5170   9.5486   3.8832 -0.5181780 4.627604 
1 1 1    1   22    2 o   23.853   1.6393   78.938   10.643   84.047   11.294   38.435   31.797   24.607   1.6863   16.410   5.7400 8.197432 5.982542 
1 1 1    1   22    3 o   62.954   1.2225  545.354   21.075   0.0000   0.0000  545.354   21.075  ?   ?    62.954   1.2225 0.000000 1.222494 
1 1 1    1   22    4 o   40.272   1.0841  222.982   11.955  238.477   25.761  218.728   13.496   41.293   2.2871   39.861   1.2365 1.432110 2.599945 
1 1 1    1   22    5 o   23.390   1.5562   75.921   9.9104   69.661   24.295   77.170   10.855   21.501   4.2770   23.553   1.6943 -2.052156 4.600325 
1 1 1    1   22    6 o   25.815   1.4587   92.341   10.269   86.906   24.522   93.497   11.309   24.222   3.8241   25.945   1.5995 -1.723520 4.145104 
1 1 1    1   22    7 o   29.221   1.3433  117.908   10.749  122.293   24.762  116.890   11.932   29.058   3.1630   29.025   1.5064 0.3347778E-01 3.503359 
1 1 1    1   22    8 o   35.650   1.2772  175.568   12.468  140.637   24.706  187.505   14.443   31.211   2.9248   36.800   1.4332 -5.589821 3.257101 
1 1 1    1   22    9 o   18.068   2.2901   46.835   11.076   27.588   26.662   50.850   12.177   13.867   5.1969   18.787   2.4234 -4.920545 5.734125 
1 1 1    1   22   10 o   32.328   1.5247  145.577   13.497  112.968   29.099  154.514   15.235   26.911   4.0764   33.205   1.6810 -6.293266 4.409374 
1 1 1    1   22   11 o   34.333   1.3032  163.774   12.252  150.423   25.467  167.795   13.975   31.854   2.9532   34.682   1.4715 -2.828085 3.299455 
1 1 1    1   22   12 o   7.9428   3.2265   5.5239   10.976  -7.8612   38.367   6.7171   11.455   11.173   5.1939   8.2736   3.3187 2.899486 6.163677 
1 1 1    1   22   13 o   7.0484   2.7294   5.4167   7.5080   10.299   8.4897 -12.1094   16.085   8.5148   2.9666   6.9938   3.2872 1.521008 4.427958 
1 1 1    1   22   14 o   4.9108   2.3015  -6.7196   7.7878   5.2582   10.264 -22.9734   11.956   7.6379   3.1133   4.9725   2.4518 2.665453 3.962799 
1 1 1    1   23    0 o   33.700   1.0338  156.387   9.5200  156.387   9.5200  156.387   9.5200   33.700   1.0338   33.700   1.0338 0.000000 0.000000 
1 1 1    1   23    1 o   39.580   0.7938  215.236   8.6037  203.058   11.212  232.679   13.418   38.391   1.0665   41.064   1.1933 -2.672779 1.600435 
1 1 1    1   23    3 o   9.5152   2.9502   13.081   8.4845  -2.4915   18.382   17.297   9.5643   8.7961   3.8859   10.793   3.0828 -1.997322 4.960266 
1 1 1    1   23    4 o   40.010   1.2789  221.417   14.012   0.0000   0.0000  221.417   14.012  ?   ?    40.010   1.2789 0.000000 1.278924 
1 1 1    1   23    5 o   26.077   1.4109   94.622   10.038   65.497   24.894  100.276   10.969   20.151   4.6113   26.819   1.4996 -6.668575 4.848980 
1 1 1    1   23    6 o   27.989   1.3539  108.720   10.377  121.200   25.710  106.291   11.341   28.429   3.3680   27.591   1.5068 0.8379936 3.689699 
1 1 1    1   23    7 o   15.140   2.4175   33.582   9.6854   51.493   24.090   30.129   10.578   17.428   4.8630   14.163   2.8265 3.265538 5.624769 
1 1 1    1   23    8 o   27.693   1.4129  107.181   10.679  148.016   24.162   97.269   11.904   31.652   2.8171   26.274   1.6632 5.377474 3.271418 
1 1 1    1   23    9 o   8.8461   3.3180   10.054   10.873   16.353   26.914   8.8258   11.886   11.837   4.9532   8.7631   3.4227 3.074045 6.020764 
1 1 1    1   23   10 o   7.1574   3.0674   1.5755   10.744  -3.6364   21.667   3.2747   12.372   8.9717   4.0704   7.8432   3.3242 1.128475 5.255291 
1 1 1    1   23   11 o   19.271   1.9537   53.646   10.167   30.698   22.356   59.629   11.416   13.243   4.7937   20.253   2.0884 -7.010205 5.228806 
1 1 1    1   23   12 o   6.3387   2.8958  -4.7595   11.210   14.619   36.656  -6.7588   11.774   12.044   5.3934   6.2761   2.9035 5.767417 6.125267 
1 1 1    1   24    0 f   19.051   1.4096   50.949   7.2609   50.949   7.2609   50.949   7.2609   19.051   1.4096   19.051   1.4096 0.000000 0.000000 
1 1 1    1   24    1 o   14.219   1.3300   28.374   5.1184   30.608   6.2346   23.755   8.9643   14.705   1.5727   12.546   2.6901 2.158912 3.116064 
1 1 1    1   24    2 o   10.040   1.9221   14.718   5.0917   17.158   5.5513   1.7874   12.779   10.854   1.9388   7.7834   3.3408 3.070921 3.862620 
1 1 1    1   24    3 o   30.079   1.1983  125.626   9.8699   81.031   17.337  147.009   12.005   23.337   2.7668   32.477   1.3499 -9.139778 3.078571 
1 1 1    1   24    4 o   21.574   1.6254   65.794   9.5322   0.3934   20.904   82.963   10.710   9.2909   4.1223   24.240   1.6229 -14.94940 4.430250 
1 1 1    1   24    5 o   32.633   1.1694  147.925   10.450  117.997   22.519  156.139   11.797   27.944   2.9892   33.476   1.2869 -5.531395 3.254403 
1 1 1    1   24    6 o   23.292   1.6311   76.826   10.337   64.701   21.544   80.452   11.782   19.713   4.1235   23.739   1.8265 -4.025450 4.509968 
1 1 1    1   24    8 o   18.813   2.0002   51.341   10.146   28.307   21.389   58.030   11.526   12.805   4.6806   19.930   2.1457 -7.124884 5.148945 
1 1 1    1   24    9 o   33.336   1.4458  156.295   13.198  179.363   31.994  151.564   14.488   33.463   3.5455   32.719   1.6170 0.7440948 3.896825 
1 1 1    1   25    0 o   35.162   1.2530  171.590   12.030  171.590   12.030  171.590   12.030   35.162   1.2530   35.162   1.2530 0.000000 0.000000 
1 1 1    1   25    1 o   24.980   0.8573   86.231   5.8643   84.017   7.6239   89.440   9.1773   24.573   1.1330   25.245   1.3323 -0.6713219 1.748889 
1 1 1    1   25    2 o   18.266   1.9248   48.277   9.4827   22.024   14.358   68.590   12.629   11.574   3.8622   21.662   2.1578 -10.08749 4.424077 
1 1 1    1   25    3 o   17.884   1.9066   46.280   9.1932 -32.7300   19.010   70.398   10.503   6.2953   3.1016   22.184   1.7430 -15.88908 3.557814 
1 1 1    1   25    4 o   9.5717   3.0042   14.210   8.7678   21.715   20.079   12.442   9.7461   11.640   4.4756   9.1412   3.1789 2.499259 5.489692 
1 1 1    2    0    0 o  234.986   4.2438  7570.00  272.879  7570.00  272.879  7570.00  272.879  234.986   4.2438  234.986   4.2438 0.000000 0.000000 
1 1 1    2    0    1 o   48.725   0.7994  325.324   10.660  325.324   10.660  325.324   10.660   48.725   0.7994   48.725   0.7994 0.000000 0.000000 
1 1 1    2    0    2 f  346.257   6.2393 16452.61  591.162 16452.61  591.162 16452.61  591.162  346.257   6.2393  346.257   6.2393 0.000000 0.000000 
1 1 1    2    0    3 o  475.158   6.0392 30964.58  785.510 30964.58  785.510 30964.58  785.510  475.158   6.0392  475.158   6.0392 0.000000 0.000000 
1 1 1    2    0    4 o  338.425   4.3075 15699.38  399.044 15699.38  399.044 15699.38  399.044  338.425   4.3075  338.425   4.3075 0.000000 0.000000 
1 1 1    2    0    5 o  100.055   1.5598  1371.83   42.712  1371.83   42.712  1371.83   42.712  100.055   1.5598  100.055   1.5598 0.000000 0.000000 
1 1 1    2    0    6 o  194.195   2.5006  5167.70  132.927  5167.70  132.927  5167.70  132.927  194.195   2.5006  194.195   2.5006 0.000000 0.000000 
1 1 1    2    0    7 o   65.379   1.4385  586.171   25.726  586.171   25.726  586.171   25.726   65.379   1.4385   65.379   1.4385 0.000000 0.000000 
1 1 1    2    0    8 o  251.261   3.2191  8653.82  221.403  8653.82  221.403  8653.82  221.403  251.261   3.2191  251.261   3.2191 0.000000 0.000000 
1 1 1    2    0    9 o   91.065   1.4954  1136.48   37.267  1136.48   37.267  1136.48   37.267   91.065   1.4954   91.065   1.4954 0.000000 0.000000 
1 1 1    2    0   10 o  232.733   2.9918  7422.10  190.597  7422.10  190.597  7422.10  190.597  232.733   2.9918  232.733   2.9918 0.000000 0.000000 
1 1 1    2    0   11 o   95.078   1.3741  1238.57   35.758  1238.57   35.758  1238.57   35.758   95.078   1.3741   95.078   1.3741 0.000000 0.000000 
1 1 1    2    0   12 o   89.066   1.3325  1086.94   32.484  1086.94   32.484  1086.94   32.484   89.066   1.3325   89.066   1.3325 0.000000 0.000000 
1 1 1    2    0   13 o   87.316   1.5509  1044.95   37.056  1044.95   37.056  1044.95   37.056   87.316   1.5509   87.316   1.5509 0.000000 0.000000 
1 1 1    2    0   14 o  214.416   3.2102  6302.23  188.390  6302.23  188.390  6302.23  188.390  214.416   3.2102  214.416   3.2102 0.000000 0.000000 
1 1 1    2    0   15 o   27.421   2.0590  104.714   15.260  104.714   15.260  104.714   15.260   27.421   2.0590   27.421   2.0590 0.000000 0.000000 
1 1 1    2    0   16 o  190.006   2.8731  4951.34  149.411  4951.34  149.411  4951.34  149.411  190.006   2.8731  190.006   2.8731 0.000000 0.000000 
1 1 1    2    0   17 o   42.491   1.5902  248.365   18.444  248.365   18.444  248.365   18.444   42.491   1.5902   42.491   1.5902 0.000000 0.000000 
1 1 1    2    0   18 o  117.569   1.6552  1895.15   53.264  1895.15   53.264  1895.15   53.264  117.569   1.6552  117.569   1.6552 0.000000 0.000000 
1 1 1    2    0   19 o   79.665   1.3206  870.148   28.791  870.148   28.791  870.148   28.791   79.665   1.3206   79.665   1.3206 0.000000 0.000000 
1 1 1    2    0   20 o   62.040   1.2973  528.018   22.017  528.018   22.017  528.018   22.017   62.040   1.2973   62.040   1.2973 0.000000 0.000000 
1 1 1    2    0   21 o   21.809   3.0821   69.180   17.348   69.180   17.348   69.180   17.348   21.809   3.0821   21.809   3.0821 0.000000 0.000000 
1 1 1    2    0   22 o   82.187   1.4327  926.803   32.221  926.803   32.221  926.803   32.221   82.187   1.4327   82.187   1.4327 0.000000 0.000000 
1 1 1    2    0   23 o   33.500   2.4847  156.846   22.505  156.846   22.505  156.846   22.505   33.500   2.4847   33.500   2.4847 0.000000 0.000000 
1 1 1    2    0   24 o   9.5510   5.1159   18.329   18.346   18.329   18.346   18.329   18.346   9.5510   5.1159   9.5510   5.1159 0.000000 0.000000 
1 1 1    2    0   25 o   15.444   5.7241   44.802   22.473   44.802   22.473   44.802   22.473   15.444   5.7241   15.444   5.7241 0.000000 0.000000 
1 1 1    2    0   26 o   33.106   2.2610  153.353   20.278  153.353   20.278  153.353   20.278   33.106   2.2610   33.106   2.2610 0.000000 0.000000 
1 1 1    2    0   27 o   13.904   6.3477   41.695   26.285   41.695   26.285   41.695   26.285   13.904   6.3477   13.904   6.3477 0.000000 0.000000 
1 1 1    2    0   28 o   33.247   2.2333  156.430   20.122  156.430   20.122  156.430   20.122   33.247   2.2333   33.247   2.2333 0.000000 0.000000 
1 1 1    2    0   29 o   14.390   5.4401   42.584   20.096   42.584   20.096   42.584   20.096   14.390   5.4401   14.390   5.4401 0.000000 0.000000 
1 1 1    2    1    0 o   65.289   0.9442  584.014   16.873  584.014   16.873  584.014   16.873   65.289   0.9442   65.289   0.9442 0.000000 0.000000 
1 1 1    2    1    1 f  148.194   1.1084  3007.16   44.979  3021.03   63.937  2993.56   63.287  148.529   1.5720  147.853   1.5631 0.6766205 2.216875 
1 1 1    2    1    2 o  162.096   1.4769  3598.05   65.554  3627.82   93.505  3569.28   91.930  162.753   2.0981  161.435   2.0795 1.318085 2.954035 
1 1 1    2    1    3 o  402.131   3.6139 22159.89  397.950 22454.10  570.422 21880.93  555.450  404.613   5.1483  399.425   5.0783 5.188080 7.231506 
1 1 1    2    1    4 o  100.060   0.9483  1370.91   25.983  1363.18   36.546  1378.80   36.949   99.774   1.3376  100.344   1.3447 -0.5699615 1.896696 
1 1 1    2    1    5 o  419.174   4.7698 24104.64  547.495 24228.73  870.359 24023.39  704.292  419.627   7.5744  418.196   6.1501 1.430908 9.756786 
1 1 1    2    1    6 o  330.658   3.1861 14986.67  288.487 14875.23  378.609 15140.95  445.457  329.290   4.1988  332.101   4.8983 -2.811249 6.451609 
1 1 1    2    1    7 o   73.450   0.7717  738.719   15.522  729.109   21.693  748.799   22.219   72.968   1.0857   73.947   1.0973 -0.9785919 1.543613 
1 1 1    2    1    8 o  124.159   1.1705  2111.00   39.796  2119.38   56.530  2102.76   56.033  124.395   1.6595  123.906   1.6515 0.4886398 2.341232 
1 1 1    2    1    9 o  243.251   2.3586  8105.73  157.106  7979.73  204.536  8287.04  245.358  241.309   3.0953  245.870   3.6442 -4.560822 4.781366 
1 1 1    2    1   10 o  162.993   1.5090  3638.02   67.354  3671.62   96.142  3605.63   94.388  163.731   2.1443  162.253   2.1244 1.477585 3.018465 
1 1 1    2    1   11 o  210.680   1.9233  6078.69  110.959  6070.12  156.729  6087.30  157.110  210.507   2.7189  210.805   2.7217 -0.2976074 3.847060 
1 1 1    2    1   12 o  215.965   1.9713  6387.77  116.582  6368.56  164.408  6407.20  165.339  215.610   2.7846  216.262   2.7919 -0.6528015 3.943229 
1 1 1    2    1   13 o   85.291   0.9996  996.100   23.346  987.257   30.608  1008.40   36.098   84.909   1.3164   85.811   1.5362 -0.9022141 2.023101 
1 1 1    2    1   14 o  152.259   1.5333  3174.89   63.928  3186.56   84.875  3159.60   97.185  152.524   2.0321  151.867   2.3369 0.6569977 3.096898 
1 1 1    2    1   15 o   92.011   0.9977  1159.31   25.138  1155.40   35.489  1163.24   35.612   91.849   1.4110   92.160   1.4111 -0.3113022 1.995534 
1 1 1    2    1   16 o  115.182   1.2314  1817.16   38.839  1863.56   60.650  1784.91   50.569  116.613   1.8993  114.140   1.6179 2.473404 2.494983 
1 1 1    2    1   17 o   96.786   1.0927  1283.20   28.959  1268.08   43.665  1295.06   38.693   96.183   1.6579   97.214   1.4535 -1.030586 2.204798 
1 1 1    2    1   18 o  128.361   1.2513  2257.98   43.983  2284.84   62.863  2232.21   61.561  129.062   1.7787  127.569   1.7622 1.493004 2.503865 
1 1 1    2    1   19 o   83.914   0.9557  964.700   21.960  960.012   30.856  969.510   31.259   83.686   1.3465   84.098   1.3574 -0.4121246 1.911945 
1 1 1    2    1   20 o   60.328   0.9771  498.684   16.142  523.009   21.776  469.016   24.049   61.765   1.2875   58.477   1.5018 3.288528 1.978166 
1 1 1    2    1   21 o   25.438   1.7026   89.238   11.791   94.126   16.005   83.436   17.438   26.059   2.2655   24.464   2.6451 1.594339 3.482652 
1 1 1    2    1   22 o   39.551   1.2683  214.593   13.737  176.447   17.832  270.273   21.544   35.781   1.8260   44.346   1.7741 -8.565010 2.545925 
1 1 1    2    1   23 o   34.770   1.8358  166.796   17.417  172.905   22.460  157.581   27.585   35.321   2.3353   33.570   3.0335 1.751400 3.828299 
1 1 1    2    1   24 o   79.740   1.1303  872.505   24.681  875.253   37.784  870.460   32.596   79.747   1.7302   79.580   1.4958 0.1667328 2.287158 
1 1 1    2    1   25 o   70.250   1.0864  677.467   20.899  676.782   29.646  678.145   29.466   70.121   1.5439   70.195   1.5330 -0.7319641E-01 2.175706 
1 1 1    2    1   26 o   15.401   3.2910   34.801   13.458   25.108   19.088   44.381   18.976   13.350   4.4532   17.219   4.0860 -3.868466 6.043682 
1 1 1    2    1   27 o   24.320   2.6242   84.728   17.200   79.591   36.846   86.159   19.448   21.752   5.9939   24.378   2.9751 -2.625807 6.691659 
1 1 1    2    1   28 o   29.125   1.8296  119.811   14.517  114.826   21.553  123.950   19.641   27.906   2.8608   29.261   2.4744 -1.354918 3.782475 
1 1 1    2    1   29 o   11.899   4.2467   22.898   17.478   36.448   24.557   8.9894   24.880   14.196   5.0374   10.644   4.6151 3.552774 6.831893 
1 1 1    2    2    0 o  463.689   8.3487 29534.36  1059.30 29534.36  1059.30 29534.36  1059.30  463.689   8.3487  463.689   8.3487 0.000000 0.000000 
1 1 1    2    2    1 o  499.452   4.8562 34207.41  664.168 40518.15  1032.77 29756.80  867.303  543.135   6.9439  465.483   6.8042 77.65237 9.721897 
1 1 1    2    2    2 o  219.027   1.7743  6569.66  106.419  6556.82  150.352  6582.56  150.646  218.790   2.5095  219.219   2.5095 -0.4289703 3.549004 
1 1 1    2    2    3 o  442.158   3.5512 26791.51  429.968 26943.81  611.700 26642.78  604.497  443.215   5.0400  440.737   5.0087 2.477997 7.105577 
1 1 1    2    2    4 o  422.004   3.7966 24410.92  438.731 23712.41  694.464 24874.88  565.982  415.552   6.1029  425.843   4.8536 -10.29199 7.797601 
1 1 1    2    2    5 o  173.024   1.8237  4100.25   86.406  4132.91  123.142  4068.57  121.272  173.684   2.5891  172.328   2.5699 1.356384 3.648021 
1 1 1    2    2    6 o   79.957   0.8075  875.402   17.681  872.458   24.886  878.403   25.125   79.819   1.1386   80.091   1.1456 -0.2713852 1.615144 
1 1 1    2    2    7 o  205.244   1.8664  5770.37  104.899  5834.44  150.013  5709.07  146.741  206.331   2.6551  204.104   2.6255 2.226669 3.733980 
1 1 1    2    2    8 o  189.143   1.9945  4900.52  103.304  5002.07  148.996  4806.50  143.356  191.048   2.8480  187.279   2.7954 3.768723 3.990649 
1 1 1    2    2    9 o  172.980   1.7000  4097.84   80.525  4149.04  107.815  4033.25  121.098  174.040   2.2622  171.583   2.5773 2.456802 3.429357 
1 1 1    2    2   10 o  183.608   1.8012  4616.73   90.563  4652.05  139.475  4590.99  119.081  184.282   2.7639  183.081   2.3753 1.201385 3.644314 
1 1 1    2    2   11 o  269.138   2.4374  9921.46  179.634  9833.92  251.727 10012.30  256.421  267.897   3.4314  270.314   3.4641 -2.416901 4.875936 
1 1 1    2    2   12 o  296.837   2.6840 12070.58  218.168 12017.42  307.178 12124.69  309.912  296.104   3.7884  297.421   3.8052 -1.317108 5.369506 
1 1 1    2    2   13 o  184.579   1.9662  4666.21   99.382  4639.46  139.685  4693.62  141.425  184.019   2.7720  185.089   2.7903 -1.070129 3.933195 
1 1 1    2    2   14 o   81.368   0.9389  906.590   20.920  921.241   29.979  892.685   29.206   82.019   1.3348   80.738   1.3210 1.281044 1.877955 
1 1 1    2    2   15 o  111.986   1.1275  1717.42   34.575  1713.27   48.701  1721.63   49.096  111.840   1.5902  112.112   1.5992 -0.2721100 2.255247 
1 1 1    2    2   16 o   85.476   1.1109  1000.66   26.001  997.418   36.743  1003.91   36.800   85.323   1.5726   85.600   1.5699 -0.2773132 2.222113 
1 1 1    2    2   17 o  176.717   1.6454  4280.86   79.622  4289.11  112.828  4272.68  112.379  176.782   2.3307  176.444   2.3259 0.3379364 3.292718 
1 1 1    2    2   18 o   60.884   0.9404  507.803   15.678  505.532   20.707  510.852   24.001   60.736   1.2450   61.045   1.4358 -0.3095131 1.900385 
1 1 1    2    2   19 o   60.791   0.8917  506.252   14.844  497.497   20.753  515.425   21.241   60.247   1.2579   61.323   1.2649 -1.075539 1.783927 
1 1 1    2    2   20 o   53.718   1.0779  395.462   15.856  424.116   22.904  369.092   21.972   55.606   1.5041   51.871   1.5468 3.735073 2.157589 
1 1 1    2    2   21 o   45.129   1.1229  279.200   13.877  277.800   21.228  280.244   18.338   44.979   1.7235   45.193   1.4818 -0.2144127 2.272885 
1 1 1    2    2   22 o   13.075   3.2525   24.628   11.597   22.987   16.136   26.382   16.679   12.907   4.0789   13.673   4.1168 -0.7660828 5.795314 
1 1 1    2    2   23 o   23.785   2.1826   78.648   14.057   76.236   18.464   81.975   21.681   23.265   2.9657   24.042   3.3871 -0.7764263 4.502021 
1 1 1    2    2   24 o   35.148   1.5870  169.895   15.275  163.580   23.161  174.757   20.321   34.293   2.4832   35.528   2.0980 -1.235737 3.250813 
1 1 1    2    2   25 o   22.988   2.4241   74.098   15.029   70.209   22.957   77.015   19.882   21.951   3.9652   23.242   3.2095 -1.291454 5.101312 
1 1 1    2    2   26 o   21.089   2.4256   62.868   13.752   74.053   19.422   51.620   19.476   22.661   3.2204   18.619   3.9427 4.042240 5.090763 
1 1 1    2    2   27 o   35.939   1.5859  179.247   15.607  195.709   24.059  167.286   20.508   37.176   2.3758   34.449   2.1853 2.727196 3.227981 
1 1 1    2    2   28 o   16.499   3.1680   41.526   13.793   49.914   18.540   31.129   20.642   17.683   3.9307   13.816   4.6309 3.867605 6.074114 
1 1 1    2    2   29 o   7.3228   3.2340  -0.6844   12.722  -6.8128   16.532   8.2137   19.920   7.5670   3.4790   9.8738   4.2027 -2.306815 5.455774 
1 1 1    2    3    0 o  299.437   3.1130 12284.42  255.195 12284.42  255.195 12284.42  255.195  299.437   3.1130  299.437   3.1130 0.000000 0.000000 
1 1 1    2    3    1 o  127.676   1.5050  2232.27   52.619  1945.90   72.104  2558.52   76.961  119.195   2.2091  136.679   2.0563 -17.48409 3.018006 
1 1 1    2    3    2 o  392.752   3.1577 21135.32  339.614 21074.99  479.092 21196.26  481.489  392.050   4.4626  393.175   4.4721 -1.125122 6.317780 
1 1 1    2    3    3 o  330.488   2.6596 14962.79  240.689 14924.44  339.531 15001.52  341.246  329.973   3.7576  330.823   3.7669 -0.8501282 5.320612 
1 1 1    2    3    4 o  119.661   1.1909  1960.73   39.021  1988.36   60.352  1940.89   51.151  120.490   1.8291  119.048   1.5691 1.442375 2.409926 
1 1 1    2    3    5 o  130.911   1.4020  2346.96   50.260  2347.24   71.080  2346.68   71.075  130.904   1.9829  130.889   1.9830 0.1568604E-01 2.804344 
1 1 1    2    3    6 f   78.026   0.7937  833.636   16.959  841.669   24.135  825.803   23.835   78.398   1.1242   77.656   1.1208 0.7424011 1.587505 
1 1 1    2    3    7 o  289.863   2.7971 11515.57  222.021 11456.42  292.153 11596.43  341.581  289.009   3.6916  290.680   4.2913 -1.670654 5.660637 
1 1 1    2    3    8 o  100.162   1.2371  1373.83   33.930  1533.74   59.111  1295.26   41.436  105.817   2.0400   97.251   1.5560 8.565422 2.565644 
1 1 1    2    3    9 o  185.627   1.8171  4719.00   92.363  4737.36  122.660  4694.94  140.365  185.970   2.4086  185.123   2.7689 0.8474121 3.669927 
1 1 1    2    3   10 o  257.743   2.4974  9099.26  176.262  9052.17  267.986  9135.17  234.001  257.008   3.8078  258.213   3.3094 -1.204712 5.044962 
1 1 1    2    3   11 o  138.219   1.3034  2616.04   49.333  2626.78   69.938  2605.40   69.597  138.495   1.8441  137.930   1.8426 0.5648804 2.606943 
1 1 1    2    3   12 o  159.946   1.4900  3503.33   65.260  3524.49   92.837  3482.66   91.756  160.415   2.1134  159.460   2.1013 0.9544067 2.980294 
1 1 1    2    3   13 o  111.113   1.1852  1690.61   36.062  1707.49   48.223  1669.18   54.318  111.661   1.5771  110.398   1.7968 1.263222 2.390744 
1 1 1    2    3   14 o  121.570   1.3755  2023.97   45.792  2030.81   65.047  2017.25   64.476  121.763   1.9509  121.356   1.9402 0.4067612 2.751404 
1 1 1    2    3   15 o   51.793   0.9785  367.350   13.877  355.195   18.139  384.507   21.550   50.926   1.3007   52.983   1.4853 -2.057247 1.974351 
1 1 1    2    3   16 o  110.733   1.1211  1679.47   33.993  1708.57   48.661  1651.73   47.508  111.667   1.5914  109.794   1.5801 1.872765 2.242599 
1 1 1    2    3   17 o   81.925   1.0094  919.391   22.644  905.262   29.565  939.440   35.218   81.279   1.3284   82.786   1.5535 -1.507416 2.044021 
1 1 1    2    3   18 o   38.462   1.1120  202.695   11.712  199.781   17.602  205.010   15.690   38.166   1.6842   38.670   1.4817 -0.5036888 2.243192 
1 1 1    2    3   19 o   81.362   0.9449  906.925   21.052  898.986   29.584  915.070   29.965   80.981   1.3341   81.702   1.3394 -0.7208328 1.890412 
1 1 1    2    3   20 o   84.092   1.2315  969.419   28.359  944.765   43.881  987.101   37.162   82.941   1.9321   84.820   1.6000 -1.878525 2.508546 
1 1 1    2    3   21 o   59.348   1.0258  482.767   16.671  451.707   24.884  508.064   22.457   57.365   1.5841   60.859   1.3475 -3.494843 2.079683 
1 1 1    2    3   22 o   14.754   3.1511   31.295   12.344   14.037   16.277   54.653   18.936   11.131   4.0810   19.509   3.6795 -8.378431 5.494800 
1 1 1    2    3   23 o   34.741   1.4545  165.788   13.837  159.587   19.354  172.271   19.791   33.964   2.0912   35.298   2.0564 -1.334461 2.932855 
1 1 1    2    3   24 o   11.033   3.7047   16.130   13.211   9.6394   18.563   22.793   18.807   10.769   4.2556   13.067   4.4201 -2.297255 6.135739 
1 1 1    2    3   25 o   37.617   1.4536  194.724   14.974  199.098   21.138  190.319   21.214   37.891   2.0448   37.031   2.1007 0.8601913 2.931604 
1 1 1    2    3   26 o   37.649   1.6598  195.985   17.112  184.716   20.776  219.754   30.174   36.388   2.0939   39.415   2.8141 -3.027493 3.507660 
1 1 1    2    3   27 o   34.891   1.4948  168.821   14.282  167.972   20.098  169.688   20.300   34.515   2.1369   34.686   2.1478 -0.1714706 3.029767 
1 1 1    2    3   28 o   14.110   3.4879   31.290   13.400   39.900   17.768   19.936   20.404   15.641   4.0989   11.861   4.5232 3.780435 6.104143 
1 1 1    2    3   29 o   9.9613   3.4823   15.024   11.703   20.322   16.199   9.2400   16.925   11.315   4.0828   9.5418   3.9548 1.772861 5.684143 
1 1 1    2    4    0 o  228.514   3.3798  7157.60  211.385  7157.60  211.385  7157.60  211.385  228.514   3.3798  228.514   3.3798 0.000000 0.000000 
1 1 1    2    4    1 o  145.073   1.1912  2881.91   47.322  2747.57   71.328  2987.53   63.245  141.640   1.8390  147.701   1.5637 -6.061203 2.413939 
1 1 1    2    4    2 o  157.481   1.2862  3396.08   55.466  3393.46   78.401  3398.70   78.480  157.409   1.8189  157.531   1.8193 -0.1215820 2.572576 
1 1 1    2    4    3 o   59.730   0.8974  488.522   14.678  494.330   20.863  482.829   20.654   60.082   1.2681   59.379   1.2702 0.7030716 1.794819 
1 1 1    2    4    4 o  217.683   1.7671  6490.28  105.335  6544.98  150.270  6437.44  147.695  218.559   2.5108  216.757   2.4883 1.801666 3.534944 
1 1 1    2    4    5 o  140.433   1.3889  2700.89   53.413  2735.91   82.563  2675.68   70.045  141.316   2.1335  139.763   1.8302 1.553375 2.810985 
1 1 1    2    4    6 o  132.432   1.2317  2401.79   44.667  2423.65   63.703  2380.65   62.648  133.020   1.7489  131.835   1.7353 1.184921 2.463725 
1 1 1    2    4    7 o  113.603   1.2478  1767.31   38.817  1855.06   57.405  1693.38   52.688  116.378   1.8013  111.192   1.7304 5.185356 2.497801 
1 1 1    2    4    8 o  173.489   1.7017  4122.04   80.843  4100.80  122.841  4138.27  107.372  173.014   2.5928  173.814   2.2559 -0.8006439 3.436834 
1 1 1    2    4    9 o  179.497   1.7598  4412.27   86.500  4416.41  114.500  4406.77  132.021  179.567   2.3286  179.360   2.6880 0.2070160 3.556350 
1 1 1    2    4   10 o  325.027   3.1351 14473.40  279.032 14374.73  366.507 14609.44  430.362  323.842   4.1329  326.412   4.8148 -2.569611 6.345357 
1 1 1    2    4   11 o  242.601   2.2038  8061.10  146.407  8158.49  209.452  7968.06  204.730  244.018   3.1345  241.155   3.1002 2.862793 4.408719 
1 1 1    2    4   12 o  203.841   1.9956  5690.90  111.393  5787.15  172.987  5622.71  145.597  205.512   3.0739  202.592   2.6245 2.919952 4.041844 
1 1 1    2    4   13 o  185.929   1.7159  4734.51   87.364  4766.39  124.358  4703.45  122.761  186.527   2.4347  185.292   2.4194 1.234955 3.432394 
1 1 1    2    4   14 o  128.121   1.3299  2248.00   46.660  2260.78   71.743  2238.63   61.426  128.465   2.0394  127.843   1.7546 0.6218567 2.690342 
1 1 1    2    4   15 o  118.180   1.3506  1912.99   43.709  1933.58   54.216  1874.75   73.879  118.802   1.6665  116.950   2.3069 1.852455 2.845917 
1 1 1    2    4   16 f   51.134   0.9804  358.121   13.728  365.479   21.217  352.822   18.005   51.645   1.5003   50.748   1.2956 0.8971176 1.982278 
1 1 1    2    4   17 o  100.914   1.2183  1395.42   33.667  1379.48   47.200  1411.93   48.037  100.298   1.7186  101.469   1.7288 -1.171715 2.437676 
1 1 1    2    4   18 o  117.794   1.2543  1901.66   40.460  1889.05   61.672  1911.18   53.610  117.326   1.9196  118.046   1.6585 -0.7192917 2.536783 
1 1 1    2    4   19 o   48.520   0.9388  322.530   12.474  331.251   17.707  313.938   17.575   49.156   1.3154   47.853   1.3412 1.302982 1.878626 
1 1 1    2    4   20 o  119.571   1.2026  1959.99   39.377  1963.23   55.849  1956.79   55.528  119.595   1.7053  119.400   1.6983 0.1950760 2.406754 
1 1 1    2    4   21 o   51.215   1.0749  359.580   15.074  360.102   22.997  359.187   19.961   51.210   1.6399   51.163   1.4248 0.4709244E-01 2.172367 
1 1 1    2    4   22 o   22.397   2.5196   70.103   15.185   82.721   20.209   53.740   23.013   24.235   3.1174   19.194   4.4631 5.041412 5.444006 
1 1 1    2    4   23 o   9.3909   3.6737   7.5764   13.709   9.9781   17.912   4.1801   21.301   10.712   4.1968   10.608   4.4200 0.1035414 6.095043 
1 1 1    2    4   24 o   95.482   1.1870  1251.63   31.037  1252.58   40.880  1250.33   47.688   95.424   1.5645   95.257   1.8282 0.1669769 2.406201 
1 1 1    2    4   25 o   29.595   1.7707  121.308   14.284  109.143   19.988  134.006   20.420   27.865   2.6515   30.961   2.4281 -3.096060 3.595259 
1 1 1    2    4   26 o   15.252   3.6461   34.735   15.022   19.999   20.696   51.142   21.838   12.533   4.6006   18.313   4.4080 -5.779918 6.371483 
1 1 1    2    4   27 o   33.680   1.5193  157.548   14.012  148.818   19.782  166.337   19.850   32.394   2.2438   34.317   2.1228 -1.922340 3.088864 
1 1 1    2    4   28 o   17.404   3.2329   46.703   14.840   36.079   20.758   57.808   21.223   14.570   4.6286   18.709   4.2406 -4.138469 6.277470 
1 1 1    2    4   29 o   16.159   2.7574   39.932   11.763   43.451   16.128   35.932   17.194   16.222   3.7110   14.430   4.1373 1.791823 5.557776 
1 1 1    2    5    0 o  221.880   2.5390  6745.47  154.222  6745.47  154.222  6745.47  154.222  221.880   2.5390  221.880   2.5390 0.000000 0.000000 
1 1 1    2    5    1 o  174.818   1.5007  4185.40   71.841  4101.61  105.608  4257.58   98.015  173.034   2.2288  176.301   2.0302 -3.267273 3.014883 
1 1 1    2    5    2 o   94.132   1.0411  1213.35   26.835  1208.95   46.702  1215.53   32.789   93.949   1.8153   94.213   1.2709 -0.2643738 2.215995 
1 1 1    2    5    3 o   98.140   0.9393  1318.86   25.242  1339.76   36.271  1299.23   35.150   98.909   1.3392   97.401   1.3179 1.507332 1.878865 
1 1 1    2    5    4 o  219.516   1.7794  6600.52  106.964  6677.48  153.018  6527.00  149.580  220.744   2.5314  218.244   2.5029 2.499329 3.559851 
1 1 1    2    5    5 f  139.286   1.3778  2656.92   52.549  2741.21   82.683  2599.81   68.064  141.453   2.1346  137.768   1.8042 3.684937 2.794909 
1 1 1    2    5    6 o  174.135   1.7058  4153.10   81.339  4089.64  105.945  4244.22  126.942  172.779   2.2393  175.994   2.6340 -3.215851 3.457209 
1 1 1    2    5    7 o  232.479   2.2531  7403.23  143.437  7446.50  190.856  7347.07  217.433  233.117   2.9898  231.527   3.4295 1.590546 4.549789 
1 1 1    2    5    8 o  359.484   3.4647 17708.60  341.064 17594.81  448.471 17864.70  525.254  358.216   4.5719  360.860   5.3155 -2.644135 7.011185 
1 1 1    2    5    9 o   44.971   0.7976  276.911   9.8222  283.914   12.909  267.281   15.137   45.535   1.0352   44.181   1.2512 1.354671 1.623960 
1 1 1    2    5   10 o   77.423   0.9110  820.775   19.313  891.827   31.408  777.573   24.491   80.701   1.4213   75.356   1.1868 5.344978 1.851648 
1 1 1    2    5   11 o  186.047   1.8292  4740.42   93.189  4764.25  143.075  4722.86  122.811  186.483   2.8018  185.685   2.4153 0.7978058 3.699156 
1 1 1    2    5   12 o  210.113   2.4304  6047.61  139.837  5912.50  216.025  6145.06  183.460  207.676   3.7986  211.761   3.1638 -4.085022 4.943582 
1 1 1    2    5   13 o  179.744   1.9217  4425.28   94.587  4391.73  163.096  4442.28  116.107  178.991   3.3275  180.071   2.3546 -1.080429 4.076382 
1 1 1    2    5   14 o  222.497   2.1749  6783.21  132.510  6771.74  202.127  6791.85  175.481  222.198   3.3220  222.576   2.8791 -0.3780212 4.396000 
1 1 1    2    5   15 o   87.560   1.1081  1050.04   26.569  1065.92   38.127  1035.05   37.045   88.205   1.5785   86.919   1.5564 1.286018 2.216775 
1 1 1    2    5   16 o  170.619   1.5915  3989.99   74.356  3928.51  103.592  4055.32  106.791  169.213   2.2356  171.917   2.2684 -2.704086 3.184942 
1 1 1    2    5   17 o  112.442   1.2093  1732.56   37.236  1767.48   50.105  1689.48   55.650  113.533   1.6117  110.975   1.8313 2.557755 2.439455 
1 1 1    2    5   18 o   20.734   1.8332   59.447   10.301   28.858   15.815   81.983   13.575   14.231   3.9291   24.351   2.0550 -10.11941 4.434103 
1 1 1    2    5   19 o   58.862   1.1430  474.859   18.424  472.901   23.337  478.099   30.018   58.723   1.4513   59.015   1.8575 -0.2918243 2.357205 
1 1 1    2    5   20 f   68.330   0.9382  639.790   17.556  636.352   24.779  643.254   24.876   68.119   1.3284   68.487   1.3264 -0.3685455 1.877257 
1 1 1    2    5   21 o   54.649   0.9892  409.367   14.803  407.338   20.989  411.376   20.881   54.483   1.4068   54.753   1.3927 -0.2706375 1.979545 
1 1 1    2    5   22 o   42.041   1.3905  242.639   16.008  262.992   23.076  223.760   22.224   43.715   1.9277   40.314   2.0132 3.401604 2.787281 
1 1 1    2    5   23 o   66.522   1.0409  606.962   18.962  609.862   26.805  604.058   26.827   66.621   1.4693   66.302   1.4776 0.3190918 2.083782 
1 1 1    2    5   24 o   34.156   1.6671  160.636   15.593  143.242   20.251  185.963   24.437   32.089   2.3203   36.552   2.4557 -4.462437 3.378510 
1 1 1    2    5   25 o   25.222   2.1786   88.885   14.899  116.679   23.040   68.907   19.533   28.697   2.9751   21.859   3.3717 6.837957 4.496614 
1 1 1    2    5   26 o   30.309   1.6606  127.642   13.730  126.880   19.760  128.354   19.092   29.971   2.4285   30.183   2.3279 -0.2117863 3.364078 
1 1 1    2    5   27 o   23.415   2.1013   77.947   13.330   77.799   19.183   78.084   18.535   22.890   3.1435   23.001   3.0154 -0.1116924 4.355938 
1 1 1    2    5   28 o   10.040   3.7917   13.720   14.250   7.6318   19.914   20.109   20.401   9.9207   4.2118   11.710   4.5089 -1.788964 6.170056 
1 1 1    2    5   29 f   15.479   2.8908   37.196   11.802   29.427   16.072   46.290   17.389   13.084   4.0610   16.563   3.8987 -3.478825 5.629515 
1 1 1    2    6    0 o  219.584   2.8122  6608.55  169.034  6608.55  169.034  6608.55  169.034  219.584   2.8122  219.584   2.8122 0.000000 0.000000 
1 1 1    2    6    1 o  247.622   2.8341  8404.53  192.172  8280.13  299.402  8491.69  250.606  245.586   4.4521  248.810   3.6782 -3.223770 5.774942 
1 1 1    2    6    2 o  157.972   2.0501  3418.72   88.684   0.0000   0.0000  3418.72   88.684  ?   ?   157.972   2.0501 0.000000 2.050099 
1 1 1    2    6    3 f  176.156   1.6080  4250.12   77.567  4354.83  129.871  4192.06   96.712  178.260   2.6605  174.932   2.0189 3.328827 3.339832 
1 1 1    2    6    4 o  100.158   1.2085  1373.75   33.145  1385.85   43.156  1356.35   51.756  100.592   1.5667   99.509   1.8994 1.083130 2.462146 
1 1 1    2    6    5 o  189.224   1.8439  4904.17   95.543  5022.37  149.227  4822.06  124.379  191.444   2.8465  187.609   2.4210 3.834778 3.736867 
1 1 1    2    6    6 o   79.362   1.0238  862.428   22.249  876.703   29.213  842.708   34.335   80.014   1.3333   78.444   1.5984 1.569206 2.081474 
1 1 1    2    6    7 o  289.875   2.4679 11509.75  195.898 11373.29  290.151 11624.06  265.564  288.077   3.6781  291.261   3.3296 -3.183411 4.961353 
1 1 1    2    6    8 o  341.732   3.5553 16002.09  332.702 15868.28  466.512 16140.59  474.615  340.167   5.0082  343.069   5.0521 -2.901581 7.113757 
1 1 1    2    6    9 o  177.532   2.0669  4316.54  100.483  4332.20  159.603  4306.26  129.332  177.816   3.2778  177.304   2.6638 0.5116425 4.223700 
1 1 1    2    6   10 o  336.277   3.0324 15493.64  279.233 15316.15  390.326 15679.70  399.630  334.234   4.2647  338.172   4.3155 -3.937958 6.067219 
1 1 1    2    6   11 o  106.879   1.2242  1564.21   35.828  1505.29   59.982  1596.90   44.672  104.834   2.0895  107.986   1.5107 -3.152260 2.578381 
1 1 1    2    6   12 f  114.757   1.2099  1803.35   38.019  1851.77   51.532  1745.52   56.322  116.281   1.6184  112.891   1.8219 3.389206 2.436906 
1 1 1    2    6   13 f  250.860   2.2811  8622.16  156.696  8612.49  221.347  8631.87  221.858  250.634   3.2251  250.916   3.2289 -0.2813568 4.563685 
1 1 1    2    6   14 o   67.764   0.9578  628.836   17.772  612.936   26.974  641.034   23.626   66.893   1.4725   68.413   1.2611 -1.520164 1.938769 
1 1 1    2    6   15 o   86.333   1.0983  1020.91   25.965  1015.33   36.291  1026.76   37.165   86.080   1.5396   86.562   1.5679 -0.4818802 2.197400 
1 1 1    2    6   16 o  101.955   1.1243  1424.14   31.388  1456.02   42.080  1384.16   47.126  103.065   1.4910  100.472   1.7129 2.593124 2.270896 
1 1 1    2    6   17 o  164.596   1.6511  3715.51   74.417  3690.64   97.702  3749.88  114.848  163.944   2.1763  165.169   2.5392 -1.224594 3.344260 
1 1 1    2    6   18 o   33.003   1.1251  149.262   10.168  164.540   14.495  134.460   14.266   34.638   1.5281   31.263   1.6725 3.375206 2.265489 
1 1 1    2    6   19 o   73.534   1.0663  741.036   21.471  771.320   30.906  712.783   29.852   74.987   1.5051   72.085   1.5123 2.902252 2.133605 
1 1 1    2    6   20 o   84.162   0.9871  970.779   22.750  989.319   32.490  952.947   31.864   84.921   1.3972   83.345   1.3962 1.575562 1.975178 
1 1 1    2    6   21 o   67.321   0.9697  621.235   17.876  644.759   25.815  599.563   24.778   68.544   1.3753   66.099   1.3689 2.445305 1.940497 
1 1 1    2    6   22 o   78.045   1.0248  835.258   21.901  881.317   31.901  794.195   30.121   80.105   1.4543   76.043   1.4465 4.061066 2.051169 
1 1 1    2    6   23 o   95.711   1.1761  1257.27   30.823  1246.52   40.451  1272.16   47.598   95.216   1.5514   96.118   1.8084 -0.9022064 2.382680 
1 1 1    2    6   24 o   57.368   1.2070  452.059   18.961  476.063   25.354  421.594   28.562   58.805   1.5745   55.272   1.8871 3.532166 2.457664 
1 1 1    2    6   25 o   24.980   2.3293   87.626   15.749  102.893   27.276   79.992   19.289   26.550   3.8652   23.644   3.0503 2.905943 4.923810 
1 1 1    2    6   26 o   14.996   3.2790   33.564   13.089   33.053   18.788   34.046   18.246   14.673   4.3585   14.880   4.2607 -0.2069969 6.095053 
1 1 1    2    6   27 o   15.681   3.0982   37.248   12.832   63.995   18.136   10.433   18.159   20.532   3.3404   10.248   4.1545 10.28462 5.330863 
1 1 1    2    6   28 o   23.733   2.0023   81.077   12.892   75.219   18.752   86.326   17.752   22.059   3.1976   23.996   2.7514 -1.936455 4.218372 
1 1 1    2    7    0 o  243.223   4.4042  8116.79  293.119  8116.79  293.119  8116.79  293.119  243.223   4.4042  243.223   4.4042 0.000000 0.000000 
1 1 1    2    7    1 o  265.339   2.3944  9646.01  173.972  9632.50  283.681  9654.16  220.252  265.009   3.9091  265.399   3.0306 -0.3903809 4.946316 
1 1 1    2    7    2 o  303.991   2.5901 12661.98  215.606 12243.40  359.740 12896.61  269.340  298.718   4.3978  306.735   3.2066 -8.017151 5.442728 
1 1 1    2    7    3 o  260.436   2.3602  9291.86  168.320  9995.20  295.708  8954.76  204.721  269.974   3.9999  255.631   2.9246 14.34322 4.955040 
1 1 1    2    7    4 f  349.878   3.6423 16780.05  348.960 16180.41  475.277 17481.38  514.003  343.387   5.0545  356.892   5.2594 -13.50519 7.294468 
1 1 1    2    7    5 o  145.661   1.3483  2905.41   53.779  2940.53   88.720  2885.01   67.618  146.522   2.2112  145.143   1.7013 1.378937 2.789949 
1 1 1    2    7    6 o  103.905   1.1520  1478.32   32.778  1538.88   48.243  1426.40   44.672  106.007   1.6619  102.060   1.5984 3.946915 2.305861 
1 1 1    2    7    7 o  294.433   2.6582 11874.83  214.320 11643.36  342.610 12023.64  274.704  291.444   4.2929  296.231   3.3865 -4.786438 5.467854 
1 1 1    2    7    8 o  208.350   1.7917  5944.80  102.221  6012.04  154.779  5892.79  136.133  209.496   2.6980  207.419   2.3968 2.077408 3.608867 
1 1 1    2    7    9 o  250.584   2.4314  8601.17  166.837  8687.85  223.086  8491.15  251.315  251.801   3.2354  248.905   3.6872 2.895721 4.905407 
1 1 1    2    7   10 o  243.851   2.2133  8144.87  147.792  8128.38  208.583  8161.48  209.438  243.555   3.1275  244.051   3.1339 -0.4949646 4.427459 
1 1 1    2    7   11 o  137.294   1.5014  2581.38   56.446  2597.23   80.087  2565.73   79.568  137.700   2.1239  136.862   2.1231 0.8377075 3.003088 
1 1 1    2    7   12 o  257.496   2.7013  9085.94  190.475  8989.75  230.796  9291.38  337.303  256.076   3.2913  260.161   4.7347 -4.084717 5.766254 
1 1 1    2    7   13 o  158.233   1.4811  3429.46   64.176  3469.58   91.795  3391.09   89.757  159.124   2.1066  157.316   2.0836 1.808838 2.962962 
1 1 1    2    7   14 o  158.620   1.7152  3447.73   74.500  3445.61  105.554  3449.84  105.166  158.506   2.4319  158.604   2.4214 -0.9848022E-01 3.431808 
1 1 1    2    7   15 o   61.951   0.8549  525.642   14.504  540.923   20.694  510.891   20.333   62.835   1.2027   61.065   1.2159 1.769646 1.710260 
1 1 1    2    7   16 o   25.026   1.4453   86.139   9.8624   80.223   12.977   94.229   15.175   24.097   1.9842   26.112   2.1411 -2.015085 2.919126 
1 1 1    2    7   17 o   55.969   0.8700  429.103   13.334  423.110   18.752  435.233   18.965   55.563   1.2325   56.353   1.2290 -0.7905235 1.740487 
1 1 1    2    7   18 o   85.140   0.9615  993.187   22.416  1008.14   32.104  978.961   31.313   85.749   1.3672   84.500   1.3533 1.248817 1.923702 
1 1 1    2    7   19 o   31.330   1.4761  134.653   12.664  114.681   17.967  154.371   17.852   28.783   2.2988   33.464   1.9567 -4.681252 3.018771 
1 1 1    2    7   20 o   93.151   1.0335  1189.46   26.363  1212.13   37.780  1167.94   36.805   93.979   1.4681   92.251   1.4570 1.727203 2.068308 
1 1 1    2    7   21 o   25.612   1.8103   90.650   12.615  109.308   17.426   70.107   18.285   28.067   2.2873   22.287   3.0784 5.780037 3.835109 
1 1 1    2    7   22 o   83.627   1.0501  959.207   24.046  955.120   34.126  963.236   33.889   83.374   1.4947   83.730   1.4781 -0.3567734 2.102111 
1 1 1    2    7   23 o   88.417   1.1466  1073.06   27.762  1093.03   37.084  1047.58   41.874   89.152   1.5190   87.216   1.7533 1.936592 2.319819 
1 1 1    2    7   24 o   63.711   1.1572  557.630   20.189  549.854   26.517  568.355   31.141   63.185   1.5325   64.175   1.7720 -0.9906311 2.342815 
1 1 1    2    7   25 o   39.379   1.5219  214.165   16.412  226.183   23.123  201.965   23.297   40.260   2.1047   37.986   2.2497 2.273773 3.080750 
1 1 1    2    7   26 o   38.995   1.3502  210.438   14.418  207.233   20.606  213.511   20.182   38.423   1.9650   39.082   1.8858 -0.6590462 2.723469 
1 1 1    2    7   27 o   11.161   3.6975   19.019   13.168   19.701   17.289   18.078   20.321   11.557   4.2106   11.555   4.4858 0.2146721E-02 6.152361 
1 1 1    2    7   28 o   19.349   2.4275   55.567   12.578   51.585   18.196   59.212   17.407   17.635   3.8740   19.295   3.4196 -1.660593 5.167381 
1 1 1    2    8    0 o  231.308   5.9336  7350.20  375.277  7350.20  375.277  7350.20  375.277  231.308   5.9336  231.308   5.9336 0.000000 0.000000 
1 1 1    2    8    1 o  482.409   5.0181 31925.90  662.897 31734.49  930.463 32123.21  944.655  480.495   7.0716  483.412   7.1362 -2.916565 10.04656 
1 1 1    2    8    2 o  265.351   2.7720  9646.04  201.421  9321.42  274.618 10024.00  296.323  260.778   3.8456  270.415   4.0017 -9.636902 5.550001 
1 1 1    2    8    3 o   73.832   1.1015  746.432   22.271  752.732   31.760  740.337   31.239   74.140   1.5644   73.527   1.5515 0.6128311 2.203267 
1 1 1    2    8    4 o  138.092   1.3722  2611.27   51.888  2705.36   71.307  2505.39   75.646  140.551   1.8527  135.253   2.0424 5.297562 2.757550 
1 1 1    2    8    5 o  264.290   2.5532  9567.55  184.778  9624.69  245.993  9493.56  279.911  265.037   3.3894  263.195   3.8838 1.841492 5.154789 
1 1 1    2    8    6 o  439.840   3.7314 26511.71  449.419 25630.71  650.722 27315.18  621.437  432.244   5.4977  446.284   5.0851 -14.04031 7.488794 
1 1 1    2    8    7 o  270.549   2.8245 10027.45  209.255 10041.44  296.528 10013.58  295.337  270.662   4.0008  270.287   3.9903 0.3750000 5.650568 
1 1 1    2    8    8 o  228.373   2.0779  7143.18  129.943  6997.55  207.230  7237.54  166.811  225.975   3.3489  229.853   2.6502 -3.878769 4.270710 
1 1 1    2    8    9 o  353.081   3.4124 17085.56  329.927 17506.26  446.520 16579.72  489.629  357.265   4.5642  347.601   5.1440 9.664124 6.876906 
1 1 1    2    8   10 o  227.450   2.0699  7086.06  128.923  7049.66  181.389  7123.23  183.274  226.819   2.9204  227.999   2.9355 -1.179520 4.140738 
1 1 1    2    8   11 o  131.478   1.2561  2367.23   45.224  2402.18   64.860  2334.16   63.091  132.432   1.7885  130.545   1.7649 1.887665 2.512682 
1 1 1    2    8   12 o   87.494   1.0158  1048.31   24.337  1098.93   38.927  1015.83   31.182   89.570   1.5871   86.123   1.3222 3.447853 2.065674 
1 1 1    2    8   13 o   93.906   0.9867  1207.68   25.372  1194.40   35.624  1221.35   36.145   93.376   1.3932   94.424   1.3979 -1.047707 1.973616 
1 1 1    2    8   14 o  125.175   1.2966  2146.73   44.445  2122.96   66.999  2165.41   59.395  124.427   1.9664  125.686   1.7257 -1.259636 2.616243 
1 1 1    2    8   15 o   99.897   1.0289  1367.14   28.145  1384.84   40.148  1350.04   39.467  100.512   1.4587   99.241   1.4523 1.270584 2.058353 
1 1 1    2    8   16 o  111.533   1.1147  1704.50   34.045  1710.27   48.266  1698.78   48.029  111.678   1.5783  111.302   1.5758 0.3756256 2.230285 
1 1 1    2    8   17 o   61.958   0.8638  525.867   14.656  525.597   20.824  526.131   20.630   61.925   1.2280   61.957   1.2159 -0.3209686E-01 1.728159 
1 1 1    2    8   18 o   25.648   1.5026   90.541   10.507   85.152   15.736   94.878   14.115   24.773   2.3477   26.208   1.9814 -1.435024 3.072122 
1 1 1    2    8   19 o   40.576   1.1459  225.724   12.732  228.419   19.721  223.799   16.672   40.781   1.7659   40.383   1.5076 0.3974304 2.321960 
1 1 1    2    8   20 o   37.047   1.1917  188.241   12.090  199.263   17.319  177.764   16.885   38.086   1.6606   35.969   1.7143 2.117149 2.386720 
1 1 1    2    8   21 o   28.147   1.7964  109.421   13.774  119.540   19.934  100.177   19.053   29.309   2.5079   26.789   2.6312 2.520058 3.634970 
1 1 1    2    8   22 o   28.267   1.7911  110.439   13.792  111.148   21.578  109.949   17.934   28.162   2.8368   28.109   2.3515 0.5238724E-01 3.684671 
1 1 1    2    8   23 f   28.543   1.8737  112.849   14.564  103.750   19.174  125.257   22.391   27.213   2.6048   29.883   2.7678 -2.669781 3.800738 
1 1 1    2    8   24 o   29.616   1.6988  121.503   13.719  114.031   19.281  129.166   19.526   28.496   2.4961   30.378   2.3659 -1.882021 3.439164 
1 1 1    2    8   25 o   16.264   3.0138   38.747   12.928   26.851   18.284   50.640   18.282   13.486   4.3505   18.371   3.7608 -4.885033 5.750638 
1 1 1    2    8   26 o   23.619   2.0303   79.141   13.003   90.775   18.526   67.845   18.256   24.955   2.7571   21.296   3.2320 3.659164 4.248222 
1 1 1    2    8   27 o   37.352   1.5059  195.565   15.403  180.460   21.465  211.602   22.117   35.337   2.2297   38.375   2.1128 -3.038548 3.071718 
1 1 1    2    8   28 o   22.103   2.1136   71.285   12.637   56.896   18.436   84.037   17.355   18.553   3.7575   23.540   2.7438 -4.986654 4.652680 
1 1 1    2    9    0 o   13.108   1.7633   24.773   6.0072   24.773   6.0072   24.773   6.0072   13.108   1.7633   13.108   1.7633 0.000000 0.000000 
1 1 1    2    9    1 o  151.595   1.3988  3146.90   58.069  3239.03   84.398  3064.07   80.021  153.788   2.0041  149.578   1.9536 4.210205 2.798777 
1 1 1    2    9    2 o  293.987   3.0644 11840.59  246.699 12112.78  357.018 11591.87  341.283  297.254   4.3860  290.800   4.2858 6.453949 6.132318 
1 1 1    2    9    3 o  427.273   4.8616 25033.66  568.819 24997.16  733.292 25088.82  901.321  426.747   6.2750  427.257   7.7037 -0.5101929 9.935967 
1 1 1    2    9    4 o  241.682   2.3402  8000.22  154.879  7956.29  203.851  8060.20  238.205  240.985   3.0891  242.527   3.5867 -1.542053 4.733639 
1 1 1    2    9    5 o  325.530   3.1472 14519.13  280.545 14583.21  373.120 14435.78  425.528  326.162   4.1776  324.448   4.7895 1.714569 6.355455 
1 1 1    2    9    6 o  309.309   2.7896 13106.75  236.275 12924.92  329.387 13299.48  339.113  307.069   3.9172  311.481   3.9758 -4.412292 5.581363 
1 1 1    2    9    7 o  137.705   1.2955  2596.65   48.851  2517.99   77.184  2649.22   63.097  135.589   2.0788  139.086   1.6567 -3.496964 2.658190 
1 1 1    2    9    8 o  147.665   1.3035  2985.93   52.708  2957.61   78.003  3009.73   71.501  146.951   1.9384  148.244   1.7613 -1.293320 2.619129 
1 1 1    2    9    9 o  177.968   1.8970  4338.12   92.449  4291.90  111.944  4437.27  163.952  177.002   2.3096  179.922   3.3277 -2.920441 4.050626 
1 1 1    2    9   10 o  206.302   1.8936  5829.79  106.977  5943.32  177.107  5764.58  134.229  208.227   3.1061  205.119   2.3897 3.107208 3.918993 
1 1 1    2    9   11 o  226.537   2.2063  7032.31  136.863  7042.00  181.307  7019.47  208.671  226.623   2.9216  226.206   3.3687 0.4168854 4.459167 
1 1 1    2    9   12 f   61.670   0.9606  520.849   16.222  566.289   29.528  501.206   19.414   64.289   1.6773   60.493   1.1720 3.796032 2.046204 
1 1 1    2    9   13 o  106.223   1.2174  1545.74   35.411  1580.42   51.291  1514.15   48.948  107.377   1.7444  105.104   1.7007 2.272499 2.436220 
1 1 1    2    9   14 o   58.588   0.8815  470.172   14.142  467.820   21.477  471.972   18.791   58.426   1.3424   58.691   1.1692 -0.2653885 1.780160 
1 1 1    2    9   15 o   84.849   0.9328  986.233   21.673  991.149   30.764  981.389   30.539   85.037   1.3211   84.618   1.3179 0.4195023 1.866093 
1 1 1    2    9   16 o   13.658   2.3918   26.384   8.6194   20.075   12.192   32.687   12.187   11.955   3.5003   15.137   3.0456 -3.181610 4.639797 
1 1 1    2    9   17 o  119.462   1.2634  1956.39   41.330  1987.29   55.418  1917.67   62.040  120.343   1.6816  118.178   1.9171 2.165497 2.550140 
1 1 1    2    9   18 o   11.861   3.1238   20.137   10.287   14.488   13.837   27.116   15.380   10.830   3.7866   13.793   3.8988 -2.962299 5.434974 
1 1 1    2    9   19 o   58.979   0.9419  476.743   15.213  516.202   22.301  442.402   20.805   61.340   1.3277   56.786   1.3379 4.554779 1.884876 
1 1 1    2    9   20 o  120.756   1.2260  2000.58   40.540  2034.07   58.101  1968.81   56.592  121.637   1.7443  119.674   1.7269 1.962379 2.454568 
1 1 1    2    9   21 o   82.601   1.0917  935.954   24.693  925.047   37.133  944.601   33.062   82.017   1.6533   82.920   1.4561 -0.9028168 2.203115 
1 1 1    2    9   22 o   26.434   1.9577   96.886   14.070  107.410   21.945   89.540   18.334   27.632   2.9456   25.262   2.6918 2.370426 3.990246 
1 1 1    2    9   23 o   52.495   1.1341  378.509   16.303  382.626   23.034  374.377   23.078   52.697   1.5962   52.122   1.6169 0.5754433 2.272089 
1 1 1    2    9   24 o   44.419   1.2978  271.798   15.786  273.725   23.689  270.260   21.172   44.408   1.9481   44.184   1.7498 0.2241135 2.618552 
1 1 1    2    9   25 o   36.965   1.3477  188.994   13.642  214.661   19.596  164.856   19.003   39.230   1.8241   34.246   2.0356 4.983887 2.733317 
1 1 1    2    9   26 o   13.418   3.5001   28.227   12.995   19.722   19.999   34.442   17.096   11.832   4.4862   14.571   4.1077 -2.739383 6.082694 
1 1 1    2    9   27 o   22.100   1.9831   70.401   11.873   53.889   16.726   87.175   16.858   18.416   3.4432   24.207   2.5830 -5.790730 4.304338 
1 1 1    2   10    0 o  178.918   2.3158  4385.97  113.419  4385.97  113.419  4385.97  113.419  178.918   2.3158  178.918   2.3158 0.000000 0.000000 
1 1 1    2   10    1 o  216.107   2.0976  6396.32  124.130  6305.84  161.885  6525.44  193.374  214.548   2.7555  218.230   3.2359 -3.681595 4.250120 
1 1 1    2   10    2 o  378.037   3.9316 19589.08  406.997 19895.37  716.731 19443.32  494.451  380.542   6.8780  376.525   4.7956 4.017029 8.384800 
1 1 1    2   10    3 o  176.921   1.8759  4286.78   90.880  4245.04  127.659  4329.68  129.407  176.035   2.6483  177.780   2.6582 -1.745895 3.752250 
1 1 1    2   10    4 o  354.363   4.5214 17219.82  438.739 17446.49  627.978 17003.66  613.227  356.405   6.4344  351.865   6.3644 4.540314 9.050268 
1 1 1    2   10    5 o  100.668   1.4201  1387.75   39.148  1374.05   54.875  1401.94   55.866  100.162   2.0007  101.173   2.0165 -1.011436 2.840607 
1 1 1    2   10    6 o  146.239   1.4624  2928.64   58.561  2711.73   83.030  3143.34   82.607  140.704   2.1549  151.493   1.9913 -10.78845 2.934109 
1 1 1    2   10    7 o   48.184   0.7247  317.904   9.5619  341.666   14.364  298.996   12.813   49.952   1.0502   46.729   1.0014 3.222931 1.451045 
1 1 1    2   10    8 o  240.409   2.0584  7916.98  135.508  7881.70  202.098  7945.80  182.648  239.806   3.0776  240.802   2.7699 -0.9963837 4.140532 
1 1 1    2   10    9 f  141.548   1.4317  2744.03   55.495  2702.34   71.877  2805.56   87.321  140.455   1.8688  143.098   2.2284 -2.642914 2.908293 
1 1 1    2   10   10 o  177.661   1.7614  4324.10   85.693  4276.36  111.413  4393.25  134.088  176.641   2.3033  179.002   2.7355 -2.361267 3.576094 
1 1 1    2   10   11 o  115.755   1.1499  1835.22   36.450  1873.21   51.515  1797.14   51.582  116.927   1.6089  114.526   1.6448 2.400681 2.300827 
1 1 1    2   10   12 o   39.933   0.9735  218.413   10.646  240.715   17.526  205.373   13.401   41.911   1.5271   38.718   1.2640 3.193352 1.982325 
1 1 1    2   10   13 o   99.034   1.0748  1343.66   29.149  1352.84   39.069  1332.12   43.777   99.349   1.4361   98.570   1.6218 0.7785110 2.166260 
1 1 1    2   10   14 o   86.404   0.9903  1022.78   23.431  1002.07   35.047  1039.52   31.507   85.492   1.4971   87.088   1.3212 -1.595985 1.996652 
1 1 1    2   10   15 o   66.296   0.8516  602.056   15.461  629.749   22.524  577.383   21.260   67.786   1.2134   64.908   1.1961 2.878639 1.703839 
1 1 1    2   10   16 o   66.945   0.8696  613.962   15.942  609.777   22.536  618.153   22.555   66.697   1.2339   67.154   1.2265 -0.4569626 1.739803 
1 1 1    2   10   17 o   64.659   1.0251  572.958   18.151  585.320   25.622  560.503   25.717   65.323   1.4324   63.920   1.4692 1.402916 2.051891 
1 1 1    2   10   18 o   56.851   1.0888  443.090   16.950  454.845   20.691  419.108   29.553   57.584   1.3122   55.213   1.9546 2.370739 2.354230 
1 1 1    2   10   19 o   47.118   1.0975  304.440   14.160  296.142   21.279  311.035   18.970   46.424   1.6739   47.598   1.4554 -1.173759 2.218131 
1 1 1    2   10   20 o   36.075   1.5869  178.874   15.676  162.191   25.378  189.167   19.934   34.117   2.7395   37.009   1.9741 -2.891346 3.376651 
1 1 1    2   10   21 o   22.943   1.9578   73.074   12.182   74.285   17.093   71.824   17.367   22.979   2.7726   22.567   2.8757 0.4121723 3.994597 
1 1 1    2   10   22 o   41.247   1.3860  233.924   15.655  240.334   24.216  229.322   20.519   41.637   2.1310   40.775   1.8377 0.8620377 2.813949 
1 1 1    2   10   23 o   18.780   2.5781   50.120   12.908   29.293   17.934   72.509   18.594   14.138   4.2716   22.495   3.1011 -8.356838 5.278563 
1 1 1    2   10   24 o   12.392   4.0375   22.262   15.725   13.785   19.721   37.058   26.056   11.330   4.4134   15.613   5.2026 -4.283092 6.822377 
1 1 1    2   10   25 o   8.2928   3.3762   5.3158   12.053   12.313   16.899  -1.9274   17.195   10.417   4.0777   8.5005   3.7567 1.915974 5.544433 
1 1 1    2   10   26 o   8.9779   3.5819   8.6888   13.267   16.493   19.081   1.3833   18.461   11.055   4.3314   8.9374   3.9233 2.117743 5.844118 
1 1 1    2   10   27 o   6.7931   3.0173  -1.3512   11.229  -0.8766   15.552  -1.8680   16.230   7.9263   3.5339   7.9608   3.5753 -0.3446245E-01 5.027012 
1 1 1    2   11    0 o  210.764   3.1296  6088.60  180.533  6088.60  180.533  6088.60  180.533  210.764   3.1296  210.764   3.1296 0.000000 0.000000 
1 1 1    2   11    1 o  222.617   2.1600  6788.08  131.678  6739.28  172.983  6855.31  203.051  221.784   2.8483  223.658   3.3154 -1.874451 4.370851 
1 1 1    2   11    2 o  254.300   2.4617  8858.75  171.421  8547.83  252.631  9124.05  233.365  249.717   3.6944  258.027   3.3028 -8.309250 4.955527 
1 1 1    2   11    3 o  176.436   2.6685  4264.82  128.929  4264.82  128.929   0.0000   0.0000  176.436   2.6685  ?   ?  0.000000 2.668537 
1 1 1    2   11    4 o  127.774   1.5374  2235.83   53.792  2151.31   81.996  2299.70   71.272  125.317   2.3894  129.577   2.0086 -4.259689 3.121546 
1 1 1    2   11    5 o  243.011   2.2081  8089.61  146.941  8179.80  210.432  8003.80  205.275  244.299   3.1456  241.660   3.1020 2.639145 4.417805 
1 1 1    2   11    6 o  227.305   2.0707  7077.46  128.889  6712.14  199.527  7339.05  168.844  221.282   3.2928  231.432   2.6642 -10.14995 4.235651 
1 1 1    2   11    7 o  225.098   2.0487  6941.29  126.283  6621.69  196.095  7167.75  165.068  219.763   3.2585  228.699   2.6358 -8.936707 4.191109 
1 1 1    2   11    8 o  116.313   1.1998  1852.77   38.214  1918.65   60.519  1809.09   49.282  118.343   1.8675  114.924   1.5660 3.418648 2.437187 
1 1 1    2   11    9 o  114.777   1.2100  1804.31   38.029  1784.50   55.858  1821.43   51.919  114.123   1.7874  115.304   1.6444 -1.181396 2.428742 
1 1 1    2   11   10 o   88.665   0.9547  1076.68   23.179  1066.53   31.302  1089.02   34.491   88.236   1.2955   89.157   1.4127 -0.9212875 1.916793 
1 1 1    2   11   11 o  141.579   1.2696  2746.30   49.221  2691.61   71.625  2795.24   67.754  140.107   1.8669  142.793   1.7328 -2.685867 2.547093 
1 1 1    2   11   12 o   72.625   0.8648  722.451   17.199  719.629   23.604  725.645   25.111   72.470   1.1894   72.769   1.2602 -0.2988510 1.732848 
1 1 1    2   11   13 o  100.883   1.0573  1394.40   29.208  1353.51   45.501  1423.06   38.091   99.342   1.6726  101.891   1.3652 -2.549347 2.159053 
1 1 1    2   11   14 o   41.192   0.8753  232.441   9.8733  223.292   13.833  241.942   14.097   40.363   1.2515   42.016   1.2252 -1.652729 1.751438 
1 1 1    2   11   15 o   58.521   0.9703  469.233   15.549  501.890   23.667  444.430   20.625   60.498   1.4286   56.936   1.3229 3.562092 1.947006 
1 1 1    2   11   16 o   45.484   1.0002  283.507   12.458  299.638   16.526  262.276   18.960   46.747   1.2910   43.719   1.5837 3.027515 2.043226 
1 1 1    2   11   17 o   41.831   1.1178  239.902   12.804  233.042   17.409  247.986   18.900   41.205   1.5429   42.500   1.6240 -1.294865 2.240025 
1 1 1    2   11   18 o   86.328   1.0652  1021.81   25.181  1021.54   33.042  1022.18   38.892   86.273   1.3986   86.260   1.6465 0.1317596E-01 2.160339 
1 1 1    2   11   19 o   13.950   3.0145   28.012   11.179   22.477   15.636   33.800   15.989   12.729   4.0144   15.256   3.8322 -2.527894 5.549908 
1 1 1    2   11   20 o   52.617   1.2048  379.992   17.359  388.422   29.947  375.726   21.303   53.071   2.0606   52.287   1.4879 0.7847862 2.541652 
1 1 1    2   11   21 o   18.000   2.5627   45.812   12.275   43.276   17.186   48.453   17.537   17.219   3.7511   18.268   3.6337 -1.049246 5.222477 
1 1 1    2   11   22 o   39.881   1.4070  218.924   15.365  211.547   23.701  224.273   20.180   38.987   2.2293   40.292   1.8290 -1.304855 2.883607 
1 1 1    2   11   23 o   72.016   1.0302  713.050   20.317  716.811   28.839  709.345   28.626   72.055   1.4616   71.681   1.4584 0.3749161 2.064726 
1 1 1    2   11   24 o   22.086   2.4120   69.828   14.351   74.779   17.509   59.698   25.048   22.659   2.8875   19.270   4.7718 3.388802 5.577429 
1 1 1    2   11   25 o   32.958   1.5127  151.754   13.652  165.985   18.163  133.268   20.700   34.196   1.9477   30.268   2.5204 3.927986 3.185290 
1 1 1    2   11   26 o   10.203   3.5407   15.869   12.087   17.035   17.947   14.901   16.352   10.888   4.2189   10.383   4.0260 0.5049515 5.831582 
1 1 1    2   12    0 o  157.034   2.3585  3379.62  101.369  3379.62  101.369  3379.62  101.369  157.034   2.3585  157.034   2.3585 0.000000 0.000000 
1 1 1    2   12    1 o  252.308   2.4422  8721.60  168.735  8630.33  220.844  8849.61  261.539  250.926   3.2140  254.042   3.7596 -3.116394 4.946164 
1 1 1    2   12    2 o   51.238   0.8753  359.481   12.281  335.439   19.092  376.452   16.040   49.491   1.4087   52.432   1.1172 -2.940437 1.797919 
1 1 1    2   12    3 o  116.449   1.4568  1857.12   46.455  1874.50   60.980  1833.08   71.712  116.983   1.9036  115.673   2.2640 1.309593 2.957905 
1 1 1    2   12    4 o   86.975   1.0065  1035.88   23.972  1002.45   37.414  1059.16   31.222   85.552   1.5971   87.943   1.2965 -2.391571 2.057045 
1 1 1    2   12    5 o   88.379   1.0438  1069.62   25.260  1003.33   38.734  1118.68   33.321   85.586   1.6527   90.378   1.3464 -4.792290 2.131721 
1 1 1    2   12    6 o   34.537   0.9997  163.349   9.4543  175.266   14.497  154.530   12.471   35.771   1.4800   33.590   1.3559 2.181568 2.007160 
1 1 1    2   12    7 o  173.353   1.4289  4116.47   67.829  3972.01   92.347  4285.72   99.954  170.248   1.9808  176.836   2.0641 -6.588547 2.860847 
1 1 1    2   12    8 o  111.848   1.1548  1713.51   35.369  1678.30   52.537  1742.69   47.832  110.667   1.7336  112.780   1.5488 -2.112862 2.324721 
1 1 1    2   12    9 o   42.155   0.8989  243.378   10.377  257.581   15.560  232.003   13.925   43.360   1.3105   41.152   1.2357 2.207676 1.801209 
1 1 1    2   12   10 o  146.146   1.3815  2927.07   55.286  2849.85   75.289  3017.43   81.445  144.146   1.9074  148.310   2.0054 -4.163925 2.767655 
1 1 1    2   12   11 o   96.905   0.9509  1286.40   25.233  1312.70   37.479  1264.60   34.127   97.861   1.3986   96.058   1.2974 1.802162 1.907688 
1 1 1    2   12   12 o   64.504   0.8810  569.961   15.561  571.584   22.504  568.474   21.541   64.579   1.2726   64.406   1.2214 0.1734085 1.763864 
1 1 1    2   12   13 o   36.732   1.0656  184.873   10.718  207.211   21.521  177.505   12.360   38.795   2.0329   35.987   1.2542 2.808498 2.388623 
1 1 1    2   12   14 o   46.336   0.8415  294.129   10.678  298.424   15.246  289.993   14.959   46.661   1.1932   45.997   1.1876 0.6636200 1.683501 
1 1 1    2   12   15 o   88.440   1.0344  1071.92   25.051  1082.79   39.129  1064.38   32.610   88.827   1.6086   88.098   1.3518 0.7291718 2.101189 
1 1 1    2   12   16 o   63.132   0.9202  546.197   15.909  533.984   23.649  556.291   21.501   62.388   1.3843   63.691   1.2328 -1.302982 1.853661 
1 1 1    2   12   17 o   59.524   0.9721  485.665   15.845  496.493   21.226  472.038   23.813   60.157   1.2885   58.638   1.4830 1.519394 1.964576 
1 1 1    2   12   18 o   52.836   1.0603  382.839   15.341  411.351   20.654  347.752   22.912   54.738   1.3779   50.298   1.6635 4.440090 2.160067 
1 1 1    2   12   19 o   73.941   1.0274  749.859   20.803  744.040   27.767  757.303   31.408   73.602   1.3777   74.225   1.5452 -0.6232834 2.070218 
1 1 1    2   12   20 o   28.398   1.6518  111.375   12.790  111.246   19.363  111.475   17.035   28.220   2.5327   28.315   2.2147 -0.9524536E-01 3.364384 
1 1 1    2   12   21 f   32.119   1.5209  142.065   13.377  148.614   18.174  134.323   19.760   32.715   2.0389   31.025   2.3431 1.689938 3.105986 
1 1 1    2   12   22 o   25.683   1.8386   91.844   12.845   95.846   17.235   86.844   19.265   26.078   2.4420   24.664   2.9083 1.413507 3.797595 
1 1 1    2   12   23 o   25.227   2.0668   89.645   14.152  109.577   19.795   68.803   20.242   27.674   2.6443   21.480   3.5663 6.193123 4.439668 
1 1 1    2   12   24 o   22.186   2.1240   70.359   12.746   53.001   16.473   96.262   20.122   18.650   3.3486   25.530   2.9315 -6.879644 4.450486 
1 1 1    2   12   25 o   27.249   1.7031  105.230   12.644   98.046   16.430  115.663   19.801   25.914   2.3406   27.949   2.6177 -2.035112 3.511541 
1 1 1    2   12   26 o   14.856   3.0369   34.740   11.937   21.126   17.991   45.447   15.955   11.445   4.2730   16.632   3.6071 -5.186209 5.591933 
1 1 1    2   13    0 o   12.055   2.8912   23.026   8.2784   23.026   8.2784   23.026   8.2784   12.055   2.8912   12.055   2.8912 0.000000 0.000000 
1 1 1    2   13    1 o   18.302   1.1102   46.041   5.5376   33.588   7.3219   62.684   8.4645   15.560   1.7486   21.343   1.4570 -5.782645 2.276093 
1 1 1    2   13    2 o  104.565   1.3229  1497.54   37.879  1445.80   48.275  1580.41   61.099  102.731   1.7161  107.393   2.0776 -4.661995 2.694708 
1 1 1    2   13    3 f   28.753   1.3465  113.239   10.602  122.282   16.542  106.934   13.812   29.802   2.0392   27.878   1.8193 1.924728 2.732812 
1 1 1    2   13    4 o  200.270   1.9678  5496.47  107.916  5196.58  156.510  5768.28  148.999  194.621   2.9367  205.085   2.6531 -10.46443 3.957711 
1 1 1    2   13    5 o  105.254   1.2340  1517.47   35.567  1526.38   52.434  1509.88   48.406  105.538   1.8143  104.972   1.6840 0.5657120 2.475393 
1 1 1    2   13    6 o  107.268   1.3653  1576.40   40.104  1574.96   62.729  1577.39   52.154  107.173   2.1374  107.280   1.7754 -0.1070557 2.778590 
1 1 1    2   13    7 o   91.986   0.9481  1158.93   23.881  1141.06   32.596  1179.64   35.088   91.259   1.3043   92.786   1.3810 -1.526329 1.899597 
1 1 1    2   13    8 o  112.875   1.1013  1745.46   34.040  1734.90   47.303  1756.80   49.024  112.503   1.5354  113.207   1.5814 -0.7038269 2.204200 
1 1 1    2   13    9 o   63.374   0.8757  550.135   15.197  562.203   22.671  540.288   20.479   64.049   1.2926   62.793   1.1910 1.256310 1.757643 
1 1 1    2   13   10 o   57.138   0.7782  447.168   12.176  426.746   16.044  474.904   18.698   55.810   1.0498   58.870   1.1599 -3.060532 1.564417 
1 1 1    2   13   11 f   63.654   0.8734  555.040   15.223  546.159   18.896  571.464   25.697   63.134   1.0930   64.561   1.4535 -1.426964 1.818633 
1 1 1    2   13   12 o   95.896   0.9491  1259.90   24.924  1246.56   35.973  1272.20   34.563   95.353   1.3777   96.335   1.3102 -0.9816360 1.901248 
1 1 1    2   13   13 o   73.543   0.8948  740.990   18.019  764.898   28.160  724.413   23.448   74.687   1.3769   72.698   1.1779 1.988815 1.811938 
1 1 1    2   13   14 o   75.234   0.8674  775.514   17.871  775.387   25.758  775.632   24.815   75.200   1.2508   75.216   1.2048 -0.1573944E-01 1.736704 
1 1 1    2   13   15 o   58.301   0.9211  465.808   14.705  461.870   23.149  468.472   19.041   58.015   1.4571   58.450   1.1897 -0.4352150 1.881101 
1 1 1    2   13   16 o   60.960   0.9286  509.342   15.501  534.817   24.006  491.125   20.301   62.423   1.4044   59.835   1.2390 2.588150 1.872771 
1 1 1    2   13   17 o   18.362   2.2275   47.155   10.971   66.886   14.581   21.412   16.655   21.870   2.4784   12.608   4.1575 9.262227 4.840163 
1 1 1    2   13   18 o  100.861   1.3704  1397.12   37.851  1428.44   48.896  1350.29   59.791  101.886   1.7525   98.915   2.2074 2.971107 2.818522 
1 1 1    2   13   19 o   30.176   1.4723  125.191   12.166  125.544   18.190  124.905   16.365   30.059   2.2257   30.024   2.0019 0.3513908E-01 2.993536 
1 1 1    2   13   20 o   32.478   1.3841  145.089   12.310  129.649   17.549  160.046   17.271   30.539   2.1114   33.999   1.8622 -3.460100 2.815284 
1 1 1    2   13   21 o   8.9421   3.3749   8.5942   11.285   6.4825   15.769   10.811   16.156   9.5622   3.8732   10.355   4.0055 -0.7931385 5.571877 
1 1 1    2   13   22 o   59.706   1.0098  490.477   16.511  502.237   23.564  479.135   23.141   60.272   1.4277   58.866   1.4356 1.405651 2.024657 
1 1 1    2   13   23 o   30.797   1.5747  132.505   13.235  137.654   17.542  125.700   20.166   31.169   2.0670   29.540   2.5171 1.629148 3.256988 
1 1 1    2   13   24 o   9.8659   3.4070   14.308   11.185   28.878   15.962   0.2513   15.678   13.264   4.0349   8.2323   3.6146 5.032135 5.417193 
1 1 1    2   13   25 o   24.914   1.9704   89.574   13.333   93.157   16.573   83.001   22.448   25.072   2.4450   22.548   3.7687 2.524410 4.492326 
1 1 1    2   14    0 o   29.744   1.4193  121.998   11.500  121.998   11.500  121.998   11.500   29.744   1.4193   29.744   1.4193 0.000000 0.000000 
1 1 1    2   14    1 o   74.394   0.9058  757.976   18.453  765.742   26.270  750.411   25.928   74.763   1.2832   74.011   1.2793 0.7520981 1.811940 
1 1 1    2   14    2 o   13.272   2.2433   24.825   7.8620   14.135   14.320   29.438   9.4065   10.882   3.8482   14.446   2.4664 -3.564676 4.570766 
1 1 1    2   14    3 o  101.802   1.1077  1419.65   30.879  1334.67   46.357  1487.43   41.401   98.676   1.7156  104.187   1.4511 -5.510933 2.247014 
1 1 1    2   14    4 o  178.471   1.7679  4366.91   86.399  4353.13  132.750  4377.03  113.801  178.027   2.7231  178.591   2.3270 -0.5637817 3.581906 
1 1 1    2   14    5 o   83.738   1.0880  960.618   24.949  948.467   48.382  965.019   29.119   83.142   2.1251   83.922   1.2671 -0.7798996 2.474166 
1 1 1    2   14    6 o  130.386   1.3585  2329.96   48.503  2310.96   75.634  2343.23   63.212  129.760   2.1286  130.712   1.7660 -0.9521027 2.765791 
1 1 1    2   14    7 o   66.727   1.0685  610.027   19.523  619.037   45.286  607.969   21.637   67.122   2.4638   66.609   1.1863 0.5130005 2.734499 
1 1 1    2   14    8 o   65.256   0.7377  583.228   13.183  578.886   17.174  589.454   20.568   65.005   0.9648   65.588   1.1452 -0.5830688 1.497451 
1 1 1    2   14    9 o   29.226   0.7506  116.989   6.0071  130.774   9.1465  106.534   7.9659   30.894   1.0812   27.884   1.0432 3.009132 1.502425 
1 1 1    2   14   10 o   24.861   0.9201   84.677   6.2639   84.012   9.1788   85.257   8.5696   24.718   1.3613   24.908   1.2605 -0.1905823 1.855301 
1 1 1    2   14   11 o   91.300   0.9678  1142.12   24.196  1167.92   33.916  1115.39   34.530   92.295   1.3419   90.191   1.3981 2.104874 1.937912 
1 1 1    2   14   12 o   45.289   0.8004  280.987   9.9263  285.668   14.375  276.720   13.724   45.652   1.1499   44.933   1.1154 0.7192078 1.601967 
1 1 1    2   14   13 o   54.477   0.8098  406.592   12.080  388.733   17.026  424.691   17.141   53.249   1.1677   55.660   1.1246 -2.410950 1.621173 
1 1 1    2   14   14 o   27.874   1.2420  106.563   9.4800  113.667   15.040  101.880   12.211   28.690   1.9255   27.188   1.6480 1.502363 2.534473 
1 1 1    2   14   15 o   85.576   1.1048  1004.23   25.889  1034.23   46.447  990.710   31.183   86.701   1.9564   84.966   1.3402 1.734505 2.371397 
1 1 1    2   14   16 o   62.220   0.8968  530.675   15.279  541.224   22.298  521.337   20.979   62.795   1.2967   61.637   1.2430 1.158325 1.796217 
1 1 1    2   14   17 o   39.522   1.0767  214.270   11.652  211.198   16.563  217.281   16.396   39.198   1.5431   39.762   1.5059 -0.5642014 2.156074 
1 1 1    2   14   18 f   14.201   3.1369   29.195   11.873   22.659   14.857   40.746   19.750   12.664   3.9002   16.649   4.3015 -3.984639 5.806397 
1 1 1    2   14   19 o   22.855   1.8940   72.612   11.747   62.659   16.966   81.777   16.280   20.959   3.0452   24.137   2.4993 -3.177824 3.939495 
1 1 1    2   14   20 f   60.948   0.9794  510.168   16.346  537.606   23.514  484.509   22.739   62.472   1.3745   59.300   1.4003 3.172043 1.962225 
1 1 1    2   14   21 o   18.905   2.3642   50.898   11.971   63.229   18.553   42.101   15.670   20.726   3.3859   16.788   3.5209 3.938162 4.884776 
1 1 1    2   14   22 o   16.995   2.6237   42.205   11.817   50.097   17.486   35.570   16.033   18.066   3.6600   15.094   3.8628 2.971511 5.321323 
1 1 1    2   14   23 o   29.188   1.4869  119.403   11.845  128.774   16.728  109.979   16.775   30.010   2.0478   27.610   2.2380 2.400284 3.033509 
1 1 1    2   14   24 o   12.520   3.1601   24.879   10.835   35.751   15.489   14.463   15.161   14.651   3.8210   10.164   3.8936 4.487009 5.455269 
1 1 1    2   15    0 o   52.207   1.1092  373.808   15.841  373.808   15.841  373.808   15.841   52.207   1.1092   52.207   1.1092 0.000000 0.000000 
1 1 1    2   15    1 o   84.057   0.9020  967.849   20.762  953.685   29.124  982.487   29.607   83.421   1.2749   84.671   1.2769 -1.250198 1.804440 
1 1 1    2   15    2 o  170.148   1.9898  3972.72   92.711  3824.65  140.751  4086.20  123.218  166.685   3.0837  172.421   2.6097 -5.736633 4.039750 
1 1 1    2   15    3 o  163.562   1.6353  3668.59   73.243  3607.88  111.691  3714.39   97.016  162.031   2.5173  164.486   2.1539 -2.455215 3.312986 
1 1 1    2   15    4 o  164.186   1.9324  3699.08   86.879  3547.09  131.569  3816.60  115.688  160.528   2.9931  166.640   2.5353 -6.111862 3.922487 
1 1 1    2   15    5 o   90.269   1.1389  1116.56   28.152  1055.69   52.942  1140.56   33.241   87.679   2.2050   91.221   1.3307 -3.541939 2.575479 
1 1 1    2   15    6 o   53.682   0.9120  394.776   13.407  361.472   22.628  412.792   16.643   51.340   1.6095   54.887   1.1073 -3.547089 1.953651 
1 1 1    2   15    7 o   48.949   1.0613  328.295   14.225  280.074   31.683  340.469   15.920   45.056   2.5786   49.844   1.1664 -4.787708 2.830140 
1 1 1    2   15    8 o   44.037   1.2332  265.806   14.871  241.475   22.190  285.639   20.035   41.941   1.9321   45.634   1.6033 -3.693039 2.510706 
1 1 1    2   15    9 o   32.689   1.0386  146.426   9.2973  144.985   11.575  149.046   15.608   32.520   1.2998   32.910   1.7380 -0.3899460 2.170320 
1 1 1    2   15   10 o   45.170   0.7391  279.489   9.1418  279.172   12.912  279.807   12.945   45.134   1.0447   45.186   1.0462 -0.5120087E-01 1.478499 
1 1 1    2   15   11 o   36.894   0.8033  186.482   8.1153  188.064   11.763  185.046   11.210   37.038   1.1598   36.742   1.1142 0.2966957 1.608290 
1 1 1    2   15   12 o   29.537   1.1445  119.615   9.2567  122.988   12.172  114.989   14.255   29.936   1.4848   28.874   1.8122 1.062466 2.342775 
1 1 1    2   15   13 o   60.854   0.8214  507.448   13.689  490.473   19.188  525.041   19.534   59.803   1.1717   61.876   1.1529 -2.073166 1.643770 
1 1 1    2   15   14 o   74.581   0.8940  762.394   18.257  791.703   26.593  736.263   25.110   75.959   1.2785   73.254   1.2518 2.704506 1.789288 
1 1 1    2   15   15 o   65.792   1.0317  593.629   18.587  662.906   35.171  566.783   21.894   69.400   1.8507   64.264   1.2441 5.136620 2.229995 
1 1 1    2   15   16 o   39.347   1.0707  212.384   11.536  215.147   15.557  209.009   17.194   39.571   1.4357   38.985   1.6106 0.5861778 2.157622 
1 1 1    2   15   17 o   49.456   0.9636  335.500   13.050  356.769   18.845  315.904   18.088   50.955   1.3506   47.944   1.3777 3.010422 1.929303 
1 1 1    2   15   18 o   37.324   1.2737  191.497   13.018  196.202   16.710  184.230   20.766   37.735   1.6171   36.430   2.0904 1.304726 2.642890 
1 1 1    2   15   19 o   10.139   3.4487   13.715   11.450   17.936   15.476   8.6093   17.020   11.588   4.0072   10.165   4.0565 1.422518 5.702005 
1 1 1    2   15   20 o   8.4174   3.1287   8.1230   9.6248   9.2601   14.511   7.2297   12.861   9.6722   3.7807   8.9572   3.5414 0.7150278 5.180276 
1 1 1    2   15   21 o   12.003   3.3297   21.863   11.329   28.179   17.097   16.920   15.125   13.469   4.1899   11.054   3.9501 2.414593 5.758327 
1 1 1    2   15   22 o   26.359   1.5595   97.598   11.206   98.294   15.710   96.878   15.990   26.122   2.2172   25.897   2.2779 0.2251320 3.178827 
1 1 1    2   15   23 o   19.529   2.2407   55.879   11.766   55.825   18.541   55.915   15.224   18.473   3.7924   19.055   3.0184 -0.5821762 4.846972 
1 1 1    2   16    0 o   14.341   2.3867   30.438   8.5919   30.438   8.5919   30.438   8.5919   14.341   2.3867   14.341   2.3867 0.000000 0.000000 
1 1 1    2   16    1 o   83.710   0.9422  959.985   21.598  937.826   31.202  980.370   29.927   82.711   1.3776   84.573   1.2922 -1.861504 1.888845 
1 1 1    2   16    2 o  122.878   1.5549  2070.60   52.319  2037.58   67.617  2119.86   82.588  121.827   2.0269  124.190   2.4285 -2.362846 3.163198 
1 1 1    2   16    3 o  120.632   1.2718  1994.59   42.013  1936.06   64.881  2036.86   55.133  118.755   1.9952  121.858   1.6522 -3.102921 2.590464 
1 1 1    2   16    4 o  111.634   1.2032  1707.99   36.780  1655.88   57.281  1744.55   47.977  109.835   1.9045  112.785   1.5534 -2.949409 2.457687 
1 1 1    2   16    5 o   23.327   1.4066   74.883   8.9431   78.583   23.336   74.246   9.6824   23.557   3.7427   23.217   1.5316 0.3400936 4.043960 
1 1 1    2   16    6 o   83.209   1.1238  948.889   25.606  895.479   49.699  968.190   29.876   80.718   2.2485   84.038   1.2983 -3.319832 2.596382 
1 1 1    2   16    7 o   89.756   1.2550  1104.42   30.846  1111.52   48.059  1099.45   40.224   89.964   1.9508   89.514   1.6410 0.4497681 2.549217 
1 1 1    2   16    8 o   56.609   1.2024  439.315   18.640  447.707   28.249  432.843   24.806   57.102   1.8066   56.162   1.6130 0.9398422 2.421839 
1 1 1    2   16    9 o   48.874   1.0423  327.383   13.949  322.773   18.557  333.373   21.152   48.508   1.3970   49.287   1.5672 -0.7783356 2.099470 
1 1 1    2   16   10 o   67.446   0.7984  623.244   14.745  616.537   19.782  631.630   22.120   67.063   1.0772   67.870   1.1902 -0.8067551 1.605256 
1 1 1    2   16   11 o  127.560   1.2665  2232.03   44.238  2335.42   63.286  2133.24   61.861  130.364   1.7728  124.583   1.8133 5.780952 2.535931 
1 1 1    2   16   12 o   71.658   0.8893  703.776   17.451  711.185   26.657  698.219   23.085   71.986   1.3523   71.347   1.1816 0.6393661 1.795773 
1 1 1    2   16   13 o   66.187   0.8377  600.411   15.182  584.506   21.122  617.414   21.838   65.272   1.1817   67.084   1.1888 -1.811485 1.676210 
1 1 1    2   16   14 o   46.283   0.9224  293.693   11.691  304.789   17.844  285.346   15.475   47.109   1.3832   45.596   1.2394 1.513622 1.857264 
1 1 1    2   16   15 o   41.712   1.1679  238.797   13.340  229.904   28.567  241.277   15.086   40.658   2.5792   41.914   1.3144 -1.256062 2.894760 
1 1 1    2   16   16 o   26.622   1.3767   97.678   10.002  112.360   13.847   81.658   14.464   28.498   1.7833   24.201   2.2067 4.296293 2.837239 
1 1 1    2   16   17 o   18.306   1.9460   46.837   9.6051   37.741   13.309   56.727   13.877   16.142   3.1237   20.023   2.5916 -3.880808 4.058796 
1 1 1    2   16   18 o   23.357   1.6009   75.702   10.177   75.787   13.382   75.586   15.673   23.253   2.1251   23.115   2.5168 0.1375122 3.293998 
1 1 1    2   16   19 o   17.795   2.1722   44.939   10.365   47.472   13.799   41.661   15.701   18.067   2.8863   16.671   3.5484 1.396202 4.574098 
1 1 1    2   16   20 o   32.549   1.2392  146.579   11.046  125.661   15.204  169.959   16.074   29.888   1.8671   34.897   1.6821 -5.009676 2.513010 
1 1 1    2   16   21 o   21.524   2.0493   66.441   11.933   57.406   20.178   71.301   14.798   18.837   4.0335   22.073   2.4919 -3.236227 4.741142 
1 1 1    2   16   22 o   13.962   2.9872   30.333   11.076   51.340   17.940   17.394   14.079   17.684   3.8165   10.666   3.8111 7.017791 5.393505 
1 1 1    2   16   23 o   14.913   2.9324   34.771   11.548   47.325   18.490   26.742   14.787   16.548   4.1010   12.550   3.8954 3.998469 5.656186 
1 1 1    2   17    0 o   16.937   2.0932   41.104   9.3099   41.104   9.3099   41.104   9.3099   16.937   2.0932   16.937   2.0932 0.000000 0.000000 
1 1 1    2   17    1 o   72.228   0.8226  714.663   16.270  718.659   25.557  711.940   21.097   72.401   1.2891   72.077   1.0689 0.3244247 1.674587 
1 1 1    2   17    2 o   31.568   1.2777  136.624   11.045  130.065   18.352  140.349   13.830   30.684   2.1987   31.984   1.5790 -1.300846 2.706973 
1 1 1    2   17    3 o   89.096   1.2110  1088.19   29.545  1070.78   45.637  1100.75   38.764   88.304   1.8873   89.570   1.5804 -1.266685 2.461666 
1 1 1    2   17    4 o   40.611   1.1811  226.082   13.134  199.835   20.590  244.088   17.054   38.089   1.9810   42.183   1.4764 -4.094414 2.470633 
1 1 1    2   17    5 o   20.912   2.0499   60.675   11.588   47.023   18.883   68.923   14.677   18.066   3.9289   22.244   2.4502 -4.177547 4.630270 
1 1 1    2   17    6 o   40.832   1.4274  228.715   15.959  226.631   31.683  229.424   18.474   40.425   2.8810   40.881   1.6503 -0.4566383 3.320173 
1 1 1    2   17    7 o   53.302   1.1845  389.562   17.289  409.445   27.721  376.905   22.118   54.588   1.8545   52.403   1.5414 2.185524 2.411408 
1 1 1    2   17    8 o   94.493   1.3254  1224.90   34.296  1288.42   55.131  1184.80   43.803   96.775   2.0804   92.871   1.7224 3.903526 2.700851 
1 1 1    2   17    9 o   31.427   1.4390  135.559   12.383  106.832   22.899  147.433   14.722   27.612   3.0810   32.721   1.6484 -5.108509 3.494205 
1 1 1    2   17   10 o   57.399   0.7944  451.467   12.487  444.410   15.371  465.162   21.411   56.936   0.9859   58.219   1.3430 -1.282757 1.666045 
1 1 1    2   17   11 o   51.779   0.7563  367.388   10.723  351.675   14.938  384.096   15.403   50.638   1.0772   52.922   1.0629 -2.283844 1.513322 
1 1 1    2   17   12 o   16.676   1.5036   38.516   6.7921   62.366   10.549   21.626   8.8772   21.208   1.8344   12.262   2.7155 8.946694 3.277022 
1 1 1    2   17   13 o   58.491   1.0772  469.357   17.253  477.630   24.411  461.100   24.388   58.948   1.5123   57.915   1.5378 1.032864 2.156811 
1 1 1    2   17   14 o   71.200   1.0467  695.572   20.409  689.177   27.428  703.504   30.547   70.810   1.4145   71.512   1.5599 -0.7023697 2.105763 
1 1 1    2   17   15 o   47.223   1.0230  306.061   13.228  311.415   21.645  302.869   16.713   47.541   1.6627   46.941   1.3002 0.5992737 2.110661 
1 1 1    2   17   16 o   55.245   0.8867  418.812   13.414  415.547   18.712  422.264   19.240   54.969   1.2431   55.407   1.2681 -0.4375725 1.775774 
1 1 1    2   17   17 o   14.896   2.1891   31.554   8.6631   39.622   12.464   24.014   12.050   16.542   2.8546   12.741   3.3931 3.801007 4.434144 
1 1 1    2   17   18 o   6.9283   2.9105   1.5630   9.3499 -17.4168   15.705   11.984   11.637   6.6845   3.1736   9.6531   3.4631 -2.968646 4.697312 
1 1 1    2   17   19 o   26.795   1.4443  100.077   10.559  114.212   18.816   93.580   12.756   28.172   2.4639   25.775   1.8190 2.396992 3.062618 
1 1 1    2   17   20 o   16.082   2.1274   37.508   9.1385   53.309   13.829   25.257   12.176   18.897   2.7532   12.652   3.4289 6.245864 4.397438 
1 1 1    2   17   21 f   10.327   3.0806   16.651   9.3715   3.5892   13.737   28.020   12.817   8.1640   3.4828   13.141   3.4995 -4.976548 4.937236 
1 1 1    2   18    0 o  102.462   1.5416  1440.15   43.232  1440.15   43.232  1440.15   43.232  102.462   1.5416  102.462   1.5416 0.000000 0.000000 
1 1 1    2   18    1 o   10.629   1.2840   15.719   3.6613   18.904   4.1841   5.3085   7.5642   11.664   1.3340   7.3098   2.7620 4.354043 3.067317 
1 1 1    2   18    2 o   50.731   0.9300  352.700   12.920  340.445   24.182  357.595   15.284   49.783   1.7739   51.073   1.0928 -1.290688 2.083498 
1 1 1    2   18    3 o   69.894   1.1259  669.787   21.548  697.115   34.357  652.066   27.666   71.236   1.7613   68.931   1.4657 2.304779 2.291367 
1 1 1    2   18    4 o   38.696   1.4274  205.486   15.125  185.691   29.926  212.278   17.529   36.521   3.0194   39.317   1.6281 -2.796013 3.430374 
1 1 1    2   18    5 o   28.066   1.9020  108.796   14.531  129.217   33.204  103.959   16.161   30.160   4.1289   27.395   2.1721 2.764578 4.665382 
1 1 1    2   18    6 o   53.070   1.1991  386.287   17.426  370.592   27.450  396.882   22.553   51.908   1.9312   53.763   1.5319 -1.854645 2.464996 
1 1 1    2   18    7 o   16.360   3.1544   38.335   13.620   19.585   22.363   49.390   17.171   13.039   4.7829   18.553   3.5084 -5.514593 5.931715 
1 1 1    2   18    8 o   66.959   1.4943  615.759   27.399  658.287   36.566  561.317   41.372   69.162   1.9307   63.783   2.3687 5.379135 3.055928 
1 1 1    2   18    9 o   62.902   1.3687  543.249   23.576  571.742   34.475  518.218   32.313   64.437   1.9538   61.352   1.9234 3.084885 2.741652 
1 1 1    2   18   10 o   64.932   1.1320  578.451   20.128  567.750   35.163  583.666   24.548   64.190   2.0005   65.192   1.3751 -1.002831 2.427495 
1 1 1    2   18   11 o   78.454   1.0255  844.264   22.031  853.639   29.740  832.862   32.797   78.831   1.3777   77.835   1.5388 0.9966202 2.065380 
1 1 1    2   18   12 o   52.153   0.7841  372.841   11.197  377.660   16.323  368.556   15.389   52.455   1.1364   51.824   1.0844 0.6303406 1.570749 
1 1 1    2   18   13 o   53.089   0.8788  386.548   12.775  374.068   18.519  397.879   17.646   52.173   1.2962   53.822   1.1973 -1.649429 1.764558 
1 1 1    2   18   14 o   49.045   0.8567  329.979   11.506  309.427   16.009  351.935   16.547   47.444   1.2323   50.604   1.1941 -3.160145 1.715897 
1 1 1    2   18   15 o   48.215   1.1709  319.769   15.459  284.925   29.190  333.351   18.224   45.132   2.3702   49.190   1.3530 -4.058304 2.729147 
1 1 1    2   18   16 o   24.893   1.4594   85.922   9.9048   44.248   18.737  102.084   11.668   17.055   4.0688   27.113   1.5784 -10.05783 4.364212 
1 1 1    2   18   17 o   9.4402   2.7489   13.036   7.5379   24.121   10.543   1.4438   10.782   12.685   3.0685   7.3281   3.1044 5.356996 4.364977 
1 1 1    2   18   18 o   15.092   2.1039   32.837   8.4581   44.149   12.602   23.564   11.410   17.262   2.7589   12.365   3.3059 4.897047 4.305874 
1 1 1    2   18   19 o   31.599   1.3647  139.346   11.809  179.411   15.016   74.399   19.118   35.767   1.5331   21.961   3.2796 13.80546 3.620254 
1 1 1    2   18   20 o   6.9139   2.9789   1.1777   10.234   12.318   14.626  -9.5075   14.324   9.7086   3.7955   6.7383   3.1461 2.970262 4.929858 
1 1 1    2   19    0 o   17.439   1.6988   42.889   7.9357   42.889   7.9357   42.889   7.9357   17.439   1.6988   17.439   1.6988 0.000000 0.000000 
1 1 1    2   19    1 o   33.272   0.8485  151.715   7.7310  133.211   11.140  168.907   10.738   31.157   1.3057   35.095   1.1173 -3.937567 1.718495 
1 1 1    2   19    2 o   67.266   1.1754  620.648   21.650  644.542   34.369  604.929   27.876   68.458   1.8334   66.366   1.5339 2.092720 2.390422 
1 1 1    2   19    3 o   26.893   1.3307   99.260   9.7997   75.405   21.875  105.250   10.961   23.008   3.5892   27.648   1.4529 -4.639893 3.872065 
1 1 1    2   19    4 o   33.534   1.9423  155.292   17.760   0.0000   0.0000  155.292   17.760  ?   ?    33.534   1.9423 0.000000 1.942334 
1 1 1    2   19    5 o   19.433   2.6130   53.129   13.552   63.780   23.305   47.688   16.658   20.962   4.2063   18.214   3.4665 2.747684 5.450706 
1 1 1    2   19    6 o   92.979   1.3294  1186.90   33.849  1172.96   52.531  1196.79   44.262   92.251   2.0795   93.278   1.7329 -1.026649 2.706872 
1 1 1    2   19    7 o   29.538   1.8979  120.638   15.270  103.958   24.918  130.670   19.324   27.096   3.4354   30.676   2.3176 -3.579563 4.144068 
1 1 1    2   19    8 o   56.318   2.0449  437.335   31.536  437.335   31.536   0.0000   0.0000   56.318   2.0449  ?   ?  0.000000 2.044887 
1 1 1    2   19    9 o   55.445   1.1368  421.899   17.260  381.443   30.951  440.157   20.793   52.561   2.1504   56.606   1.3414 -4.045177 2.534515 
1 1 1    2   19   10 o   8.7042   3.4208   6.3444   11.933   33.883   24.960  -1.8150   13.586   15.537   5.0879   7.8327   3.4034 7.703906 6.121246 
1 1 1    2   19   11 o   47.362   1.3665  308.427   17.723  271.091   38.453  318.497   19.971   43.876   3.2230   48.106   1.5160 -4.230556 3.561782 
1 1 1    2   19   12 o   44.691   1.0165  274.209   12.440  251.664   16.233  306.290   19.364   42.764   1.3862   47.157   1.4995 -4.393078 2.042095 
1 1 1    2   19   13 o   29.170   0.8906  116.803   7.1136   98.986   10.654  131.137   9.5560   26.756   1.4596   30.883   1.1299 -4.127758 1.845875 
1 1 1    2   19   14 o   23.166   1.3961   74.325   8.8149   82.861   10.928   58.420   14.915   24.412   1.6442   20.171   2.7737 4.241467 3.224433 
1 1 1    2   19   15 o   26.854   1.0311   99.300   7.5826   95.016   10.418  104.124   11.057   26.155   1.4605   27.378   1.4803 -1.223307 2.079526 
1 1 1    2   19   16 o   17.493   1.6554   43.062   7.8355   41.790   10.107   44.978   12.404   17.050   2.2173   17.522   2.6696 -0.4712029 3.470295 
1 1 1    2   19   17 o   12.090   2.3528   21.636   7.5090   28.710   10.772   14.948   10.473   13.725   2.9535   10.030   3.2963 3.695024 4.425934 
1 1 1    2   19   18 o   15.356   1.9367   34.077   7.9627   26.903   11.360   41.007   11.165   13.063   3.2008   16.576   2.5407 -3.512591 4.086557 
1 1 1    2   19   19 o   8.2285   2.9600   9.4022   8.5068   12.569   11.290   5.2428   12.939   9.3354   3.4023   8.2051   3.4340 1.130280 4.834057 
1 1 1    2   20    0 o   23.860   1.3176   78.768   8.5491   78.768   8.5491   78.768   8.5491   23.860   1.3176   23.860   1.3176 0.000000 0.000000 
1 1 1    2   20    1 o   34.096   0.7677  159.322   7.1681  161.249   8.3850  154.093   13.815   34.295   0.8929   33.485   1.5067 0.8101349 1.751373 
1 1 1    2   20    2 f   77.576   1.0685  825.554   22.698  820.148   39.572  828.204   27.709   77.170   1.8726   77.665   1.3029 -0.4949951 2.281273 
1 1 1    2   20    3 o   31.640   1.2289  137.421   10.648  125.016   23.471  140.635   11.948   29.869   2.9063   31.999   1.3636 -2.129543 3.210301 
1 1 1    2   20    4 o   45.539   1.2287  284.680   15.322   0.0000   0.0000  284.680   15.322  ?   ?    45.539   1.2287 0.000000 1.228710 
1 1 1    2   20    5 o   41.098   1.4317  232.118   16.113  217.392   26.318  240.947   20.378   39.561   2.4413   41.830   1.7790 -2.269447 3.020765 
1 1 1    2   20    6 o   32.714   1.7603  147.812   15.711  114.184   25.982  167.197   19.726   28.375   3.4122   34.741   2.0831 -6.365255 3.997815 
1 1 1    2   20    7 o   43.195   1.4407  256.539   17.041  229.680   26.818  274.727   22.069   40.646   2.4204   44.646   1.8051 -4.000050 3.019349 
1 1 1    2   20    8 o   44.723   1.4066  275.064   17.227  253.309   28.076  288.198   21.816   42.671   2.4127   45.725   1.7423 -3.053665 2.976017 
1 1 1    2   20    9 o   54.835   1.1424  413.042   17.154  411.340   31.387  413.767   20.484   54.510   2.1027   54.845   1.3639 -0.3349686 2.506312 
1 1 1    2   20   10 o   12.632   3.3671   23.350   11.859 -14.7523   23.948   35.728   13.650   9.1605   4.2026   15.636   3.2920 -6.475875 5.338416 
1 1 1    2   20   11 o   32.439   1.5061  145.209   13.379  151.819   26.034  142.837   15.595   32.692   2.9395   32.075   1.7826 0.6176720 3.437826 
1 1 1    2   20   12 o   23.934   2.0994   80.455   13.620   83.443   37.780   80.009   14.602   22.617   6.0009   23.818   2.2662 -1.200520 6.414573 
1 1 1    2   20   13 o   5.8385   2.5095  -0.1675   7.2288   0.1528   7.7376  -2.3659   20.270   6.0975   2.6079   9.2756   4.0901 -3.178061 4.850760 
1 1 1    2   20   14 o   20.131   1.1212   56.127   6.1561   36.577   9.0455   72.995   8.4022   15.978   2.1198   22.912   1.3451 -6.934381 2.510513 
1 1 1    2   20   15 f   14.899   2.1537   32.160   8.5319   35.554   10.379   25.091   14.982   15.529   2.5278   12.610   3.9221 2.918648 4.666091 
1 1 1    2   20   16 o   11.292   2.6687   19.424   8.1216   8.6679   12.238   27.888   10.857   8.7839   3.4604   13.419   3.0267 -4.634729 4.597295 
1 1 1    2   20   17 o   8.0089   2.8814   8.7382   8.0615   3.3455   13.225   11.927   10.169   8.0075   3.4167   9.1008   3.2403 -1.093243 4.708838 
1 1 1    2   20   18 o   5.7485   2.5103  -0.3371   7.4701  -1.8675   10.623   1.1598   10.506   6.5320   2.9159   6.9530   3.0070 -0.4210281 4.188578 
1 1 1    2   21    0 o   52.471   1.3916  378.543   19.964  378.543   19.964  378.543   19.964   52.471   1.3916   52.471   1.3916 0.000000 0.000000 
1 1 1    2   21    1 o   59.971   0.8694  493.232   14.278  494.696   17.629  490.439   24.344   60.035   1.0723   59.708   1.4889 0.3272171 1.834853 
1 1 1    2   21    2 o   47.400   1.0449  308.356   13.563  279.818   28.746  316.529   15.383   44.878   2.3473   48.009   1.1701 -3.131577 2.622799 
1 1 1    2   21    3 o   31.555   1.5587  137.082   13.469  137.502   45.483  137.042   14.101   30.190   5.7108   31.499   1.6405 -1.309191 5.941786 
1 1 1    2   21    4 o   26.210   1.4802   94.844   10.580   97.597   30.890   94.478   11.261   25.745   4.5479   26.144   1.5804 -0.3989124 4.814631 
1 1 1    2   21    5 o   29.999   1.3908  123.822   11.425  146.126   32.836  120.750   12.187   31.875   3.8392   29.574   1.5099 2.301138 4.125464 
1 1 1    2   21    6 f   7.2615   3.0058   2.2208   9.7585 -18.8918   24.474   6.2120   10.641   8.9686   4.1621   8.3130   3.2409 0.6555719 5.275050 
1 1 1    2   21    7 o   43.425   1.1938  259.317   14.195  278.568   28.118  252.732   16.445   44.688   2.3056   42.835   1.4020 1.852573 2.698426 
1 1 1    2   21    8 o   23.340   1.8001   75.862   11.416   60.215   24.121   80.378   12.960   19.919   4.5251   23.985   1.9912 -4.065416 4.943788 
1 1 1    2   21    9 o   25.604   2.3544   92.475   16.322   75.556   24.587  105.808   21.826   22.433   4.1554   27.173   2.9823 -4.739321 5.114839 
1 1 1    2   21   10 o   6.3253   2.9208  -8.5581   11.833 -27.5682   30.070  -5.0746   12.872   9.3925   4.4391   7.0714   3.1792 2.321148 5.460151 
1 1 1    2   21   11 o   14.208   3.0081   30.048   11.339   45.818   23.811   25.424   12.894   16.887   4.8766   12.945   3.5370 3.941807 6.024265 
1 1 1    2   21   12 o   30.945   1.6553  134.021   13.976  176.868   40.957  128.374   14.868   33.340   4.6095   30.222   1.8048 3.117531 4.950235 
1 1 1    2   21   13 o   11.034   3.4713   18.576   11.698   24.988   22.740   16.268   13.642   12.861   4.8035   10.622   3.7561 2.239163 6.097699 
1 1 1    2   21   14 o   20.061   1.5366   56.746   8.3770   52.077   9.7034   70.411   16.599   19.075   1.8823   21.635   2.8728 -2.560463 3.434485 
1 1 1    2   21   15 o   25.114   1.3192   88.345   9.0405   91.320   11.166   82.681   15.404   25.394   1.6140   23.685   2.4086 1.709593 2.899412 
1 1 1    2   21   16 o   7.5093   2.9876   5.8746   9.2062   9.9417   11.804  -0.4411   14.710   8.8315   3.4216   7.7843   3.4557 1.047219 4.863043 
1 1 1    2   22    0 o   2.6911   1.8545  -3.3967   4.5360  -3.3967   4.5360  -3.3967   4.5360   2.6911   1.8545   2.6911   1.8545 0.000000 0.000000 
1 1 1    2   22    1 o   36.310   0.9487  181.072   9.4328  195.012   12.550  162.967   14.302   37.644   1.2174   34.364   1.5198 3.280167 1.947281 
1 1 1    2   22    2 o   15.036   2.4768   32.393   9.8425   45.555   19.582   27.944   11.385   17.394   4.1661   13.800   3.0897 3.594172 5.186797 
1 1 1    2   22    3 f   12.927   2.6704   24.288   9.1403 -20.6164   25.256   31.057   9.8050   8.9441   4.1765   14.697   2.5275 -5.752488 4.881722 
1 1 1    2   22    4 o   22.013   3.1733   70.158   18.576   25.595   19.336  603.866   66.917   13.384   4.4820   64.537   3.8033 -51.15289 5.878234 
1 1 1    2   22    5 o   32.178   1.4758  143.052   13.004  161.427   26.711  137.344   14.887   33.626   2.9301   31.429   1.7366 2.197178 3.406077 
1 1 1    2   22    6 o   10.746   3.1856   16.858   10.044   37.359   24.471   12.704   11.015   15.607   5.0327   9.7611   3.3803 5.845573 6.062614 
1 1 1    2   22    7 o   21.019   2.2990   62.833   13.017   53.963   24.660   66.259   15.326   18.420   4.8297   21.457   2.6657 -3.037369 5.516468 
1 1 1    2   22    8 o   16.989   2.4192   41.613   10.937   47.145   24.056   40.171   12.279   17.084   4.8924   16.547   2.8105 0.5373039 5.642190 
1 1 1    2   22    9 o   17.523   2.4143   44.445   11.277   40.721   23.028   45.620   12.934   15.781   4.8550   17.611   2.7738 -1.829705 5.591543 
1 1 1    2   22   10 o   21.752   2.1208   67.704   12.472   78.113   29.938   65.519   13.718   21.335   5.1770   21.270   2.3971 0.6526184E-01 5.705073 
1 1 1    2   22   11 o   28.725   1.6652  116.276   13.042  138.260   40.445  113.725   13.778   27.878   5.4933   28.348   1.7840 -0.4693604 5.775672 
1 1 1    2   22   12 o   6.8453   3.0037  -0.6271   10.810  -2.5856   21.415   0.0426   12.523   9.0555   4.0832   7.4167   3.2441 1.638794 5.215063 
1 1 1    2   22   13 o   31.058   1.6737  136.833   14.182   90.630   29.265  151.014   16.213   22.495   4.8903   32.524   1.8278 -10.02879 5.220764 
1 1 1    2   22   14 o   12.319   3.4960   24.896   12.341   44.476   28.568   20.404   13.683   14.969   5.4189   11.199   3.7703 3.770252 6.601419 
1 1 1    2   23    0 o   14.053   1.3683   27.943   5.1506   27.943   5.1506   27.943   5.1506   14.053   1.3683   14.053   1.3683 0.000000 0.000000 
1 1 1    2   23    1 o   29.175   2.6178  122.151   20.691  122.151   20.691   0.0000   0.0000   29.175   2.6178  ?   ?  0.000000 2.617767 
1 1 1    2   23    2 o   23.864   1.5111   79.366   9.8237   29.640   22.666   90.867   10.901   13.978   4.8487   25.524   1.5672 -11.54601 5.095659 
1 1 1    2   23    3 o   24.738   1.4563   85.216   9.8216   48.649   19.315   97.968   11.406   17.625   4.0823   26.492   1.5795 -8.867043 4.377206 
1 1 1    2   23    4 o   20.446   2.2181   59.781   12.219   53.757   19.604   63.608   15.626   18.553   3.9782   20.841   2.8096 -2.288698 4.870359 
1 1 1    2   23    5 o   21.465   1.8302   65.083   10.655   70.136   24.881   63.948   11.791   20.836   4.4929   21.191   2.0579 -0.3550358 4.941772 
1 1 1    2   23    6 o   26.210   1.5931   96.316   11.380   71.225   24.496  103.221   12.851   20.950   4.4095   27.075   1.7425 -6.124975 4.741318 
1 1 1    2   23    7 o   17.452   2.4473   44.603   11.374   42.141   23.330   45.370   13.027   15.690   4.8966   17.423   2.8273 -1.732360 5.654222 
1 1 1    2   23    8 o   14.405   2.7632   31.349   10.503   17.901   21.907   35.363   11.968   11.596   4.6101   15.213   2.9794 -3.617253 5.489094 
1 1 1    2   23    9 o   12.454   3.1305   24.292   10.664   5.2448   20.392   31.462   12.511   9.6933   4.1906   14.120   3.2958 -4.426784 5.331355 
1 1 1    2   23   10 o   15.282   2.6482   35.325   10.680   47.531   21.126   31.134   12.379   16.425   4.5438   13.988   3.2873 2.436886 5.608225 
1 1 1    2   23   11 o   7.9304   3.2378   5.8002   11.124 -53.0204   36.786   11.720   11.670   8.6073   4.2546   9.2028   3.4403 -0.5954113 5.471535 
1 1 1    2   24    0 o   47.776   0.9213  314.191   12.043  314.191   12.043  314.191   12.043   47.776   0.9213   47.776   0.9213 0.000000 0.000000 
1 1 1    2   24    1 o   20.492   1.6985   59.524   9.4451   33.568   15.552   74.693   11.889   14.351   3.8693   22.868   1.9162 -8.517545 4.317773 
1 1 1    2   24    2 o   23.522   1.5064   77.799   9.6518   13.270   20.453   96.287   10.947   10.756   4.3908   26.165   1.5347 -15.40820 4.651247 
1 1 1    2   24    3 f   25.415   1.3701   90.421   9.4999   17.449   17.298  121.934   11.368   11.027   4.1744   29.539   1.4054 -18.51199 4.404584 
1 1 1    2   24    4 o   14.232   3.7856   33.126   15.010   19.553   21.513   46.003   20.953   11.683   4.5925   16.293   4.5316 -4.609923 6.451890 
1 1 1    2   24    5 o   23.170   1.5421   75.766   9.7286   37.954   17.378   93.025   11.741   15.003   4.1090   25.613   1.6834 -10.60994 4.440476 
1 1 1    2   24    6 o   17.129   2.2709   43.195   10.389   5.7063   20.034   56.985   12.151   9.6000   4.1520   19.692   2.2964 -10.09238 4.744748 
1 1 1    2   24    7 o   21.331   1.9591   65.698   11.316   72.317   20.907   62.956   13.457   21.050   3.7652   20.597   2.4330 0.4535313 4.482917 
1 1 1    2   24    8 o   21.325   1.8303   65.349   10.584   78.195   21.365   61.171   12.185   21.901   3.6938   20.406   2.2161 1.495104 4.307565 
1 1 1    2   25    0 o   31.443   0.9092  136.429   7.8139  136.429   7.8139  136.429   7.8139   31.443   0.9092   31.443   0.9092 0.000000 0.000000 
1 1 1    2   25    1 o   28.481   1.2178  113.209   9.4973   13.663   16.215  165.188   11.717   10.062   3.9770   34.389   1.2443 -24.32685 4.167147 
1 1 1    2   25    2 o   14.889   1.8469   32.120   7.3682   34.146   11.346   30.642   9.6894   14.805   2.9023   14.178   2.5911 0.6270170 3.890653 
1 1 1    3    0    1 o   17.747   1.4069   43.933   6.7383   43.933   6.7383   43.933   6.7383   17.747   1.4069   17.747   1.4069 0.000000 0.000000 
1 1 1    3    0    3 o  102.896   1.3908  1450.54   39.171  1450.54   39.171  1450.54   39.171  102.896   1.3908  102.896   1.3908 0.000000 0.000000 
1 1 1    3    0    4 o  562.285   7.1713 43419.08  1103.79 43419.08  1103.79 43419.08  1103.79  562.285   7.1713  562.285   7.1713 0.000000 0.000000 
1 1 1    3    0    5 o   16.752   1.4950   39.339   6.7325   39.339   6.7325   39.339   6.7325   16.752   1.4950   16.752   1.4950 0.000000 0.000000 
1 1 1    3    0    6 o   20.386   1.9080   58.395   10.437   58.395   10.437   58.395   10.437   20.386   1.9080   20.386   1.9080 0.000000 0.000000 
1 1 1    3    0    7 o  143.667   1.8895  2828.11   74.308  2828.11   74.308  2828.11   74.308  143.667   1.8895  143.667   1.8895 0.000000 0.000000 
1 1 1    3    0    8 o  115.206   1.7962  1818.84   56.633  1818.84   56.633  1818.84   56.633  115.206   1.7962  115.206   1.7962 0.000000 0.000000 
1 1 1    3    0    9 o  135.947   1.8056  2532.08   67.189  2532.08   67.189  2532.08   67.189  135.947   1.8056  135.947   1.8056 0.000000 0.000000 
1 1 1    3    0   10 o  210.832   2.7232  6090.50  157.159  6090.50  157.159  6090.50  157.159  210.832   2.7232  210.832   2.7232 0.000000 0.000000 
1 1 1    3    0   11 o  211.714   2.7358  6141.68  158.548  6141.68  158.548  6141.68  158.548  211.714   2.7358  211.714   2.7358 0.000000 0.000000 
1 1 1    3    0   12 o  177.079   2.3177  4296.45  112.344  4296.45  112.344  4296.45  112.344  177.079   2.3177  177.079   2.3177 0.000000 0.000000 
1 1 1    3    0   13 o  175.766   2.6643  4234.13  128.169  4234.13  128.169  4234.13  128.169  175.766   2.6643  175.766   2.6643 0.000000 0.000000 
1 1 1    3    0   14 o  186.053   2.4361  4743.57  124.069  4743.57  124.069  4743.57  124.069  186.053   2.4361  186.053   2.4361 0.000000 0.000000 
1 1 1    3    0   15 o  134.505   1.8358  2479.23   67.588  2479.23   67.588  2479.23   67.588  134.505   1.8358  134.505   1.8358 0.000000 0.000000 
1 1 1    3    0   16 o  180.519   2.3783  4468.02  117.519  4468.02  117.519  4468.02  117.519  180.519   2.3783  180.519   2.3783 0.000000 0.000000 
1 1 1    3    0   17 o  243.460   3.1501  8139.54  209.933  8139.54  209.933  8139.54  209.933  243.460   3.1501  243.460   3.1501 0.000000 0.000000 
1 1 1    3    0   18 o   31.676   1.6463  138.602   14.192  138.602   14.192  138.602   14.192   31.676   1.6463   31.676   1.6463 0.000000 0.000000 
1 1 1    3    0   19 o  109.616   1.5849  1647.62   47.550  1647.62   47.550  1647.62   47.550  109.616   1.5849  109.616   1.5849 0.000000 0.000000 
1 1 1    3    0   20 o   9.1496   4.8658   16.652   16.483   16.652   16.483   16.652   16.483   9.1496   4.8658   9.1496   4.8658 0.000000 0.000000 
1 1 1    3    0   21 o   34.059   1.8255  160.464   16.914  160.464   16.914  160.464   16.914   34.059   1.8255   34.059   1.8255 0.000000 0.000000 
1 1 1    3    0   22 o   38.544   1.7783  205.115   18.678  205.115   18.678  205.115   18.678   38.544   1.7783   38.544   1.7783 0.000000 0.000000 
1 1 1    3    0   23 o   96.050   1.5914  1266.71   41.832  1266.71   41.832  1266.71   41.832   96.050   1.5914   96.050   1.5914 0.000000 0.000000 
1 1 1    3    0   24 o   47.357   1.9551  309.723   25.256  309.723   25.256  309.723   25.256   47.357   1.9551   47.357   1.9551 0.000000 0.000000 
1 1 1    3    0   25 o   59.675   1.6018  490.176   26.133  490.176   26.133  490.176   26.133   59.675   1.6018   59.675   1.6018 0.000000 0.000000 
1 1 1    3    0   26 o   38.278   2.0094  203.752   20.930  203.752   20.930  203.752   20.930   38.278   2.0094   38.278   2.0094 0.000000 0.000000 
1 1 1    3    0   27 o   26.659   3.1682  104.058   22.267  104.058   22.267  104.058   22.267   26.659   3.1682   26.659   3.1682 0.000000 0.000000 
1 1 1    3    0   28 o   6.2609   4.1192  -0.7752   17.934  -0.7752   17.934  -0.7752   17.934   6.2609   4.1192   6.2609   4.1192 0.000000 0.000000 
1 1 1    3    0   29 o   7.5312   4.6441   9.7147   18.740   9.7147   18.740   9.7147   18.740   7.5312   4.6441   7.5312   4.6441 0.000000 0.000000 
1 1 1    3    1    0 o   12.429   1.3561   21.898   4.4760   21.898   4.4760   21.898   4.4760   12.429   1.3561   12.429   1.3561 0.000000 0.000000 
1 1 1    3    1    1 o  410.733   3.3104 23117.22  372.328 24191.30  551.281 22216.35  504.877  419.978   4.7935  402.500   4.5807 17.47818 6.630290 
1 1 1    3    1    2 o  147.270   1.1064  2969.83   44.619  2961.73   62.881  2978.05   63.322  147.062   1.5615  147.467   1.5681 -0.4044800 2.212936 
1 1 1    3    1    3 o  243.139   2.7794  8099.58  185.054  8165.77  294.925  8056.59  237.660  244.006   4.4139  242.440   3.5798 1.566513 5.683100 
1 1 1    3    1    4 o   26.777   0.6753   98.175   4.9514   99.274   7.1948   97.185   6.8247   26.926   0.9758   26.641   0.9355 0.2846317 1.351790 
1 1 1    3    1    5 f  287.568   2.5948 11332.12  204.333 11443.50  291.751 11224.89  286.267  288.853   3.6885  286.085   3.6541 2.767822 5.192073 
1 1 1    3    1    6 o   84.361   0.8473  974.519   19.574  974.657   27.695  974.381   27.668   84.363   1.1988   84.351   1.1978 0.1195526E-01 1.694703 
1 1 1    3    1    7 o   55.949   0.6988  428.622   10.706  441.446   15.444  416.758   14.855   56.778   0.9933   55.168   0.9833 1.610497 1.397706 
1 1 1    3    1    8 o  158.722   1.5664  3450.14   68.083  3431.10   89.576  3476.17  104.766  158.270   2.0668  159.295   2.4018 -1.024719 3.168621 
1 1 1    3    1    9 o  212.184   2.0672  6166.22  120.110  6151.74  183.056  6177.17  159.161  211.891   3.1549  212.348   2.7371 -0.4564514 4.176746 
1 1 1    3    1   10 o  260.436   2.3603  9290.04  168.329  9274.31  237.647  9305.87  238.460  260.169   3.3357  260.611   3.3414 -0.4420166 4.721448 
1 1 1    3    1   11 o  258.766   2.3460  9171.54  166.238  9191.05  235.613  9152.20  234.584  258.991   3.3222  258.444   3.3147 0.5474854 4.692978 
1 1 1    3    1   12 o  265.735   2.4092  9672.83  175.313  9668.50  247.805  9677.16  248.055  265.616   3.4070  265.735   3.4089 -0.1187439 4.819518 
1 1 1    3    1   13 o  244.649   2.5705  8199.84  172.207  8112.89  294.995  8244.79  212.098  243.204   4.4295  245.281   3.1578 -2.076340 5.439855 
1 1 1    3    1   14 o  104.327   1.1424  1490.45   32.638  1489.11   43.263  1492.23   49.720  104.274   1.5152  104.378   1.7395 -0.1048203 2.306869 
1 1 1    3    1   15 o   69.212   0.9150  655.988   17.341  642.145   24.303  670.346   24.752   68.473   1.2962   69.960   1.2920 -1.487450 1.830123 
1 1 1    3    1   16 o  209.973   2.2298  6046.16  128.208  6098.62  158.324  5946.21  218.511  210.797   2.7428  207.907   3.8381 2.889877 4.717401 
1 1 1    3    1   17 o   89.680   1.0497  1101.78   25.777  1102.04   39.376  1101.58   34.100   89.657   1.6038   89.653   1.3890 0.4035950E-02 2.121675 
1 1 1    3    1   18 o   75.596   0.9211  782.859   19.068  760.546   26.413  807.143   27.555   74.492   1.2949   76.739   1.3113 -2.247009 1.842870 
1 1 1    3    1   19 o   73.203   0.9205  734.138   18.451  757.269   26.561  712.566   25.650   74.325   1.3050   72.098   1.2992 2.226746 1.841475 
1 1 1    3    1   20 o   81.717   1.2338  915.468   27.610  918.251   36.189  911.592   42.707   81.803   1.6155   81.470   1.9143 0.3335266 2.504919 
1 1 1    3    1   21 o  145.932   1.5066  2922.79   60.204  2899.16   79.086  2955.37   92.842  145.212   1.9889  146.505   2.3142 -1.293320 3.051430 
1 1 1    3    1   22 o   62.794   1.0082  540.579   17.336  543.338   24.522  537.823   24.512   62.913   1.4234   62.592   1.4301 0.3208122 2.017720 
1 1 1    3    1   23 o   12.059   3.8822   19.926   14.565   24.240   17.973   11.673   24.860   13.290   4.3158   12.266   4.9001 1.024075 6.529741 
1 1 1    3    1   24 o   50.234   1.1655  346.388   16.032  369.214   23.242  325.668   22.143   51.798   1.6386   48.644   1.6624 3.153961 2.334166 
1 1 1    3    1   25 f   57.329   1.2193  451.661   19.142  457.191   29.582  447.678   25.106   57.533   1.8777   56.998   1.6085 0.5355644 2.472459 
1 1 1    3    1   26 o   39.137   1.4941  211.478   16.013  207.383   21.180  216.942   24.465   38.576   2.0120   39.361   2.2796 -0.7847099 3.040470 
1 1 1    3    1   28 o   15.943   3.0435   38.792   12.803   41.623   18.260   36.055   17.956   15.900   4.1496   14.761   4.2267 1.138431 5.923247 
1 1 1    3    1   29 o   27.071   1.9648  105.655   14.466   99.493   17.614  118.423   25.355   25.855   2.5199   27.305   3.4694 -1.449636 4.287942 
1 1 1    3    2    0 o  281.398   3.5964 10852.66  277.026 10852.66  277.026 10852.66  277.026  281.398   3.5964  281.398   3.5964 0.000000 0.000000 
1 1 1    3    2    1 o  367.814   2.8206 18535.08  284.087 18607.80  472.700 18493.96  355.439  368.327   4.6867  367.339   3.5335 0.9882507 5.869460 
1 1 1    3    2    2 o   68.764   1.0762  647.472   20.264  516.297   24.000  973.256   37.822   61.402   1.4274   84.301   1.6384 -22.89932 2.172971 
1 1 1    3    2    3 o  204.045   1.9820  5702.61  110.742  5858.86  150.667  5519.01  163.324  206.790   2.6607  200.686   2.9720 6.104034 3.988978 
1 1 1    3    2    4 o  349.668   2.8172 16755.50  269.751 16803.44  382.813 16708.21  380.173  350.010   3.9941  349.020   3.9778 0.9906921 5.636975 
1 1 1    3    2    5 o  217.747   1.9763  6495.10  117.840  6458.87  165.548  6532.31  167.775  217.084   2.7849  218.313   2.8065 -1.228851 3.953698 
1 1 1    3    2    6 o  190.500   1.7370  4970.77   90.609  4955.08  127.714  4986.67  128.571  190.161   2.4526  190.765   2.4612 -0.6046448 3.474625 
1 1 1    3    2    7 o  232.136   2.4341  7383.15  154.730  7675.25  227.353  7131.11  211.184  236.596   3.5092  228.066   3.3815 8.529266 4.873281 
1 1 1    3    2    8 o  313.862   2.8319 13497.21  243.395 13709.05  349.792 13298.36  338.891  316.201   4.0398  311.435   3.9738 4.765137 5.666626 
1 1 1    3    2    9 o  255.844   2.4774  8965.86  173.565  9065.36  268.110  8894.08  227.723  257.186   3.8069  254.778   3.2640 2.407715 5.014648 
1 1 1    3    2   10 o  203.811   1.8623  5688.67  103.935  5780.09  149.332  5602.77  144.747  205.418   2.6548  202.244   2.6136 3.174088 3.725430 
1 1 1    3    2   11 f  139.759   1.3184  2674.69   50.456  2689.87   71.745  2659.83   70.973  140.146   1.8695  139.361   1.8598 0.7846832 2.636998 
1 1 1    3    2   12 o  181.610   1.7922  4517.00   89.130  4589.80  119.806  4426.75  133.383  183.049   2.3901  179.757   2.7097 3.292328 3.613213 
1 1 1    3    2   13 o   76.717   0.9720  805.903   20.419  803.219   31.382  807.873   26.890   76.584   1.4964   76.808   1.2785 -0.2237701 1.968186 
1 1 1    3    2   14 o  102.513   1.1283  1439.08   31.673  1443.51   41.991  1433.24   48.241  102.664   1.4936  102.294   1.7222 0.3707123 2.279667 
1 1 1    3    2   15 o  122.075   1.2859  2041.09   42.987  2033.74   65.444  2046.67   57.010  121.827   1.9617  122.226   1.7033 -0.3988419 2.597994 
1 1 1    3    2   16 o   19.876   2.1013   54.779   11.263   60.207   13.800   43.944   19.496   20.802   2.4708   17.515   4.1317 3.287308 4.814126 
1 1 1    3    2   17 o  154.298   1.5624  3263.92   66.015  3306.34  102.061  3233.39   86.561  155.161   2.4021  153.502   2.0593 1.659317 3.163965 
1 1 1    3    2   18 o   49.294   0.9282  332.870   12.529  329.595   17.648  336.198   17.791   49.037   1.3143   49.526   1.3118 -0.4888954 1.856906 
1 1 1    3    2   19 o   81.697   0.9529  914.448   21.317  916.394   30.159  912.506   30.136   81.757   1.3471   81.584   1.3489 0.1737747 1.906380 
1 1 1    3    2   20 o   79.455   1.1133  865.300   24.222  889.736   42.232  853.321   29.569   80.484   1.9162   78.881   1.3689 1.602806 2.354923 
1 1 1    3    2   21 o   64.562   0.9662  571.286   17.081  545.326   23.584  599.930   24.774   63.047   1.3660   66.128   1.3681 -3.080986 1.933312 
1 1 1    3    2   22 o   63.228   1.1888  548.393   20.583  565.289   36.329  540.406   24.978   64.074   2.0705   62.737   1.4539 1.336800 2.530034 
1 1 1    3    2   23 o   44.544   1.3232  272.425   16.140  276.094   20.866  266.960   25.467   44.802   1.7008   43.999   2.1137 0.8025017 2.713029 
1 1 1    3    2   24 o   29.258   1.8811  118.479   14.991  130.910   23.150  109.502   19.672   30.570   2.7965   27.984   2.5968 2.586460 3.816219 
1 1 1    3    2   25 o   43.766   1.3217  263.444   15.840  261.104   22.533  265.731   22.272   43.469   1.8930   43.861   1.8543 -0.3915062 2.649894 
1 1 1    3    2   26 o   16.224   3.6072   39.198   15.611   28.029   21.655   51.282   22.524   13.987   4.7429   18.300   4.5211 -4.313025 6.552526 
1 1 1    3    2   27 o   26.027   1.9679   95.490   13.922   96.798   19.948   94.247   19.438   25.798   2.8725   25.471   2.8350 0.3265591 4.035913 
1 1 1    3    2   28 o   7.2170   3.2613  -4.3857   13.748 -16.0955   21.936   3.1884   17.642   8.1101   3.8203   9.0363   3.9022 -0.9261875 5.460961 
1 1 1    3    2   29 o   11.682   3.6201   22.342   12.777   27.038   16.863   16.014   19.577   12.586   4.1850   10.792   4.3351 1.794402 6.025556 
1 1 1    3    3    0 o  374.590   3.8897 19231.43  398.892 19231.43  398.892 19231.43  398.892  374.590   3.8897  374.590   3.8897 0.000000 0.000000 
1 1 1    3    3    1 o   72.934   0.8998  728.377   17.971  1350.89   42.324  591.471   19.849   99.319   1.5562   65.722   1.1029 33.59644 1.907395 
1 1 1    3    3    2 o   84.723   0.7899  982.851   18.325  954.729   24.149  1021.03   28.136   83.500   1.0561   86.349   1.1899 -2.849144 1.591001 
1 1 1    3    3    3 o   49.584   0.5666  336.636   7.6928  341.311   10.952  332.082   10.808   49.926   0.8011   49.247   0.8015 0.6796455 1.133155 
1 1 1    3    3    4 o   57.190   0.6323  447.836   9.9029  467.607   14.960  432.417   13.212   58.437   0.9349   56.195   0.8586 2.241348 1.269314 
1 1 1    3    3    5 o  199.166   1.8112  5433.56   98.782  5373.25  138.104  5496.75  141.349  198.014   2.5470  200.274   2.5774 -2.260468 3.623511 
1 1 1    3    3    6 o   38.616   0.9470  204.195   10.014  210.307   14.416  198.495   13.920   39.188   1.3434   38.071   1.3352 1.116337 1.894056 
1 1 1    3    3    7 o  298.100   3.1064 12178.99  253.573 12246.98  360.658 12112.53  356.591  298.782   4.4081  297.141   4.3825 1.641205 6.215889 
1 1 1    3    3    8 f  139.477   1.3018  2663.93   49.720  2693.21   71.056  2635.84   69.595  140.232   1.8504  138.731   1.8320 1.501205 2.603851 
1 1 1    3    3    9 o  424.269   3.8157 24669.29  443.304 24469.77  621.726 24875.64  632.261  422.352   5.3757  425.833   5.4221 -3.481232 7.635263 
1 1 1    3    3   10 o  128.931   1.3102  2276.26   46.259  2247.15   69.892  2298.95   61.709  128.094   1.9925  129.566   1.7393 -1.472076 2.644859 
1 1 1    3    3   11 o  124.873   1.1990  2135.23   40.998  2134.87   58.000  2135.59   57.961  124.856   1.6964  124.877   1.6950 -0.2120209E-01 2.398071 
1 1 1    3    3   12 o   69.721   1.0874  665.631   20.761  655.268   26.492  682.124   33.421   69.174   1.3986   70.574   1.7294 -1.400192 2.224122 
1 1 1    3    3   13 o  190.599   2.0286  4976.07  105.877  5057.95  152.198  4899.29  147.384  192.118   2.8930  189.083   2.8465 3.034454 4.058581 
1 1 1    3    3   14 o   61.220   0.8963  513.207   15.026  511.543   21.024  514.945   21.483   61.117   1.2562   61.320   1.2794 -0.2025909 1.793028 
1 1 1    3    3   15 o  109.780   1.2786  1650.70   38.436  1639.67   54.082  1661.97   54.635  109.391   1.8054  110.132   1.8116 -0.7411346 2.557645 
1 1 1    3    3   16 o   52.153   0.9725  372.543   13.889  389.437   18.362  349.953   21.233   53.316   1.2577   50.533   1.5344 2.782562 1.984001 
1 1 1    3    3   17 o  115.985   1.1578  1843.29   36.772  1851.11   52.229  1835.61   51.781  116.187   1.6416  115.700   1.6343 0.4867325 2.316436 
1 1 1    3    3   18 o   54.032   0.9629  399.958   14.247  394.109   21.680  404.402   18.901   53.614   1.4767   54.319   1.2707 -0.7054214 1.948183 
1 1 1    3    3   19 o   31.949   1.2199  139.917   10.673  138.512   15.221  141.275   14.969   31.721   1.7592   32.042   1.7122 -0.3202248 2.454854 
1 1 1    3    3   20 o  148.678   1.4283  3032.12   58.151  3055.06   82.846  3009.84   81.643  149.100   2.0291  147.997   2.0145 1.103455 2.859305 
1 1 1    3    3   21 o   68.065   0.9686  634.987   18.054  647.215   25.636  622.955   25.429   68.682   1.3631   67.381   1.3782 1.301064 1.938368 
1 1 1    3    3   22 f   39.702   1.4894  216.470   16.193  204.427   23.174  227.960   22.635   38.451   2.2102   40.690   2.0315 -2.239330 3.001959 
1 1 1    3    3   23 o   33.383   1.7750  153.799   16.168  123.349   22.295  187.574   23.481   29.704   2.7730   36.776   2.3439 -7.071241 3.630874 
1 1 1    3    3   24 o   36.412   1.5489  182.395   15.444  165.887   22.961  196.034   20.871   34.520   2.4448   37.631   2.0329 -3.110973 3.179616 
1 1 1    3    3   25 o   28.366   1.8473  111.641   14.271  115.435   20.281  107.920   20.086   28.661   2.6127   27.686   2.6831 0.9758415 3.745047 
1 1 1    3    3   26 o   49.289   1.3723  335.212   18.521  334.142   25.648  336.378   26.775   49.033   1.9102   49.166   1.9887 -0.1330681 2.757487 
1 1 1    3    3   27 o   32.008   1.7108  143.411   14.941  181.373   23.062  115.951   19.614   35.657   2.3755   28.389   2.5503 7.268549 3.485243 
1 1 1    3    3   28 o   25.857   2.1819   96.546   15.305  103.631   22.287   90.224   21.054   26.063   3.1894   24.254   3.2520 1.809093 4.554945 
1 1 1    3    3   29 o   6.7316   3.0648  -4.4020   12.422  -7.0371   16.272  -0.7210   19.232   7.4298   3.4288   8.6688   3.8926 -1.239024 5.187395 
1 1 1    3    4    0 o  184.432   2.1242  4660.32  107.250  4660.32  107.250  4660.32  107.250  184.432   2.1242  184.432   2.1242 0.000000 0.000000 
1 1 1    3    4    1 o  147.831   1.5961  2993.09   64.613  2608.01   78.828  3781.58  112.797  137.979   2.0863  166.130   2.4795 -28.15143 3.240438 
1 1 1    3    4    2 o  287.293   2.4571 11309.46  193.299 12292.65  281.520 10432.46  265.883  299.412   3.4336  275.819   3.5203 23.59354 4.917521 
1 1 1    3    4    3 o  236.051   1.9106  7632.71  123.501  7552.17  172.806  7716.79  176.567  234.746   2.6883  237.289   2.7173 -2.542175 3.822387 
1 1 1    3    4    4 o   77.789   0.7923  828.582   16.878  853.449   24.457  805.974   23.320   78.944   1.1314   76.717   1.1101 2.226913 1.584992 
1 1 1    3    4    5 o   71.537   0.6874  700.720   13.465  711.433   19.286  690.531   18.809   72.079   0.9771   71.013   0.9672 1.066635 1.374889 
1 1 1    3    4    6 o  181.289   1.6580  4501.22   82.308  4538.13  117.206  4465.31  115.612  182.003   2.3517  180.537   2.3386 1.465500 3.316524 
1 1 1    3    4    7 o  124.466   1.3562  2121.45   46.223  2143.69   65.949  2099.98   64.806  125.107   1.9250  123.825   1.9112 1.281822 2.712656 
1 1 1    3    4    8 o  345.369   3.3258 16343.88  314.538 16270.01  414.104 16444.63  483.582  344.491   4.3898  346.255   5.1002 -1.763824 6.729178 
1 1 1    3    4    9 o  534.811   5.1385 39228.16  752.536 39205.98  994.969 39257.81  1150.35  534.320   6.8002  534.406   7.8609 -0.8642578E-01 10.39401 
1 1 1    3    4   10 o  207.357   2.0244  5888.75  114.949  6029.96  179.849  5791.23  149.461  209.787   3.1307  205.612   2.6545 4.175018 4.104609 
1 1 1    3    4   11 o  176.010   1.6253  4242.52   78.334  4326.00  112.906  4165.03  108.772  177.715   2.3201  174.378   2.2779 3.336411 3.251413 
1 1 1    3    4   12 o   80.721   0.9779  892.208   21.616  884.213   28.338  903.333   33.429   80.356   1.2879   81.218   1.5031 -0.8619766 1.979357 
1 1 1    3    4   13 o  156.303   1.5688  3345.88   67.148  3418.83  104.809  3295.09   87.453  157.968   2.4229  155.097   2.0591 2.871185 3.179709 
1 1 1    3    4   14 o   58.293   0.9697  465.324   15.478  471.350   23.950  461.003   20.283   58.663   1.4909   58.018   1.2767 0.6445999 1.962851 
1 1 1    3    4   15 o   63.663   1.2313  555.150   21.466  558.535   30.867  551.980   29.871   63.842   1.7656   63.468   1.7187 0.3742867 2.464029 
1 1 1    3    4   16 o  167.210   1.6717  3832.84   76.543  3855.07  101.732  3803.84  116.202  167.617   2.2164  166.441   2.5495 1.175705 3.378268 
1 1 1    3    4   17 o   89.588   0.9786  1099.53   24.008  1127.84   34.534  1073.05   33.400   90.708   1.3903   88.478   1.3786 2.230042 1.957891 
1 1 1    3    4   18 o   42.057   1.0603  242.356   12.211  277.226   19.360  219.322   15.735   44.961   1.5725   39.996   1.4367 4.964802 2.130008 
1 1 1    3    4   19 o   86.998   1.2364  1037.53   29.456  1059.51   46.933  1023.24   37.836   87.838   1.9512   86.363   1.5999 1.474976 2.523266 
1 1 1    3    4   20 o   54.752   0.9651  410.807   14.469  410.914   20.571  410.702   20.355   54.734   1.3725   54.721   1.3584 0.1314926E-01 1.931073 
1 1 1    3    4   21 o   12.292   3.2910   21.671   11.298   10.839   15.943   32.596   16.012   10.494   3.9992   15.018   3.8695 -4.523495 5.564765 
1 1 1    3    4   22 o   31.260   1.9201  134.994   16.357  144.848   22.198  123.288   24.194   32.283   2.5313   29.669   3.0200 2.613880 3.940564 
1 1 1    3    4   23 o   70.979   1.1216  691.264   21.800  702.014   28.889  677.045   33.224   71.473   1.4760   70.142   1.7298 1.330872 2.273930 
1 1 1    3    4   24 o   21.130   2.6128   62.898   14.796   66.893   19.242   57.120   23.141   21.613   3.3603   19.669   4.4060 1.944645 5.541186 
1 1 1    3    4   25 o   26.066   1.9463   94.555   13.792   91.441   19.289   97.812   19.728   25.406   2.8201   26.298   2.7818 -0.8912792 3.961205 
1 1 1    3    4   26 o   17.376   2.8813   43.885   13.230   43.616   18.518   44.166   18.908   16.923   4.0500   17.013   4.1056 -0.8967590E-01 5.766971 
1 1 1    3    4   27 f   22.184   2.3163   70.677   13.863   86.832   21.177   58.561   18.339   24.076   3.2988   19.570   3.5530 4.505783 4.848292 
1 1 1    3    4   28 o   8.4463   3.6491   2.5984   15.441   3.6769   20.077   1.0368   24.158   9.4552   4.1225   9.8514   4.3974 -0.3962002 6.027618 
1 1 1    3    4   29 o   15.479   2.9421   37.421   12.015   25.138   16.770   50.378   17.224   12.142   4.1729   17.421   3.7234 -5.278813 5.592594 
1 1 1    3    5    0 f  337.764   4.3073 15647.61  398.244 15647.61  398.244 15647.61  398.244  337.764   4.3073  337.764   4.3073 0.000000 0.000000 
1 1 1    3    5    1 o  135.933   1.0264  2530.31   38.207  2509.68   53.661  2551.52   54.414  135.368   1.4476  136.492   1.4559 -1.123413 2.053059 
1 1 1    3    5    2 o  191.189   1.4826  5006.27   77.622  5051.61  116.257  4969.81  104.268  192.018   2.2110  190.468   1.9991 1.549393 2.980765 
1 1 1    3    5    3 o   89.640   1.1211  1100.37   27.519  1185.04   46.604  1055.05   34.098   93.012   1.8297   87.770   1.4187 5.241798 2.315313 
1 1 1    3    5    4 o  123.382   1.0923  2084.62   36.906  2089.12   49.564  2079.01   55.291  123.508   1.4655  123.205   1.6388 0.3034592 2.198509 
1 1 1    3    5    5 o   82.607   0.9089  934.391   20.559  909.869   26.600  970.779   32.402   81.513   1.1917   84.195   1.4054 -2.681793 1.842618 
1 1 1    3    5    6 o  193.531   1.7650  5129.49   93.536  5199.32  134.114  5063.35  130.518  194.817   2.5140  192.254   2.4792 2.562729 3.530761 
1 1 1    3    5    7 o  330.756   3.4455 14991.18  312.064 15362.93  452.069 14652.79  431.313  334.685   4.9326  326.871   4.8187 7.814117 6.895677 
1 1 1    3    5    8 o  235.595   2.0182  7601.62  130.202  7826.54  200.796  7438.44  171.031  239.015   3.0679  233.030   2.6802 5.984848 4.073781 
1 1 1    3    5    9 o  124.916   1.1882  2136.66   40.643  2169.85   58.282  2105.25   56.706  125.876   1.6908  123.989   1.6702 1.887489 2.376621 
1 1 1    3    5   10 o  172.319   1.5947  4066.39   75.251  4059.29  106.342  4073.51  106.500  172.152   2.2558  172.453   2.2552 -0.3013611 3.189778 
1 1 1    3    5   11 o  255.597   2.6783  8950.23  187.460  9097.99  330.148  8879.93  227.732  257.538   4.6814  254.553   3.2670 2.984177 5.708706 
1 1 1    3    5   12 o  174.753   1.7313  4182.57   82.848  4259.83  111.590  4087.68  123.669  176.339   2.3109  172.726   2.6146 3.613174 3.489527 
1 1 1    3    5   13 o  106.040   1.1528  1539.85   33.476  1535.43   51.017  1543.20   44.362  105.876   1.7597  106.149   1.5262 -0.2729492 2.329296 
1 1 1    3    5   14 o  143.676   1.4578  2827.63   57.356  2872.99   77.028  2771.20   85.928  144.799   1.9427  142.194   2.2068 2.604553 2.940040 
1 1 1    3    5   15 o   67.210   1.1227  618.755   20.664  594.502   32.500  635.210   26.771   65.858   1.8021   68.089   1.4358 -2.231056 2.304204 
1 1 1    3    5   16 o   42.179   1.0339  243.723   11.942  254.883   15.632  228.079   18.507   43.127   1.3237   40.786   1.6571 2.341038 2.120842 
1 1 1    3    5   17 o   78.334   0.9198  840.601   19.729  830.172   27.522  851.625   28.297   77.827   1.2914   78.825   1.3110 -0.9979477 1.840208 
1 1 1    3    5   18 o   28.622   1.3432  112.307   10.528  132.027   16.253   98.055   13.818   30.953   1.9271   26.660   1.9053 4.293549 2.709982 
1 1 1    3    5   19 o   86.361   1.1291  1022.24   26.702  1020.97   37.429  1023.55   38.104   86.264   1.5845   86.370   1.6111 -0.1058578 2.259689 
1 1 1    3    5   20 o   61.712   0.9457  521.903   15.982  545.373   23.071  500.251   22.159   63.056   1.3361   60.390   1.3400 2.665100 1.892302 
1 1 1    3    5   21 o   34.851   1.7115  166.896   16.333  124.815   25.259  197.137   21.413   29.854   3.1366   37.788   2.0773 -7.934055 3.762100 
1 1 1    3    5   22 o   69.437   1.0284  661.203   19.555  673.670   27.648  648.724   27.661   70.035   1.4417   68.722   1.4699 1.313156 2.058856 
1 1 1    3    5   23 o   21.742   2.2481   65.976   13.191   63.788   18.362   68.310   18.963   21.151   3.2762   21.906   3.2605 -0.7554741 4.622215 
1 1 1    3    5   24 o   13.309   3.6070   25.794   13.474   17.225   18.643   35.164   19.496   11.984   4.3714   15.477   4.3948 -3.493225 6.198633 
1 1 1    3    5   25 o   12.744   3.9796   23.411   15.407   19.696   21.317   27.475   22.293   12.641   4.6646   14.036   4.8120 -1.394753 6.701795 
1 1 1    3    5   26 o   37.293   1.4050  192.327   14.348  212.670   20.250  171.819   20.332   39.057   1.8934   34.962   2.1340 4.095589 2.852840 
1 1 1    3    5   27 o   11.561   3.7659   20.351   13.681   29.383   20.781   13.442   18.175   13.579   4.6459   10.695   4.2158 2.883519 6.273582 
1 1 1    3    5   28 o   28.887   1.6260  118.024   12.809  119.702   17.812  116.225   18.435   28.651   2.2894   28.133   2.4164 0.5180473 3.328714 
1 1 1    3    6    0 f   30.497   1.1028  127.852   9.1826  127.852   9.1826  127.852   9.1826   30.497   1.1028   30.497   1.1028 0.000000 0.000000 
1 1 1    3    6    1 o  214.489   1.6622  6301.08   97.626  6426.61  147.675  6203.63  130.115  216.570   2.4901  212.796   2.2329 3.774658 3.344639 
1 1 1    3    6    2 o  150.395   1.7577  3098.00   72.387  2915.16  107.792  3248.18   97.692  145.854   2.6988  153.977   2.3169 -8.122604 3.556952 
1 1 1    3    6    3 o  198.361   2.2837  5390.30  124.044  5521.35  200.806  5309.44  157.739  200.672   3.6543  196.833   2.9265 3.838837 4.681686 
1 1 1    3    6    4 o  396.357   3.1892 21529.85  346.143 21677.79  493.127 21386.15  485.993  397.526   4.5300  394.849   4.4948 2.677277 6.381570 
1 1 1    3    6    5 o  350.813   2.9802 16862.25  286.293 17021.45  387.829 16671.63  424.396  352.364   4.0194  348.675   4.4449 3.689117 5.992697 
1 1 1    3    6    6 o  437.256   3.9299 26205.30  470.556 26315.69  771.563 26139.93  593.763  437.789   6.4360  436.573   4.9667 1.215424 8.129594 
1 1 1    3    6    7 o  206.069   2.1789  5815.88  122.952  6188.21  225.683  5658.72  146.622  212.493   3.8785  203.251   2.6344 9.241699 4.688586 
1 1 1    3    6    8 o  220.259   2.0066  6644.23  121.025  6643.80  170.769  6644.66  171.545  220.223   2.8318  220.237   2.8445 -0.1373291E-01 4.013699 
1 1 1    3    6    9 o  218.010   1.8744  6509.18  111.901  6476.19  166.650  6536.27  151.007  217.422   2.7991  218.440   2.5245 -1.018173 3.769340 
1 1 1    3    6   10 o  219.859   2.0029  6620.48  120.582  6655.51  171.387  6586.15  169.683  220.404   2.8397  219.253   2.8262 1.150925 4.006398 
1 1 1    3    6   11 f   93.296   1.1327  1191.90   28.937  1209.53   51.385  1183.72   35.018   93.972   1.9969   92.973   1.3754 0.9992371 2.424730 
1 1 1    3    6   12 o  115.939   1.1406  1840.69   36.212  1863.27   51.685  1818.93   50.750  116.639   1.6182  115.243   1.6082 1.396187 2.281407 
1 1 1    3    6   13 o   53.837   0.9584  396.908   14.130  426.235   22.460  377.698   18.178   55.785   1.4703   52.515   1.2641 3.269608 1.938967 
1 1 1    3    6   14 f   77.860   0.9683  830.233   20.645  842.682   27.682  814.633   30.989   78.434   1.2889   77.112   1.4675 1.321571 1.953161 
1 1 1    3    6   15 o  142.388   1.3538  2778.07   52.788  2791.77   74.982  2764.62   74.329  142.683   1.9191  141.988   1.9117 0.6947784 2.708766 
1 1 1    3    6   16 o   43.134   0.9558  254.871   11.289  271.763   15.925  237.806   16.006   44.530   1.3060   41.652   1.4034 2.878044 1.917062 
1 1 1    3    6   17 o   66.412   0.9440  604.229   17.168  598.561   22.333  612.416   26.842   66.086   1.2341   66.833   1.4667 -0.7469177 1.916782 
1 1 1    3    6   18 o   19.520   1.7936   52.733   9.4801   46.191   13.194   59.716   13.630   18.115   2.7459   20.694   2.4530 -2.579161 3.681978 
1 1 1    3    6   19 f   74.722   0.9446  765.082   19.328  801.587   28.050  732.082   26.670   76.454   1.3398   73.064   1.3330 3.389183 1.889964 
1 1 1    3    6   20 o   49.498   0.9982  335.823   13.530  347.094   19.273  324.869   18.998   50.295   1.3993   48.656   1.4259 1.638878 1.997829 
1 1 1    3    6   21 o   80.069   1.1620  879.350   25.479  900.677   37.041  860.198   35.102   80.957   1.6709   79.125   1.6200 1.831390 2.327286 
1 1 1    3    6   22 o   13.029   3.4242   24.533   12.377   31.197   17.368   17.657   17.643   14.689   4.1400   11.985   4.2679 2.703709 5.946000 
1 1 1    3    6   23 o   50.911   1.1297  355.751   15.749  368.927   22.021  341.954   22.534   51.790   1.5527   49.845   1.6509 1.944084 2.266363 
1 1 1    3    6   24 o   58.165   1.1045  464.624   17.591  441.121   24.108  491.391   25.727   56.590   1.5557   59.723   1.5731 -3.133514 2.212435 
1 1 1    3    6   25 o   12.009   4.1257   19.714   16.392  -1.4209   24.649   36.472   21.949   10.447   4.5610   15.556   4.7313 -5.109224 6.571748 
1 1 1    3    6   26 o   43.901   1.2478  266.284   15.001  262.747   20.931  270.020   21.509   43.415   1.7606   44.000   1.7852 -0.5857658 2.507327 
1 1 1    3    6   27 o   7.5436   3.2801   0.2425   12.637   2.0543   17.763  -1.6142   17.982   8.9700   3.8945   8.5913   3.8171 0.3787241 5.453198 
1 1 1    3    6   28 o   5.9493   2.7935  -9.4192   11.567 -31.5178   15.948   15.107   16.802   5.6278   2.7854   10.433   4.0709 -4.805140 4.932637 
1 1 1    3    7    0 o  284.898   4.2023 11129.07  327.683 11129.07  327.683 11129.07  327.683  284.898   4.2023  284.898   4.2023 0.000000 0.000000 
1 1 1    3    7    1 o   59.830   0.5842  490.127   9.5714  478.536   14.184  499.815   12.969   59.117   0.8762   60.418   0.7839 -1.300472 1.175681 
1 1 1    3    7    2 o  193.968   1.6634  5152.52   88.351  5194.07  154.662  5132.40  107.644  194.703   2.9008  193.578   2.0307 1.125168 3.540960 
1 1 1    3    7    3 o   32.313   0.7435  142.966   6.5785  156.240   10.119  133.247   8.6581   33.779   1.0939   31.195   1.0136 2.584293 1.491294 
1 1 1    3    7    4 o  165.175   1.9202  3736.47   86.853  3974.51  119.180  3466.87  126.834  170.339   2.5551  159.078   2.9116 11.26038 3.873742 
1 1 1    3    7    5 o  324.576   2.7586 14431.40  245.184 14382.69  366.631 14470.80  329.774  323.928   4.1332  324.954   3.7060 -1.026215 5.551405 
1 1 1    3    7    6 o  312.605   2.6589 13385.92  227.608 13372.27  341.152 13396.87  305.554  312.356   3.9885  312.676   3.5687 -0.3191528 5.351944 
1 1 1    3    7    7 f  236.378   2.2960  7652.96  148.615  7667.22  227.063  7642.27  196.566  236.542   3.5055  236.181   3.0393 0.3607635 4.639597 
1 1 1    3    7    8 o   50.671   0.9640  351.568   13.376  465.165   20.001  259.658   17.991   58.284   1.2532   43.545   1.5088 14.73929 1.961322 
1 1 1    3    7    9 o  259.115   2.2174  9196.39  157.336  8945.71  229.016  9420.47  216.521  255.500   3.2733  262.209   3.0155 -6.709198 4.450610 
1 1 1    3    7   10 o  140.785   1.5329  2714.35   59.097  2684.46  101.042  2729.89   72.859  139.979   2.6360  141.180   1.8846 -1.201035 3.240418 
1 1 1    3    7   11 f   89.539   1.0204  1097.82   25.018  1093.21   32.966  1104.09   38.418   89.347   1.3474   89.787   1.5625 -0.4404526 2.063251 
1 1 1    3    7   12 o  206.247   1.8900  5827.41  106.743  5921.19  153.431  5739.43  148.601  207.841   2.6958  204.630   2.6519 3.211166 3.781573 
1 1 1    3    7   13 o  208.633   2.2100  5966.56  126.259  5998.38  179.490  5935.40  177.638  209.066   3.1352  207.969   3.1192 1.097961 4.422577 
1 1 1    3    7   14 f  149.092   1.5036  3045.99   61.387  3160.64   96.959  2969.29   79.305  151.784   2.3328  147.160   1.9680 4.623993 3.052023 
1 1 1    3    7   15 o   51.887   0.8690  368.772   12.348  369.082   17.390  368.456   17.536   51.899   1.2236   51.855   1.2350 0.4445648E-01 1.738494 
1 1 1    3    7   16 o   64.722   0.9226  573.850   16.351  572.743   21.572  575.345   25.067   64.647   1.2186   64.784   1.4130 -0.1364441 1.865865 
1 1 1    3    7   17 o   99.650   1.0384  1360.64   28.337  1361.89   40.008  1359.38   40.141   99.659   1.4660   99.567   1.4723 0.9262848E-01 2.077673 
1 1 1    3    7   18 o   26.154   1.4659   94.114   10.456  106.049   15.819   84.854   13.934   27.702   2.1010   24.766   2.0737 2.936769 2.952066 
1 1 1    3    7   19 o  158.230   1.6088  3436.67   69.706  3542.78  109.665  3364.74   90.294  160.367   2.4973  156.423   2.1080 3.944305 3.268006 
1 1 1    3    7   20 o  101.501   1.0877  1412.59   30.232  1452.79   43.708  1375.71   41.861  102.859   1.5518  100.098   1.5272 2.761208 2.177233 
1 1 1    3    7   21 o   50.490   1.3591  349.966   18.791  368.301   31.309  339.644   23.493   51.684   2.2122   49.700   1.7262 1.983631 2.806034 
1 1 1    3    7   22 o   54.083   1.0824  401.287   16.030  421.201   22.891  382.126   22.455   55.356   1.5101   52.720   1.5554 2.636452 2.167928 
1 1 1    3    7   23 o   38.864   1.4467  207.703   15.396  218.618   20.259  192.779   23.688   39.816   1.8581   37.242   2.3346 2.574165 2.983757 
1 1 1    3    7   24 o   11.109   3.6891   16.843   13.105   10.969   18.247   23.102   18.834   10.815   4.2363   13.003   4.4231 -2.187284 6.124502 
1 1 1    3    7   25 o   26.762   1.9611  100.196   14.272  110.800   18.529   84.725   22.379   27.991   2.4418   24.037   3.5030 3.954247 4.270042 
1 1 1    3    7   26 o   34.735   1.4474  167.579   13.767  167.639   19.268  167.517   19.677   34.439   2.0525   34.402   2.0988 0.3703690E-01 2.935566 
1 1 1    3    7   27 o   11.444   3.7929   20.566   13.856   42.423   19.867  -0.1366   19.335   15.779   4.4210   8.9417   3.9661 6.836857 5.939295 
1 1 1    3    7   28 o   16.357   2.7193   40.878   11.752   34.629   16.112   47.983   17.179   14.231   3.9793   16.972   3.7919 -2.741888 5.496693 
1 1 1    3    8    0 o  529.717   6.7498 38495.98  978.741 38495.98  978.741 38495.98  978.741  529.717   6.7498  529.717   6.7498 0.000000 0.000000 
1 1 1    3    8    1 f  192.173   1.7536  5057.44   92.283  5154.20  153.745  5002.95  115.380  193.968   2.8945  191.123   2.2046 2.844986 3.638485 
1 1 1    3    8    2 o  122.170   1.3289  2043.82   44.457  2195.93   82.332  1981.21   52.820  126.619   2.3745  120.282   1.6036 6.337616 2.865317 
1 1 1    3    8    3 o  173.939   2.2865  4143.79  108.908  5290.79  193.651  3613.19  131.711  196.495   3.5990  162.403   2.9617 34.09180 4.660923 
1 1 1    3    8    4 o  223.763   1.9174  6857.08  117.489  6895.79  176.981  6826.58  157.099  224.360   2.8806  223.244   2.5698 1.116425 3.860331 
1 1 1    3    8    5 o  324.597   2.7630 14433.39  245.595 14223.76  362.912 14610.50  333.585  322.131   4.1141  326.514   3.7309 -4.382568 5.553904 
1 1 1    3    8    6 o  225.245   1.9352  6948.44  119.366  6785.77  174.965  7090.06  163.258  222.557   2.8709  227.504   2.6206 -4.946426 3.887111 
1 1 1    3    8    7 o  179.753   1.7693  4425.02   87.090  4346.88  130.214  4488.25  117.147  178.132   2.6695  181.016   2.3633 -2.884033 3.565325 
1 1 1    3    8    8 o  139.312   1.4002  2657.71   53.417  2641.95   81.099  2669.78   70.993  138.883   2.1324  139.619   1.8569 -0.7362366 2.827590 
1 1 1    3    8    9 o  269.191   2.8151  9928.79  207.515  9909.33  253.568  9968.25  361.100  268.879   3.4439  269.528   4.8925 -0.6492004 5.983077 
1 1 1    3    8   10 o   90.167   0.9838  1113.28   24.292  1196.19   40.654  1067.23   30.295   93.457   1.5886   88.280   1.2532 5.176453 2.023354 
1 1 1    3    8   11 o   70.478   0.9678  680.184   18.679  713.028   27.690  652.760   25.302   72.154   1.4014   69.038   1.3384 3.115753 1.937848 
1 1 1    3    8   12 f   98.232   1.0829  1321.54   29.130  1340.30   45.078  1308.09   38.171   98.909   1.6643   97.722   1.4264 1.187721 2.191961 
1 1 1    3    8   13 o   84.845   1.0676  985.988   24.804  1005.33   36.080  968.654   34.156   85.655   1.5382   84.081   1.4835 1.574654 2.137024 
1 1 1    3    8   14 o   76.913   0.9485  810.307   19.978  823.043   30.769  801.024   26.267   77.493   1.4500   76.459   1.2546 1.033897 1.917383 
1 1 1    3    8   15 o  106.522   1.0756  1554.67   31.376  1553.74   44.327  1555.60   44.417  106.453   1.5206  106.516   1.5228 -0.6326294E-01 2.152019 
1 1 1    3    8   16 o   78.066   0.9100  834.871   19.454  847.524   27.668  822.501   27.358   78.634   1.2849   77.464   1.2897 1.169815 1.820564 
1 1 1    3    8   17 o   73.246   0.9010  735.020   18.073  761.040   26.087  711.008   25.061   74.508   1.2786   72.018   1.2708 2.490234 1.802677 
1 1 1    3    8   18 o   63.877   0.9760  559.150   17.072  558.274   22.567  560.322   26.107   63.807   1.2915   63.907   1.4918 -0.1007996 1.973208 
1 1 1    3    8   19 o   37.038   1.2395  188.145   12.571  182.633   19.447  192.102   16.476   36.393   1.9586   37.404   1.6086 -1.010586 2.534493 
1 1 1    3    8   20 o   81.333   1.0014  906.916   22.303  910.773   31.562  903.068   31.521   81.452   1.4150   81.106   1.4192 0.3459396 2.004136 
1 1 1    3    8   21 f   25.269   2.0949   88.621   14.365   69.903   25.514   97.308   17.382   21.898   4.4076   26.428   2.4290 -4.530186 5.032557 
1 1 1    3    8   22 o   73.822   1.0313  747.623   20.848  748.106   29.496  747.141   29.470   73.773   1.4601   73.725   1.4597 0.4753113E-01 2.064650 
1 1 1    3    8   23 o   52.137   1.2315  373.523   17.582  363.167   23.006  388.066   27.264   51.339   1.6364   53.017   1.8779 -1.677784 2.490882 
1 1 1    3    8   24 o   10.385   3.8581   12.554   14.631   19.700   19.989   4.3071   21.474   12.452   4.5288   10.468   4.4049 1.983674 6.317701 
1 1 1    3    8   25 o   20.298   2.3431   58.738   12.785   71.319   18.296   46.733   17.872   22.084   3.1117   17.516   3.8325 4.568031 4.936671 
1 1 1    3    8   26 o   7.0549   3.1480  -3.0113   12.369 -38.3730   17.563   31.788   17.422   5.8048   2.8817   14.041   4.2031 -8.235806 5.096064 
1 1 1    3    8   27 o   27.612   1.7570  108.436   13.216  137.619   20.643   88.169   17.204   30.567   2.4878   24.335   2.6231 6.231554 3.615235 
1 1 1    3    8   28 o   14.892   2.9670   34.840   11.675   45.166   16.267   23.872   16.765   16.461   3.6990   11.867   4.1670 4.594031 5.571907 
1 1 1    3    9    0 o  182.822   2.7429  4580.54  137.249  4580.54  137.249  4580.54  137.249  182.822   2.7429  182.822   2.7429 0.000000 0.000000 
1 1 1    3    9    1 o  167.945   1.3786  3862.32   63.403  3833.02   99.757  3882.19   82.124  167.291   2.1776  168.369   1.7812 -1.078339 2.813316 
1 1 1    3    9    2 o   66.508   1.5022  605.730   27.358  605.730   27.358   0.0000   0.0000   66.508   1.5022  ?   ?  0.000000 1.502153 
1 1 1    3    9    3 o   98.810   1.9422  1337.15   52.552  1337.15   52.552   0.0000   0.0000   98.810   1.9422  ?   ?  0.000000 1.942205 
1 1 1    3    9    4 o  182.436   1.5813  4557.89   78.997  4617.80  120.333  4512.51  104.723  183.610   2.3933  181.513   2.1069 2.096802 3.188567 
1 1 1    3    9    5 o  253.825   2.6517  8825.96  184.312  8797.66  259.814  8854.63  261.507  253.350   3.7450  254.168   3.7573 -0.8181610 5.304908 
1 1 1    3    9    6 o  195.082   2.0619  5212.48  110.147  5181.22  188.806  5228.61  135.617  194.431   3.5462  195.367   2.5350 -0.9354858 4.359071 
1 1 1    3    9    7 o  235.129   2.1375  7572.60  137.625  7700.34  197.472  7451.94  191.909  237.056   3.0420  233.204   3.0052 3.852585 4.276103 
1 1 1    3    9    8 o  147.049   1.3823  2961.18   55.660  2940.20   77.738  2983.24   79.730  146.513   1.9376  147.581   1.9729 -1.067474 2.765264 
1 1 1    3    9    9 o  135.574   1.3847  2517.14   51.406  2495.17   76.597  2535.15   69.340  134.963   2.0726  136.046   1.8613 -1.083588 2.785654 
1 1 1    3    9   10 o   61.335   0.8124  515.136   13.644  557.142   20.468  481.542   18.304   63.783   1.1719   59.299   1.1272 4.484661 1.626014 
1 1 1    3    9   11 o  127.353   1.4160  2221.66   49.380  2268.55   71.323  2178.49   68.434  128.660   2.0244  126.083   1.9821 2.577400 2.833183 
1 1 1    3    9   12 o   74.415   0.9169  758.411   18.684  752.839   29.352  762.206   24.225   74.126   1.4460   74.594   1.1859 -0.4680328 1.870162 
1 1 1    3    9   13 o  162.233   1.6198  3608.03   71.961  3667.19  111.828  3566.22   94.011  163.421   2.4989  161.219   2.1295 2.201477 3.283195 
1 1 1    3    9   14 o  109.070   1.1633  1630.09   34.743  1662.49   53.774  1606.88   45.520  110.089   1.7838  108.258   1.5355 1.830498 2.353640 
1 1 1    3    9   15 o   21.070   1.5437   61.205   8.8451   55.758   12.538   66.602   12.480   20.011   2.3317   21.924   2.1047 -1.913012 3.141105 
1 1 1    3    9   16 o  106.830   1.1564  1564.12   33.828  1596.95   52.423  1540.70   44.280  107.873   1.7747  105.989   1.5257 1.884727 2.340333 
1 1 1    3    9   17 o   79.900   1.0827  874.971   23.689  887.373   33.631  862.760   33.372   80.425   1.5271   79.301   1.5368 1.124207 2.166499 
1 1 1    3    9   18 o   31.398   1.3380  135.226   11.504  154.595   15.513  111.562   17.147   33.510   1.6961   28.387   2.2236 5.123138 2.796639 
1 1 1    3    9   19 o   40.246   1.1060  222.099   12.188  237.066   17.622  208.373   16.876   41.550   1.5489   38.952   1.5822 2.598019 2.214092 
1 1 1    3    9   20 o   51.898   1.0930  369.418   15.533  369.833   21.048  368.922   23.018   51.889   1.4813   51.808   1.6225 0.8055878E-01 2.196980 
1 1 1    3    9   21 o   65.049   1.0878  580.541   19.377  576.331   30.128  583.511   25.306   64.718   1.7000   65.169   1.4181 -0.4510651 2.213802 
1 1 1    3    9   22 o   54.260   1.0944  404.116   16.261  404.753   22.842  403.461   23.153   54.237   1.5380   54.147   1.5615 0.9066391E-01 2.191738 
1 1 1    3    9   23 o   40.993   1.3106  231.192   14.712  234.945   20.793  227.430   20.817   41.228   1.8418   40.557   1.8744 0.6715431 2.627850 
1 1 1    3    9   24 o   57.631   1.3521  458.228   21.339  448.322   26.886  475.091   35.077   56.869   1.7265   58.320   2.1964 -1.451351 2.793726 
1 1 1    3    9   25 o   13.621   3.3117   28.209   12.233   27.069   17.378   29.330   17.223   13.258   4.2375   13.723   4.1949 -0.4647102 5.962662 
1 1 1    3    9   26 o   10.481   3.7395   16.023   13.551   37.505   19.659  -3.4251   18.705   14.894   4.4660   8.5059   3.8275 6.388235 5.881776 
1 1 1    3    9   27 o   29.392   1.5294  122.046   12.267  116.873   17.391  127.169   17.307   28.248   2.2674   29.566   2.1524 -1.317976 3.126309 
1 1 1    3   10    0 o  108.579   1.4897  1615.23   44.274  1615.23   44.274  1615.23   44.274  108.579   1.4897  108.579   1.4897 0.000000 0.000000 
1 1 1    3   10    1 o  157.128   1.3623  3380.89   58.617  3360.24   87.624  3397.62   78.861  156.634   2.0429  157.508   1.8284 -0.8738251 2.741621 
1 1 1    3   10    2 o  157.972   1.4601  3417.35   63.159  3507.13  106.234  3368.27   78.549  160.010   2.4245  156.826   1.8291 3.184341 3.037091 
1 1 1    3   10    3 o   90.516   1.3281  1121.93   32.918  1129.49   45.807  1113.87   47.337   90.814   1.8420   90.183   1.9169 0.6310577 2.658444 
1 1 1    3   10    4 o  138.092   1.4000  2611.36   52.939  2550.02   79.895  2659.36   70.682  136.445   2.1383  139.346   1.8524 -2.901245 2.829068 
1 1 1    3   10    5 o   66.540   0.8212  606.257   14.964  624.926   22.393  591.196   20.114   67.555   1.2105   65.707   1.1179 1.847778 1.647703 
1 1 1    3   10    6 o  146.908   1.5900  2955.69   63.963  2939.95  109.268  2963.90   78.893  146.481   2.7241  147.102   1.9585 -0.6215210 3.355067 
1 1 1    3   10    7 o  281.592   2.5465 10864.42  196.361 10882.99  278.049 10845.95  277.344  281.733   3.6041  281.253   3.6011 0.4794617 5.094808 
1 1 1    3   10    8 f   61.704   0.8684  521.343   14.672  508.952   20.487  534.392   21.023   60.963   1.2272   62.468   1.2290 -1.505028 1.736811 
1 1 1    3   10    9 o  114.787   1.0715  1804.40   33.682  1912.20   52.272  1727.86   44.044  118.150   1.6156  112.317   1.4320 5.833557 2.158931 
1 1 1    3   10   10 f  197.581   1.7157  5348.91   92.825  5411.69  140.202  5299.91  123.860  198.645   2.5774  196.616   2.3005 2.029297 3.454778 
1 1 1    3   10   11 o   73.329   0.8548  736.412   17.165  775.926   25.127  701.834   23.505   75.261   1.2192   71.578   1.1992 3.682823 1.710133 
1 1 1    3   10   12 o   99.590   1.1160  1358.76   30.434  1361.29   45.802  1356.76   40.724   99.645   1.6786   99.493   1.4947 0.1520309 2.247631 
1 1 1    3   10   13 o  166.471   1.7933  3801.54   81.750  3757.65  114.463  3847.24  116.797  165.353   2.5279  167.307   2.5493 -1.954391 3.590196 
1 1 1    3   10   14 o   88.030   0.9852  1061.67   23.749  1095.20   33.060  1025.91   34.139   89.385   1.3507   86.504   1.4412 2.880737 1.975188 
1 1 1    3   10   15 o  121.713   1.1890  2030.36   39.629  2034.05   56.143  2026.69   55.946  121.761   1.6838  121.541   1.6810 0.2198257 2.379273 
1 1 1    3   10   16 o  111.408   1.1220  1701.16   34.228  1710.65   48.691  1691.89   48.126  111.659   1.5924  111.047   1.5826 0.6122665 2.245129 
1 1 1    3   10   17 o   57.131   1.0610  447.392   16.599  455.191   20.048  430.393   29.599   57.613   1.2707   55.964   1.9314 1.649277 2.311946 
1 1 1    3   10   18 o   27.295   1.4314  102.529   10.662  113.167   15.322   92.542   14.845   28.618   1.9671   25.845   2.1162 2.772799 2.889240 
1 1 1    3   10   19 o   31.670   1.3720  137.681   11.899  154.361   17.114  122.075   16.554   33.444   1.8763   29.704   2.0477 3.739357 2.777325 
1 1 1    3   10   20 o   55.253   1.1783  418.941   17.828  429.428   30.820  413.667   21.856   55.819   2.0163   54.872   1.4546 0.9474258 2.486225 
1 1 1    3   10   21 o   37.502   1.4287  193.318   14.672  211.587   23.369  181.430   18.850   39.071   2.1931   36.226   1.9069 2.844448 2.906194 
1 1 1    3   10   22 o   64.719   1.1158  575.244   19.775  573.755   29.521  576.456   26.635   64.512   1.6711   64.706   1.5032 -0.1939163 2.247662 
1 1 1    3   10   23 o   32.856   1.5866  149.125   14.275  138.505   21.075  158.128   19.404   31.376   2.4729   33.654   2.1163 -2.278341 3.254872 
1 1 1    3   10   24 o   35.315   1.7909  174.120   17.263  171.165   18.795  190.063   43.654   34.942   1.9723   35.072   4.6608 -0.1302414 5.060969 
1 1 1    3   10   25 o   8.6696   3.4144   7.7998   11.912   1.3350   16.812   14.317   16.881   8.7359   3.7909   10.652   4.1016 -1.916472 5.585151 
1 1 1    3   10   26 o   21.885   2.5586   71.111   15.044   64.008   24.641   75.333   18.995   19.034   4.7444   22.040   3.2443 -3.005844 5.747612 
1 1 1    3   10   27 f   13.166   3.2485   28.029   11.640   19.126   16.420   37.023   16.503   10.981   4.0856   14.644   4.0015 -3.663879 5.718712 
1 1 1    3   11    0 f  223.675   3.3140  6858.00  202.883  6858.00  202.883  6858.00  202.883  223.675   3.3140  223.675   3.3140 0.000000 0.000000 
1 1 1    3   11    1 o  118.751   1.2050  1931.05   39.184  1860.22   57.388  1992.92   53.633  116.543   1.7982  120.632   1.6236 -4.088585 2.422741 
1 1 1    3   11    2 o  110.949   1.3661  1685.71   41.506  1624.73   63.202  1731.94   55.037  108.910   2.1192  112.453   1.7873 -3.542824 2.772256 
1 1 1    3   11    3 o   42.556   1.2624  248.002   14.711  221.836   18.218  297.039   24.939   40.246   1.6530   46.568   1.9557 -6.322189 2.560709 
1 1 1    3   11    4 o  366.571   4.1840 18432.67  419.990 18167.41  653.980 18618.86  547.910  363.427   6.5714  368.182   5.4345 -4.755249 8.527421 
1 1 1    3   11    5 o  115.549   1.8678  1828.78   59.101   0.0000   0.0000  1828.78   59.101  ?   ?   115.549   1.8678 0.000000 1.867838 
1 1 1    3   11    6 o   38.106   1.0844  198.842   11.315   0.0000   0.0000  198.842   11.315  ?   ?    38.106   1.0844 0.000000 1.084357 
1 1 1    3   11    7 o  182.139   1.7893  4544.73   89.244  4369.64  130.992  4696.40  121.917  178.535   2.6794  185.113   2.4051 -6.577225 3.600504 
1 1 1    3   11    8 o  109.699   1.2676  1648.25   38.079  1635.95   63.456  1655.17   47.603  109.254   2.1210  109.918   1.5815 -0.6641922 2.645733 
1 1 1    3   11    9 o   84.361   0.8654  974.637   19.991  970.373   28.866  978.567   27.713   84.167   1.2524   84.523   1.1973 -0.3563004 1.732686 
1 1 1    3   11   10 o   63.464   0.9100  551.636   15.815  559.941   19.567  535.986   26.859   63.934   1.1176   62.537   1.5684 1.397564 1.925901 
1 1 1    3   11   11 o   90.857   0.9643  1130.81   23.992  1134.78   33.225  1126.48   34.681   90.997   1.3334   90.660   1.3970 0.3375397 1.931156 
1 1 1    3   11   12 o   27.050   1.1211  100.256   8.3045  110.199   11.541   89.579   11.959   28.312   1.4939   25.498   1.7229 2.813940 2.280377 
1 1 1    3   11   13 o   54.052   1.1380  400.356   16.843  389.469   38.441  402.943   18.738   53.215   2.6379   54.221   1.2620 -1.006062 2.924277 
1 1 1    3   11   14 o   81.513   0.8920  910.250   19.911  955.826   29.729  873.174   26.814   83.502   1.3002   79.815   1.2268 3.686554 1.787604 
1 1 1    3   11   15 o   90.781   0.9546  1129.20   23.730  1142.50   34.546  1117.32   32.654   91.276   1.3821   90.271   1.3210 1.005089 1.911859 
1 1 1    3   11   16 o   56.192   0.9250  432.683   14.233  443.983   21.659  424.094   18.883   56.892   1.3903   55.613   1.2399 1.278263 1.862876 
1 1 1    3   11   17 o   46.024   1.0551  290.387   13.297  302.012   17.462  274.341   20.515   46.916   1.3592   44.691   1.6764 2.225552 2.158152 
1 1 1    3   11   18 o   37.713   1.1547  195.077   11.925  181.305   16.742  209.259   16.989   36.321   1.6833   39.028   1.5897 -2.707653 2.315265 
1 1 1    3   11   19 o   40.892   1.3039  229.557   14.600  239.960   18.520  212.476   23.731   41.778   1.6188   39.180   2.2211 2.597881 2.748411 
1 1 1    3   11   20 o   35.721   1.6540  175.567   16.179  166.928   24.820  181.950   21.334   34.602   2.6394   36.238   2.1597 -1.636288 3.410341 
1 1 1    3   11   21 o   53.043   1.0989  386.277   15.962  396.727   22.638  375.945   22.510   53.686   1.5399   52.255   1.5731 1.431126 2.201347 
1 1 1    3   11   22 o   19.085   2.4260   51.542   12.392   52.638   17.260   50.376   17.802   18.998   3.4445   18.517   3.6408 0.4819431 5.011963 
1 1 1    3   11   23 o   28.513   1.7547  113.277   13.634  128.259   20.655  101.707   18.151   30.076   2.5315   26.770   2.5052 3.305809 3.561525 
1 1 1    3   11   24 o   10.087   3.7678   12.863   13.992   23.367   17.012  -9.1039   24.601   12.451   4.2039   9.4013   4.2930 3.050127 6.008504 
1 1 1    3   11   25 o   19.506   2.2598   55.383   11.847   66.357   16.832   44.611   16.677   20.914   3.0273   16.652   3.7477 4.261555 4.817654 
1 1 1    3   11   26 o   6.5627   3.0045  -5.2829   12.152   13.191   18.457 -19.4198   16.146   10.273   4.1797   6.3968   3.0846 3.876001 5.194670 
1 1 1    3   12    0 o  161.230   2.1107  3562.05   93.153  3562.05   93.153  3562.05   93.153  161.230   2.1107  161.230   2.1107 0.000000 0.000000 
1 1 1    3   12    1 o  145.365   1.5644  2894.13   62.271  2838.17   85.767  2956.51   90.555  143.930   2.1761  146.897   2.2512 -2.966873 3.131014 
1 1 1    3   12    2 o  149.377   1.7639  3056.42   72.150  2955.50  109.954  3132.74   95.613  146.845   2.7344  151.207   2.3092 -4.361526 3.578995 
1 1 1    3   12    3 o  181.272   2.1133  4502.11  104.904  4319.74  158.899  4643.01  139.667  177.479   3.2695  184.042   2.7713 -6.563232 4.286035 
1 1 1    3   12    4 o  285.692   3.2747 11195.70  256.186 10804.32  390.328 11491.88  339.558  280.292   5.0855  289.257   4.2869 -8.965363 6.651241 
1 1 1    3   12    5 o  139.950   1.6817  2683.17   64.448  2651.61  100.168  2705.46   84.188  139.068   2.6304  140.502   2.1881 -1.434784 3.421506 
1 1 1    3   12    6 o  138.782   1.6617  2638.83   63.150  2541.06   96.705  2711.52   83.385  136.122   2.5944  140.648   2.1650 -4.526154 3.379064 
1 1 1    3   12    7 o   93.020   1.0844  1185.11   27.623  1057.98   43.066  1273.97   36.005   87.863   1.7899   96.434   1.3634 -8.571442 2.250083 
1 1 1    3   12    8 o   51.328   0.7987  360.804   11.225  334.425   16.972  381.316   14.967   49.407   1.2545   52.762   1.0359 -3.355171 1.626874 
1 1 1    3   12    9 o   67.294   0.8325  620.226   15.342  612.279   24.241  625.535   19.814   66.845   1.3243   67.574   1.0708 -0.7293320 1.703084 
1 1 1    3   12   10 o   52.676   0.9430  380.099   13.602  394.021   22.032  371.523   17.291   53.611   1.5008   52.069   1.2127 1.541481 1.929485 
1 1 1    3   12   11 o   22.303   1.2197   68.369   7.4208   47.836   10.158   91.874   10.868   18.558   2.0320   25.839   1.5430 -7.281185 2.551412 
1 1 1    3   12   12 o   53.321   0.7861  389.432   11.478  407.287   16.672  373.344   15.825   54.518   1.1167   52.197   1.1072 2.320770 1.572539 
1 1 1    3   12   13 o   83.991   1.0569  966.684   24.309  943.809   41.367  978.750   30.044   82.924   1.8217   84.496   1.2985 -1.571892 2.237138 
1 1 1    3   12   14 o   38.106   0.9353  198.956   9.7591  198.067   13.865  199.828   13.739   38.006   1.3322   38.175   1.3142 -0.1692886 1.871370 
1 1 1    3   12   15 o   86.921   0.9498  1035.36   22.606  1077.05   33.378  1000.04   30.726   88.612   1.3756   85.392   1.3140 3.219887 1.902347 
1 1 1    3   12   16 o   28.381   1.2823  110.492   9.9659  101.326   14.250  119.266   13.943   27.078   1.9346   29.412   1.7388 -2.334427 2.601204 
1 1 1    3   12   17 o   8.0730   3.3134   3.0715   11.727   7.4887   14.087  -6.8988   21.164   9.4803   3.7196   9.3393   4.1456 0.1409874 5.569701 
1 1 1    3   12   18 o   37.387   1.3360  191.912   13.677  179.475   16.974  214.938   23.096   36.123   1.7160   39.423   2.1475 -3.299961 2.748910 
1 1 1    3   12   19 o   10.250   3.4611   13.760   11.531   8.1881   15.931   19.892   16.713   9.9899   3.9441   12.274   4.1666 -2.283896 5.737275 
1 1 1    3   12   20 o   15.986   2.8298   36.593   11.934   46.300   17.035   27.236   16.725   17.841   3.6107   13.757   4.1180 4.084243 5.476798 
1 1 1    3   12   21 o   29.258   1.5956  118.389   12.735  110.983   17.887  126.002   18.136   28.162   2.3407   30.050   2.2197 -1.888020 3.225825 
1 1 1    3   12   22 o   45.935   1.1452  290.440   14.406  295.579   20.279  285.204   20.468   46.222   1.6021   45.390   1.6467 0.8317146 2.297499 
1 1 1    3   12   23 o   20.821   2.3298   62.000   13.056   59.430   16.901   65.803   20.561   20.021   3.1898   20.806   3.7465 -0.7854366 4.920509 
1 1 1    3   12   24 o   21.399   2.1896   65.973   12.650   67.929   16.438   63.132   19.810   21.343   2.8866   20.027   3.7499 1.315868 4.732256 
1 1 1    3   12   25 o   7.2931   3.1586   1.0916   11.626   14.340   15.330 -16.8443   17.837   10.179   3.9115   7.0319   3.3509 3.147423 5.150544 
1 1 1    3   13    0 o   21.043   1.3832   61.424   7.8916   61.424   7.8916   61.424   7.8916   21.043   1.3832   21.043   1.3832 0.000000 0.000000 
1 1 1    3   13    1 o  180.597   1.7744  4468.98   87.753  4617.08  137.782  4367.91  113.824  183.468   2.7425  178.494   2.3287 4.974152 3.597804 
1 1 1    3   13    2 o  147.867   1.4904  2995.36   60.349  2906.22   90.935  3065.52   80.676  145.595   2.2809  149.557   1.9699 -3.962280 3.013777 
1 1 1    3   13    3 o   83.023   1.0287  944.035   23.388  965.579   41.113  933.727   28.439   83.941   1.7886   82.563   1.2579 1.377747 2.186618 
1 1 1    3   13    4 o  218.394   2.3046  6540.99  137.823  6256.26  227.676  6705.67  173.153  213.266   3.8986  221.029   2.8608 -7.762909 4.835610 
1 1 1    3   13    5 o  121.104   1.3547  2009.37   44.925  1934.08   74.847  2051.78   56.168  118.740   2.3019  122.354   1.6764 -3.613922 2.847669 
1 1 1    3   13    6 o   90.445   1.1930  1120.69   29.546  1048.45   45.152  1174.79   39.074   87.443   1.8856   92.584   1.5412 -5.141197 2.435355 
1 1 1    3   13    7 o   29.604   1.0602  120.058   8.5946  119.055   12.319  121.009   11.997   29.431   1.5338   29.713   1.4744 -0.2820282 2.127583 
1 1 1    3   13    8 o   26.217   0.8845   94.149   6.3501   96.631   11.481   93.056   7.6222   26.500   1.5895   26.062   1.0681 0.4381790 1.914965 
1 1 1    3   13    9 f  103.767   1.0536  1475.28   29.939  1460.57   47.455  1485.00   38.588  103.196   1.6793  104.086   1.3538 -0.8903961 2.157088 
1 1 1    3   13   10 o   65.392   0.8630  585.752   15.453  589.256   20.119  580.711   24.133   65.576   1.1204   65.087   1.3540 0.4892654 1.757467 
1 1 1    3   13   11 o  118.291   1.1770  1917.70   38.125  1974.64   53.817  1860.34   54.017  119.980   1.6380  116.449   1.6940 3.531746 2.356415 
1 1 1    3   13   12 o   92.144   0.9395  1163.29   23.707  1187.35   34.923  1142.73   32.285   93.056   1.3705   91.298   1.2914 1.758003 1.883040 
1 1 1    3   13   13 o   65.970   0.9137  596.301   16.506  585.916   25.709  603.584   21.528   65.358   1.4365   66.355   1.1848 -0.9971313 1.862046 
1 1 1    3   13   14 o   36.205   1.0507  179.672   10.417  193.293   16.814  171.187   13.271   37.523   1.6364   35.326   1.3719 2.196690 2.135400 
1 1 1    3   13   15 f   31.566   1.1698  136.641   10.112  144.491   15.176  130.372   13.561   32.385   1.7174   30.769   1.6151 1.615995 2.357578 
1 1 1    3   13   16 f   56.870   0.9555  443.354   14.879  431.185   22.146  453.367   20.089   56.040   1.4431   57.481   1.2763 -1.440739 1.926547 
1 1 1    3   13   17 o   45.664   1.1168  286.053   13.965  274.629   18.355  301.758   21.521   44.708   1.4992   46.844   1.6777 -2.135666 2.249980 
1 1 1    3   13   18 o   20.467   2.2140   58.507   12.211   52.940   15.360   68.069   20.130   19.294   3.0052   21.812   3.4878 -2.517868 4.603849 
1 1 1    3   13   19 o   45.900   1.0678  289.151   13.421  296.264   19.443  282.676   18.549   46.403   1.5301   45.332   1.4943 1.071487 2.138726 
1 1 1    3   13   20 o   7.5005   3.1812   0.7361   11.344   10.719   15.886  -9.6505   16.204   10.336   3.9792   7.6433   3.4878 2.692849 5.291366 
1 1 1    3   13   21 o   24.030   1.9427   80.701   12.674   78.652   19.363   82.236   16.765   23.361   3.1037   24.076   2.5832 -0.7147064 4.038092 
1 1 1    3   13   22 o   15.871   2.9322   37.141   12.274   30.150   18.037   43.168   16.749   14.001   4.2951   16.822   3.7334 -2.821556 5.690873 
1 1 1    3   13   23 o   14.947   3.0678   33.944   12.136   43.478   15.715   19.856   19.102   16.722   3.5421   11.818   4.4047 4.904337 5.652282 
1 1 1    3   13   24 o   32.046   1.4693  143.966   12.894  148.187   16.914  138.111   19.922   32.192   1.9276   30.731   2.3860 1.461037 3.067321 
1 1 1    3   13   25 o   18.874   2.5950   53.823   13.057   46.000   15.908   69.975   22.858   16.745   3.5778   20.078   4.2878 -3.332617 5.584466 
1 1 1    3   14    0 o   48.808   1.0420  326.685   13.912  326.685   13.912  326.685   13.912   48.808   1.0420   48.808   1.0420 0.000000 0.000000 
1 1 1    3   14    1 o   86.348   0.8572  1021.19   20.268  991.435   29.812  1046.76   27.637   85.064   1.2798   87.411   1.1546 -2.347084 1.723698 
1 1 1    3   14    2 o   21.701   1.2499   64.736   7.3962   50.017   14.884   69.562   8.5229   18.847   2.9834   22.487   1.3909 -3.640162 3.291657 
1 1 1    3   14    3 o   79.380   0.9634  863.115   20.941  845.506   33.509  874.399   26.824   78.538   1.5581   79.886   1.2262 -1.348206 1.982753 
1 1 1    3   14    4 o   97.619   1.1057  1305.57   29.556  1213.52   45.174  1374.48   39.082   94.069   1.7537  100.141   1.4252 -6.071442 2.259770 
1 1 1    3   14    5 o   21.887   1.5934   66.029   9.4846   83.610   25.097   63.100   10.244   24.311   3.9019   21.376   1.7659 2.934629 4.282853 
1 1 1    3   14    6 o  147.543   1.6498  2985.37   66.654  2729.16  111.740  3126.90   83.048  140.834   2.8974  150.941   2.0092 -10.10756 3.525923 
1 1 1    3   14    7 o   34.269   1.1035  160.913   10.355  152.988   18.666  164.436   12.446   33.321   2.0557   34.637   1.3122 -1.316086 2.438827 
1 1 1    3   14    8 o   45.191   0.8672  279.754   10.731  273.117   15.053  286.610   15.301   44.641   1.2314   45.731   1.2219 -1.089764 1.734779 
1 1 1    3   14    9 o   49.612   0.7631  337.142   10.368  328.366   16.685  342.663   13.232   48.946   1.2448   50.011   0.9662 -1.064785 1.575823 
1 1 1    3   14   10 o   52.865   0.8548  382.859   12.375  365.265   18.596  396.845   16.579   51.617   1.3156   53.811   1.1251 -2.194481 1.731123 
1 1 1    3   14   11 o   29.425   0.9364  118.635   7.5453  112.726   10.887  124.096   10.467   28.671   1.3867   30.086   1.2704 -1.415047 1.880699 
1 1 1    3   14   12 o   55.286   0.8683  418.783   13.145  418.588   17.443  419.039   19.996   55.258   1.1528   55.277   1.3210 -0.1898193E-01 1.753273 
1 1 1    3   14   13 o   61.859   0.9104  524.376   15.422  535.211   24.432  517.200   19.883   62.454   1.4286   61.415   1.1823 1.038834 1.854362 
1 1 1    3   14   14 o   54.240   0.8623  403.163   12.807  407.619   18.457  399.026   17.786   54.513   1.2365   53.938   1.2042 0.5750427 1.725947 
1 1 1    3   14   15 o   86.490   0.9765  1025.55   23.127  1064.67   33.596  990.322   31.884   88.064   1.3932   84.937   1.3708 3.127007 1.954500 
1 1 1    3   14   16 o   27.007   1.4058  100.445   10.361  108.423   14.659   92.481   14.646   27.994   1.9240   25.818   2.0896 2.175976 2.840413 
1 1 1    3   14   17 o   54.239   1.0198  403.532   15.146  402.111   20.091  405.404   23.054   54.105   1.3560   54.299   1.5504 -0.1940765 2.059773 
1 1 1    3   14   18 o   37.402   1.1779  192.094   12.064  215.815   17.577  170.967   16.588   39.592   1.6212   35.227   1.7196 4.365170 2.363374 
1 1 1    3   14   19 o   29.671   1.5059  121.575   12.195  113.833   18.757  127.245   16.051   28.511   2.4255   30.271   1.9466 -1.759596 3.110061 
1 1 1    3   14   20 o   21.711   1.8463   65.808   10.872   68.953   15.981   63.098   14.834   21.991   2.7113   21.047   2.6312 0.9431248 3.778151 
1 1 1    3   14   21 o   13.663   2.9244   27.652   10.611   27.497   18.035   27.734   13.123   13.494   4.3173   13.540   3.5102 -0.4527473E-01 5.564212 
1 1 1    3   14   22 o   35.565   1.4376  175.987   14.001  155.557   17.081  217.825   24.443   33.198   1.8867   39.029   2.2972 -5.831161 2.972621 
1 1 1    3   14   23 o   26.553   1.6590   99.724   12.002  111.824   17.910   89.861   16.171   27.665   2.3876   24.763   2.4154 2.901340 3.396300 
1 1 1    3   14   24 o   17.924   2.6443   48.659   12.589   43.417   15.671   58.199   21.140   16.264   3.6127   18.300   4.2926 -2.036243 5.610549 
1 1 1    3   15    0 o   46.855   1.2451  301.368   15.950  301.368   15.950  301.368   15.950   46.855   1.2451   46.855   1.2451 0.000000 0.000000 
1 1 1    3   15    1 o  127.881   1.1602  2240.90   40.628  2187.18   59.879  2286.73   55.306  126.276   1.7317  129.139   1.5640 -2.863274 2.333373 
1 1 1    3   15    2 o   64.856   1.0109  576.274   17.954  534.065   25.181  619.920   25.606   62.414   1.4733   67.249   1.3905 -4.834751 2.025870 
1 1 1    3   15    3 o   18.842   1.4671   48.965   7.5100   82.313   16.114   39.712   8.4882   24.352   2.4497   16.911   1.8640 7.441875 3.078203 
1 1 1    3   15    4 o   88.501   1.0454  1073.13   25.335  1042.01   40.207  1093.62   32.627   87.160   1.6846   89.322   1.3339 -2.162025 2.148753 
1 1 1    3   15    5 f  104.136   1.5923  1487.23   45.407  1498.19  115.564  1485.23   49.378  104.052   4.0559  104.051   1.7330 0.1197815E-02 4.410583 
1 1 1    3   15    6 o   21.976   1.4759   66.521   8.8303   69.157   17.261   65.587   10.277   22.226   2.9056   21.796   1.7363 0.4300537 3.384857 
1 1 1    3   15    7 o  105.206   1.1987  1517.01   34.533  1443.25   53.750  1568.86   45.065  102.535   1.9143  106.953   1.5387 -4.418610 2.456056 
1 1 1    3   15    8 o   66.427   1.0605  604.680   19.291  576.277   30.859  622.898   24.715   64.801   1.7390   67.403   1.3390 -2.601990 2.194818 
1 1 1    3   15    9 o  123.473   1.4053  2090.81   47.514  2099.86   57.269  2070.82   85.111  123.694   1.6907  122.655   2.5340 1.039383 3.046297 
1 1 1    3   15   10 o   60.239   0.7496  497.101   12.365  502.870   17.583  491.456   17.393   60.572   1.0600   59.881   1.0607 0.6914139 1.499607 
1 1 1    3   15   11 o   40.914   0.7904  229.344   8.8552  244.295   13.181  217.047   11.955   42.212   1.1403   39.790   1.0971 2.421738 1.582437 
1 1 1    3   15   12 o   46.107   0.8476  291.304   10.702  301.594   16.438  283.734   14.099   46.889   1.2802   45.489   1.1319 1.400166 1.708847 
1 1 1    3   15   13 o  106.669   1.1626  1560.62   33.958  1556.93   52.185  1563.32   44.722  106.416   1.7908  106.694   1.5307 -0.2775803 2.355869 
1 1 1    3   15   14 o   47.944   0.9316  315.115   12.231  290.965   18.047  335.635   16.635   46.030   1.4317   49.457   1.2283 -3.426670 1.886416 
1 1 1    3   15   15 o   46.055   1.0120  290.892   12.762  330.275   20.849  267.294   16.139   49.018   1.5533   44.120   1.3358 4.898193 2.048685 
1 1 1    3   15   16 o   26.383   1.6145   96.112   11.608  115.138   14.530   62.545   19.300   28.850   1.8489   20.875   3.5001 7.975086 3.958447 
1 1 1    3   15   17 o   32.419   1.3421  144.463   11.914  134.962   15.421  158.534   18.766   31.233   1.8108   33.816   2.0361 -2.582264 2.724865 
1 1 1    3   15   18 o   20.350   1.8646   57.708   10.275   66.096   14.478   49.197   14.584   21.653   2.4870   18.515   2.9775 3.137712 3.879492 
1 1 1    3   15   19 o   60.624   1.0422  505.276   17.301  506.563   22.772  503.519   26.609   60.610   1.3720   60.347   1.6102 0.2627792 2.115439 
1 1 1    3   15   20 o   29.920   1.3919  123.850   11.404  142.930   16.226  105.222   16.032   31.961   1.8620   27.301   2.1621 4.659859 2.853401 
1 1 1    3   15   21 o   13.027   2.9771   25.687   10.388   38.221   16.776   17.893   13.229   15.521   3.9401   11.009   3.7072 4.512090 5.409939 
1 1 1    3   15   22 o   10.307   3.6234   15.767   12.678   13.644   18.279   17.735   17.600   10.520   4.2019   11.106   4.2091 -0.5861168 5.947489 
1 1 1    3   15   23 o   16.228   2.4463   39.418   10.533   38.627   17.949   39.834   13.009   14.910   4.2109   15.930   3.0937 -1.019834 5.225138 
1 1 1    3   16    0 o  113.500   1.5786  1766.37   49.044  1766.37   49.044  1766.37   49.044  113.500   1.5786  113.500   1.5786 0.000000 0.000000 
1 1 1    3   16    1 o   52.880   0.7357  383.009   10.654  382.544   15.177  383.461   14.958   52.838   1.0490   52.902   1.0326 -0.6391907E-01 1.471919 
1 1 1    3   16    2 o   32.625   1.1281  145.863   10.078  156.678   16.858  139.847   12.572   33.738   1.8316   31.936   1.4376 1.802292 2.328402 
1 1 1    3   16    3 f   47.463   1.0499  308.691   13.646  297.613   20.285  317.849   18.443   46.580   1.5903   48.147   1.3988 -1.567566 2.117996 
1 1 1    3   16    4 o   97.271   1.2096  1296.89   32.219  1232.77   59.813  1323.10   38.241   94.699   2.3065   98.228   1.4217 -3.529655 2.709481 
1 1 1    3   16    5 o   59.318   1.0416  482.162   16.919  402.693   34.789  506.782   19.364   54.116   2.3476   60.807   1.1629 -6.690804 2.619843 
1 1 1    3   16    6 o   35.993   1.1083  177.560   10.924  145.038   20.293  190.827   12.962   32.396   2.3026   37.308   1.2687 -4.912502 2.628983 
1 1 1    3   16    7 o   73.250   1.0335  735.329   20.730  740.756   34.687  732.314   25.855   73.458   1.7244   73.080   1.2920 0.3778381 2.154724 
1 1 1    3   16    8 o   47.296   1.0743  306.611   13.914  323.494   25.531  299.478   16.595   48.522   1.9215   46.731   1.2968 1.791130 2.318138 
1 1 1    3   16    9 o   55.332   1.0075  419.636   15.266  419.815   19.529  419.356   24.477   55.325   1.2890   55.267   1.6173 0.5775833E-01 2.068192 
1 1 1    3   16   10 o   31.424   1.3444  135.483   11.569  119.664   20.235  143.165   14.101   29.347   2.5431   32.289   1.5947 -2.942263 3.001763 
1 1 1    3   16   11 o   16.791   1.3564   38.945   6.1836   34.164   9.8298   42.075   7.9546   15.565   2.3820   17.418   1.6890 -1.852391 2.919998 
1 1 1    3   16   12 o   79.999   0.9366  877.333   20.519  877.776   31.455  877.004   27.072   79.953   1.4367   79.948   1.2366 0.5371094E-02 1.895563 
1 1 1    3   16   13 o   33.744   1.3575  156.352   12.543  151.753   18.087  160.615   17.411   33.128   2.0031   34.106   1.8714 -0.9777069 2.741283 
1 1 1    3   16   14 o  122.942   1.2150  2074.74   40.904  2072.37   57.751  2077.12   57.944  122.717   1.7186  122.856   1.7223 -0.1390991 2.433079 
1 1 1    3   16   15 o   45.251   0.9456  280.849   11.717  256.659   16.109  308.024   17.074   43.218   1.3612   47.351   1.3168 -4.133026 1.893912 
1 1 1    3   16   16 o   21.254   1.9246   62.884   11.080   66.338   13.655   56.226   18.958   21.755   2.3283   19.672   3.6538 2.083534 4.332565 
1 1 1    3   16   17 o   34.699   1.2207  165.576   11.599  153.656   14.961  183.537   18.363   33.368   1.6373   36.383   1.8492 -3.015491 2.469920 
1 1 1    3   16   18 o   27.201   1.2920  101.979   9.6235  103.323   14.316  100.872   12.998   27.202   1.9345   26.918   1.7734 0.2844391 2.624356 
1 1 1    3   16   19 o   31.337   1.1700  135.487   10.040  152.062   15.379  123.174   13.254   33.015   1.7069   29.729   1.6344 3.286228 2.363257 
1 1 1    3   16   20 o   19.930   2.0855   56.782   11.213   51.857   16.662   60.859   15.159   18.402   3.4328   20.313   2.7998 -1.910734 4.429756 
1 1 1    3   16   21 o   9.4809   3.1512   13.359   9.5612   7.0983   14.385   18.314   12.797   8.9057   3.6642   10.886   3.6462 -1.980204 5.169241 
1 1 1    3   16   22 o   24.518   2.1940   87.824   14.575   86.156   24.724   88.712   18.043   22.604   4.1471   24.205   2.7722 -1.600300 4.988374 
1 1 1    3   17    0 o   54.312   1.1147  404.600   16.562  404.600   16.562  404.600   16.562   54.312   1.1147   54.312   1.1147 0.000000 0.000000 
1 1 1    3   17    1 o   36.701   0.9045  184.556   9.0899  169.052   17.779  190.043   10.577   35.036   1.8597   37.238   1.0372 -2.202065 2.129422 
1 1 1    3   17    2 o   51.088   1.0719  357.720   14.995  337.317   22.744  373.407   19.944   49.573   1.6755   52.178   1.3958 -2.604458 2.180725 
1 1 1    3   17    3 o   16.853   1.7671   39.424   8.0337   31.391   17.980   41.427   8.9799   14.834   4.2233   17.258   1.9333 -2.423931 4.644807 
1 1 1    3   17    4 o  136.494   1.5781  2556.89   58.983  2284.30   99.970  2702.46   73.054  128.676   2.8372  140.251   1.9022 -11.57556 3.415800 
1 1 1    3   17    5 o   33.661   1.1516  155.344   10.615  156.605   21.224  154.923   12.258   33.652   2.3173   33.608   1.3320 0.4349518E-01 2.672845 
1 1 1    3   17    6 o   69.250   1.0199  657.316   19.340  622.606   32.455  676.428   24.082   67.324   1.7604   70.230   1.2522 -2.906281 2.160384 
1 1 1    3   17    7 o   75.802   1.0675  787.732   22.158  792.589   37.484  785.123   27.471   75.946   1.8024   75.650   1.3261 0.2954636 2.237676 
1 1 1    3   17    8 o   83.586   1.2239  958.315   28.013  940.731   44.098  970.212   36.271   82.702   1.9472   84.054   1.5759 -1.351616 2.504998 
1 1 1    3   17    9 o   36.420   1.4810  182.124   14.770  192.264   24.931  176.641   18.333   37.248   2.4581   35.788   1.8773 1.459904 3.092972 
1 1 1    3   17   10 o   86.156   1.0740  1017.97   25.339  984.083   35.994  1051.27   35.677   84.635   1.5531   87.488   1.4892 -2.853317 2.151673 
1 1 1    3   17   11 o   31.763   1.2622  138.482   10.979  129.664   15.085  148.411   16.008   30.643   1.8057   32.794   1.7894 -2.150047 2.542188 
1 1 1    3   17   12 o   32.690   0.8966  146.513   8.0260  134.409   11.722  157.195   11.012   31.282   1.3684   33.843   1.1882 -2.560974 1.812328 
1 1 1    3   17   13 f   21.154   1.6049   61.916   9.2276   56.186   17.309   64.191   10.907   19.805   3.3082   21.502   1.8710 -1.697165 3.800647 
1 1 1    3   17   14 o   10.368   2.7307   15.491   7.8603   7.9406   11.566   21.970   10.715   8.9276   3.4053   12.306   3.1626 -3.378010 4.647357 
1 1 1    3   17   15 o   24.442   1.3254   82.407   8.8380   84.233   12.949   80.815   12.092   24.610   1.9372   24.120   1.8448 0.4898186 2.675114 
1 1 1    3   17   16 o   12.472   2.7680   22.659   9.2064   23.781   14.372   21.878   11.989   12.765   3.8165   12.223   3.4379 0.5418844 5.136655 
1 1 1    3   17   17 o   37.056   1.1890  189.177   12.065  183.847   17.014  194.568   17.112   36.410   1.7064   37.468   1.6679 -1.057278 2.386155 
1 1 1    3   17   18 o   9.1643   3.0175   11.799   8.7747   9.0106   13.619   13.778   11.474   9.3544   3.6609   9.9979   3.4508 -0.6435728 5.030925 
1 1 1    3   17   19 o   30.656   1.2223  130.276   10.260  153.959   16.296  114.720   13.207   33.040   1.8080   28.558   1.6965 4.481527 2.479278 
1 1 1    3   17   20 o   6.3268   2.9150  -6.6235   11.691 -27.5795   21.366   2.3333   13.968   7.1881   3.4860   8.0884   3.4826 -0.9003372 4.927556 
1 1 1    3   17   21 o   12.041   2.9403   22.783   9.6108   18.163   14.319   26.570   12.966   10.764   3.8436   12.705   3.5757 -1.941726 5.249609 
1 1 1    3   18    0 o   38.583   1.1630  204.533   12.262  204.533   12.262  204.533   12.262   38.583   1.1630   38.583   1.1630 0.000000 0.000000 
1 1 1    3   18    1 o   49.338   1.0731  333.730   14.498  307.609   22.060  353.590   19.235   47.322   1.7024   50.763   1.3837 -3.441799 2.193814 
1 1 1    3   18    2 o   77.601   1.1483  825.751   24.400  858.356   37.121  800.947   32.378   79.045   1.7150   76.379   1.5480 2.665291 2.310315 
1 1 1    3   18    3 o   26.916   1.2991   99.390   9.5747   85.770   26.911  101.364   10.245   24.459   4.1674   27.143   1.3829 -2.684349 4.390863 
1 1 1    3   18    4 o   17.187   1.9726   41.162   9.1158   17.353   20.049   47.367   10.235   12.340   4.5284   18.439   2.0623 -6.099506 4.975878 
1 1 1    3   18    5 f   57.766   1.0207  457.486   16.145  439.065   28.291  466.382   19.662   56.510   1.8282   58.308   1.2314 -1.798096 2.204271 
1 1 1    3   18    6 o   60.023   1.0347  493.974   17.007  500.882   29.864  490.658   20.690   60.354   1.8070   59.800   1.2635 0.5534630 2.204884 
1 1 1    3   18    7 o   79.598   1.1715  869.166   25.535  870.586   40.255  868.210   33.030   79.550   1.8479   79.503   1.5172 0.4693604E-01 2.390970 
1 1 1    3   18    8 o   67.110   1.1180  617.801   20.545  600.502   35.428  626.566   25.219   66.036   1.9592   67.554   1.3633 -1.517914 2.386833 
1 1 1    3   18    9 f   69.721   1.1446  666.945   21.853  654.809   37.595  673.139   26.857   68.937   1.9915   70.007   1.4010 -1.069801 2.434924 
1 1 1    3   18   10 o   9.9824   3.5640   12.027   12.311 -16.5565   24.965   21.211   14.151   9.3542   4.2912   12.299   3.8095 -2.945211 5.738207 
1 1 1    3   18   11 o   24.312   1.5496   81.619   10.263   70.329   13.494   97.110   15.807   22.453   2.2239   26.422   2.2048 -3.969067 3.131608 
1 1 1    3   18   12 o   59.120   0.9470  479.453   15.331  481.782   19.513  475.697   24.781   59.229   1.2031   58.797   1.5391 0.4320793 1.953542 
1 1 1    3   18   13 o   53.708   1.0491  396.027   15.429  328.298   31.382  417.617   17.718   48.634   2.3564   55.134   1.1736 -6.500320 2.632508 
1 1 1    3   18   14 o   55.466   0.8445  422.141   12.826  388.422   17.538  460.919   18.807   53.146   1.2051   57.897   1.1862 -4.751560 1.690964 
1 1 1    3   18   15 o   27.410   1.1825  103.424   8.8753  111.545   12.415   94.935   12.692   28.357   1.6054   26.112   1.7858 2.245127 2.401329 
1 1 1    3   18   16 o   34.277   1.0494  161.778   9.8501  167.765   14.229  156.269   13.649   34.805   1.4930   33.594   1.4837 1.211258 2.104867 
1 1 1    3   18   17 o   16.269   2.3394   38.281   10.122   52.440   17.244   30.837   12.503   18.548   3.5238   14.234   3.2757 4.313835 4.811217 
1 1 1    3   18   19 f   8.4171   2.9716   9.8989   8.5353   31.977   12.725  -8.1574   11.508   14.183   3.3328   6.0870   2.8346 8.096188 4.375229 
1 1 1    3   18   20 o   13.294   2.7548   27.327   9.6985   13.807   13.572   41.436   13.864   9.8130   3.7017   16.123   3.2524 -6.310253 4.927524 
1 1 1    3   19    0 o   62.845   1.0524  541.640   18.100  541.640   18.100  541.640   18.100   62.845   1.0524   62.845   1.0524 0.000000 0.000000 
1 1 1    3   19    1 o   77.538   1.0556  824.483   22.412  841.356   38.267  815.674   27.651   78.212   1.7867   77.090   1.3099 1.122093 2.215441 
1 1 1    3   19    2 o   79.690   2.3770  876.616   51.871   0.0000   0.0000  876.616   51.871  ?   ?    79.690   2.3770 0.000000 2.377033 
1 1 1    3   19    3 o   92.576   1.1492  1175.72   29.133  1151.05   47.555  1190.55   36.860   91.445   1.8991   93.105   1.4457 -1.659836 2.386796 
1 1 1    3   19    4 o   33.775   1.2112  156.541   11.202  151.043   23.818  158.103   12.694   32.931   2.6642   33.933   1.3661 -1.001987 2.993998 
1 1 1    3   19    5 o   79.092   1.1215  858.196   24.289  818.989   40.909  879.543   30.185   77.112   1.9373   80.029   1.3774 -2.916733 2.377068 
1 1 1    3   19    6 o   47.652   1.1236  311.546   14.662  257.711   26.859  334.399   17.500   43.142   2.2816   49.352   1.2949 -6.209946 2.623460 
1 1 1    3   19    7 o   69.711   1.1617  666.913   22.177  606.966   34.209  710.366   29.125   66.380   1.8820   71.895   1.4794 -5.514946 2.393858 
1 1 1    3   19    8 o   31.986   1.7883  141.337   15.601   96.144   24.803  170.922   20.068   25.969   3.5834   35.130   2.0957 -9.161036 4.151198 
1 1 1    3   19    9 o   69.980   1.1657  672.323   22.339  646.944   38.378  685.328   27.472   68.455   2.0473   70.608   1.4209 -2.152466 2.492081 
1 1 1    3   19   10 o   69.571   1.2289  664.907   23.411  644.767   38.389  676.833   29.540   68.306   2.0524   70.126   1.5383 -1.819633 2.564878 
1 1 1    3   19   11 o   43.936   1.4558  265.727   17.515  276.880   39.392  262.978   19.555   44.257   3.2736   43.677   1.6350 0.5799561 3.659208 
1 1 1    3   19   12 o   56.154   1.1736  433.543   18.046  443.368   25.398  423.525   25.645   56.675   1.6365   55.377   1.6912 1.297951 2.353358 
1 1 1    3   19   13 f   43.171   1.1440  256.433   13.524  259.928   18.445  252.369   19.889   43.374   1.5530   42.700   1.7010 0.6737404 2.303269 
1 1 1    3   19   14 o   11.034   2.0803   17.541   6.0549   8.1609   9.1070   24.972   8.1061   8.3057   3.0514   13.152   2.3363 -4.846683 3.843083 
1 1 1    3   19   15 o   18.353   1.9928   47.764   9.8544   45.078   11.350   55.990   19.862   17.686   2.4060   19.048   3.9381 -1.361477 4.614852 
1 1 1    3   19   16 o   19.618   1.4010   53.791   7.4766   48.931   10.355   59.083   10.806   18.477   2.0829   20.372   1.9613 -1.894938 2.861021 
1 1 1    3   19   17 o   16.084   2.2194   37.783   9.5147   19.033   13.259   57.686   13.661   11.086   3.7115   19.727   2.5917 -8.641506 4.526798 
1 1 1    3   19   18 o   13.334   2.3343   26.533   8.2126   28.119   12.337   25.271   11.005   13.207   3.3932   12.611   3.1859 0.5964642 4.654415 
1 1 1    3   19   19 o   11.067   2.8732   19.285   8.7836   11.388   13.745   24.736   11.420   9.3498   3.6723   12.335   3.3114 -2.984702 4.944827 
1 1 1    3   20    0 o   5.2035   2.8961   5.0822   6.1168   5.0822   6.1168   5.0822   6.1168   5.2035   2.8961   5.2035   2.8961 0.000000 0.000000 
1 1 1    3   20    1 f   37.072   1.0977  188.570   11.144  207.011   99.489  188.336   11.215   35.302   9.8942   37.049   1.1054 -1.746174 9.955779 
1 1 1    3   20    2 o   43.265   1.3424  257.114   15.904  254.711   35.160  257.733   17.832   42.683   3.0278   43.300   1.5039 -0.6167259 3.380785 
1 1 1    3   20    3 o   64.361   1.0512  568.312   18.527  520.117   33.094  590.313   22.360   61.417   1.9677   65.569   1.2453 -4.151794 2.328691 
1 1 1    3   20    4 o   30.536   1.3535  128.114   11.318  133.453   31.852  127.342   12.108   30.560   3.8949   30.436   1.4527 0.1234455 4.156980 
1 1 1    3   20    5 o   46.858   1.1121  301.356   14.269  292.471   28.314  304.380   16.521   45.990   2.2483   47.074   1.2816 -1.083939 2.587935 
1 1 1    3   20    6 o   23.899   1.7760   79.146   11.540  104.953   24.342   71.664   13.107   27.181   3.3407   22.673   2.1363 4.508799 3.965342 
1 1 1    3   20    7 o   16.872   2.4983   40.345   11.194   30.012   23.847   43.265   12.677   14.755   4.9773   17.427   2.7476 -2.672344 5.685273 
1 1 1    3   20    8 o   24.511   2.1409   83.817   14.225   66.980   24.327   92.566   17.536   21.279   4.3224   25.678   2.5266 -4.399094 5.006721 
1 1 1    3   20    9 o   6.9486   3.0834  -3.6676   11.699   31.725   24.161 -14.5077   13.371   14.964   5.0101   6.2933   2.9700 8.671134 5.824269 
1 1 1    3   20   10 o   22.938   2.0061   73.547   12.474   74.230   24.487   73.308   14.496   22.340   4.1558   22.813   2.3543 -0.4731274 4.776325 
1 1 1    3   20   11 o   43.165   1.3959  257.091   16.500  221.783   41.597  263.683   17.974   38.884   3.9620   43.688   1.5024 -4.804283 4.237302 
1 1 1    3   20   12 o   30.134   1.6365  126.322   13.453  103.721   25.797  134.764   15.767   26.468   3.6569   31.056   1.8626 -4.588030 4.103966 
1 1 1    3   20   13 o   10.917   3.6649   17.109   12.929   39.611   23.283   7.0760   15.546   15.714   4.8897   9.4078   3.8328 6.305956 6.212840 
1 1 1    3   20   14 o   26.948   1.6349  101.846   12.007   89.054   13.975  137.921   23.468   25.018   2.0582   30.694   2.8238 -5.676273 3.494256 
1 1 1    3   20   15 o   16.940   1.4020   40.290   6.4450   30.779   9.5769   48.164   8.7134   14.384   2.5234   18.411   1.7494 -4.026596 3.070474 
1 1 1    3   20   16 o   18.529   1.9006   49.369   9.5069   41.962   11.646   64.163   16.459   16.709   2.6325   20.460   3.0292 -3.751699 4.013229 
1 1 1    3   20   17 o   14.399   2.3092   30.916   8.7977   36.498   13.907   27.192   11.359   14.982   3.4598   13.029   3.2058 1.952586 4.716676 
1 1 1    3   21    0 o   26.707   1.5634   98.940   11.344   98.940   11.344   98.940   11.344   26.707   1.5634   26.707   1.5634 0.000000 0.000000 
1 1 1    3   21    1 o   35.859   1.4589  176.966   14.326  132.552   38.167  184.249   15.456   29.974   4.8128   36.579   1.5431 -6.604153 5.054140 
1 1 1    3   21    2 o   23.787   1.6882   78.400   10.925   96.056   21.594   72.325   12.665   26.011   3.0922   22.775   2.0528 3.235939 3.711536 
1 1 1    3   21    3 f   14.669   2.3244   30.572   9.0255   45.139   19.824   26.763   10.137   17.435   4.2018   13.604   2.8141 3.830932 5.057092 
1 1 1    3   21    4 o   24.478   1.5326   82.870   10.221   55.241   23.185   89.536   11.387   19.216   4.4875   25.428   1.6442 -6.212435 4.779280 
1 1 1    3   21    5 o   47.625   1.1176  311.666   14.575  266.875   28.266  327.887   17.010   43.736   2.3690   48.823   1.2723 -5.086464 2.689013 
1 1 1    3   21    6 o   43.183   1.2715  256.625   15.036  194.110   25.116  291.544   18.771   37.214   2.4788   45.983   1.4908 -8.768894 2.892568 
1 1 1    3   21    7 o   27.848   1.6489  107.568   12.518   94.642   30.988  110.089   13.684   25.002   4.6986   28.142   1.7849 -3.139690 5.026164 
1 1 1    3   21    8 o   32.851   1.7644  150.020   15.814  123.827   32.405  158.208   18.117   28.814   4.2331   33.675   1.9734 -4.860439 4.670471 
1 1 1    3   21    9 o   35.419   1.4585  173.472   14.146  142.407   27.230  184.954   16.555   31.360   3.2163   36.520   1.6554 -5.160048 3.617342 
1 1 1    3   21   10 o   24.812   2.4766   87.957   16.602   74.086   24.622   99.521   22.482   21.890   4.2609   26.052   3.2200 -4.161850 5.340708 
1 1 1    3   21   11 o   53.453   1.3663  396.123   19.999  391.265   45.217  397.304   22.298   51.610   3.2155   53.452   1.5234 -1.841949 3.558098 
1 1 1    3   21   12 o   14.930   3.0650   33.833   12.111   11.074   22.522   43.093   14.365   10.968   4.5554   16.812   3.2377 -5.843987 5.588762 
1 1 1    3   21   13 o   41.331   1.3622  238.110   15.417  213.424   25.091  253.082   19.541   38.357   2.4009   42.413   1.6825 -4.055611 2.931782 
1 1 1    3   21   14 o   9.9296   3.7305   13.700   13.755   14.596   19.649   12.838   19.261   10.745   4.3336   10.451   4.2629 0.2943478 6.078857 
1 1 1    3   21   15 o   21.902   1.9234   69.167   11.419  105.588   17.968   44.490   14.790   26.665   2.4895   16.684   3.3535 9.980970 4.176528 
1 1 1    3   22    0 o   27.216   1.0380  102.071   7.7101  102.071   7.7101  102.071   7.7101   27.216   1.0380   27.216   1.0380 0.000000 0.000000 
1 1 1    3   22    1 o   13.257   2.1040   25.053   7.3831 -32.4208   20.948   33.205   7.8894   7.1317   3.4571   15.348   1.9191 -8.216211 3.954044 
1 1 1    3   22    2 o   13.778   2.8055   27.716   10.225   8.0666   19.231   35.461   12.074   10.455   4.2616   15.592   2.9355 -5.136543 5.174774 
1 1 1    3   22    3 o   43.622   1.0728  261.801   12.815  234.691   26.785  269.849   14.594   40.841   2.4057   44.260   1.2041 -3.419044 2.690196 
1 1 1    3   22    4 o   12.426   2.7815   22.679   9.2282   19.418   21.770   23.393   10.189   12.489   4.6929   12.580   3.0000 -0.9061527E-01 5.569876 
1 1 1    3   22    5 o   24.030   2.2558   81.679   14.670   79.673   20.553   83.763   20.945   23.312   3.3129   23.925   3.2835 -0.6135311 4.664377 
1 1 1    3   22    6 o   25.722   1.6330   92.254   11.442   45.030   20.227  114.478   13.876   16.975   4.3360   28.618   1.7795 -11.64307 4.686911 
1 1 1    3   22    7 o   22.938   2.1291   74.601   13.221   71.381   24.715   75.891   15.649   21.333   4.3776   22.979   2.5287 -1.646759 5.055489 
1 1 1    3   22    8 o   12.071   3.6360   22.230   13.008   11.258   23.901   26.848   15.506   11.331   4.6982   13.147   3.9719 -1.816331 6.152174 
1 1 1    3   22    9 o   30.219   1.5306  127.684   12.625  105.533   23.662  136.499   14.927   26.455   3.3408   31.146   1.7573 -4.691187 3.774853 
1 1 1    3   22   10 o   11.241   3.7433   19.342   13.490   0.0000   0.0000   19.342   13.490  ?   ?    11.241   3.7433 0.000000 3.743336 
1 1 1    3   22   11 o   6.1979   2.8471  -6.0365   11.041  -3.5237   20.634  -7.0446   13.069   8.8337   3.9933   6.6983   3.0846 2.135422 5.045920 
1 1 1    3   22   12 o   16.478   2.6203   40.866   11.427   54.863   20.606   34.650   13.733   17.943   4.2579   14.669   3.4726 3.274114 5.494386 
1 1 1    3   22   13 o   22.779   2.1323   75.684   13.146   60.097   20.653   86.301   17.045   18.780   4.1285   23.959   2.6419 -5.179420 4.901453 
1 1 1    3   23    0 o   7.6606   5.2187 -12.8099   33.661 -12.8099   33.661 -12.8099   33.661   7.6606   5.2187   7.6606   5.2187 0.000000 0.000000 
1 1 1    3   23    1 o   4.9864   2.2175  -1.9290   6.0832   7.5059   9.7621  -7.9184   7.7779   8.2086   3.1291   4.8343   2.2765 3.374347 3.869574 
1 1 1    3   23    2 o   43.137   1.3530  258.135   15.982  197.511   24.771  301.371   20.919   37.117   2.4509   46.466   1.6441 -9.349438 2.951270 
1 1 1    3   23    3 o   26.682   1.3234   98.758   9.6694   77.972   19.423  105.607   11.149   22.838   3.1930   27.508   1.4857 -4.669395 3.521724 
1 1 1    3   23    4 o   9.0740   3.1895   11.242   9.8237   15.522   22.297   10.211   10.943   11.547   4.6308   9.0037   3.3382 2.543581 5.708548 
1 1 1    3   23    5 f   9.9609   3.1897   14.729   9.8428  -6.9211   19.390   22.244   11.424   8.3951   3.8249   11.988   3.3503 -3.592666 5.084668 
1 1 1    3   23    6 o   13.345   3.0288   27.311   10.815   11.513   19.290   34.552   13.060   10.466   4.2673   14.927   3.2844 -4.460671 5.384848 
1 1 1    3   23    7 o   9.9458   3.4087   14.603   11.186   3.2141   22.707   18.253   12.855   9.9126   4.3513   10.908   3.6544 -0.9951382 5.682302 
1 1 1    3   23    8 o   23.118   1.8296   76.233   11.488   55.224   21.742   84.370   13.530   17.960   4.4449   24.200   2.0614 -6.240013 4.899700 
1 1 1    3   23    9 o   7.0832   3.0393   1.5211   10.571   11.583   20.070  -2.3423   12.436   10.341   4.2980   7.0370   3.1471 3.304126 5.327032 
1 1 1    3   23   10 o   7.2971   3.1422   1.7136   11.373  -0.4156   24.823   2.2793   12.795   9.6567   4.3713   7.7308   3.3309 1.925968 5.495736 
1 1 1    3   23   11 o   16.710   2.5028   42.064   11.100   11.239   20.231   55.339   13.277   10.161   4.2756   19.138   2.6008 -8.976749 5.004512 
1 1 1    3   24    0 o   13.589   4.3133   33.859   14.125   33.859   14.125   33.859   14.125   13.589   4.3133   13.589   4.3133 0.000000 0.000000 
1 1 1    3   24    1 o   26.407   1.1833   96.937   8.5564   44.934   13.074  135.900   11.317   17.182   2.8806   31.208   1.3242 -14.02545 3.170409 
1 1 1    3   24    2 o   7.4812   3.0872   4.1723   10.249   0.5562   15.386   7.0561   13.740   8.1553   3.5808   8.7435   3.5874 -0.5881824 5.068690 
1 1 1    3   24    3 o   12.206   2.7156   22.823   8.8423   5.4170   16.606   29.711   10.446   9.0171   3.8375   13.908   2.8391 -4.890627 4.773562 
1 1 1    3   24    4 o   13.086   2.8673   26.496   9.9904   45.442   22.297   21.736   11.175   15.881   4.7550   11.668   3.3322 4.213634 5.806317 
1 1 1    3   24    5 o   17.514   2.0856   44.723   9.8058   5.5154   17.888   61.566   11.724   9.1981   3.9504   20.567   2.1118 -11.36853 4.479399 
1 1 1    3   24    6 o   10.860   3.2216   18.762   10.270 -20.7131   22.526   29.120   11.539   7.7477   3.7119   13.528   3.1703 -5.780521 4.881498 
1 1 1    3   24    7 o   18.382   2.3783   50.292   11.691   42.560   32.694   51.426   12.519   14.545   5.6779   18.491   2.5393 -3.946547 6.219802 
1 1 1    4    0    0 o  354.345   6.3880 17228.46  619.386 17228.46  619.386 17228.46  619.386  354.345   6.3880  354.345   6.3880 0.000000 0.000000 
1 1 1    4    0    1 o   54.917   1.2242  413.571   18.389  413.571   18.389  413.571   18.389   54.917   1.2242   54.917   1.2242 0.000000 0.000000 
1 1 1    4    0    2 o  133.389   1.4354  2437.29   52.418  2437.29   52.418  2437.29   52.418  133.389   1.4354  133.389   1.4354 0.000000 0.000000 
1 1 1    4    0    3 o   31.808   1.3930  139.340   12.080  139.340   12.080  139.340   12.080   31.808   1.3930   31.808   1.3930 0.000000 0.000000 
1 1 1    4    0    4 o   77.863   1.7387  831.506   37.030  831.506   37.030  831.506   37.030   77.863   1.7387   77.863   1.7387 0.000000 0.000000 
1 1 1    4    0    5 o  214.847   2.7671  6326.35  162.737  6326.35  162.737  6326.35  162.737  214.847   2.7671  214.847   2.7671 0.000000 0.000000 
1 1 1    4    0    6 o  269.535   3.9856  9962.32  294.024  9962.32  294.024  9962.32  294.024  269.535   3.9856  269.535   3.9856 0.000000 0.000000 
1 1 1    4    0    7 o  272.135   4.0276 10153.58  299.992 10153.58  299.992 10153.58  299.992  272.135   4.0276  272.135   4.0276 0.000000 0.000000 
1 1 1    4    0    8 o  396.358   5.0524 21539.38  548.175 21539.38  548.175 21539.38  548.175  396.358   5.0524  396.358   5.0524 0.000000 0.000000 
1 1 1    4    0    9 o  498.192   6.3382 34043.55  864.357 34043.55  864.357 34043.55  864.357  498.192   6.3382  498.192   6.3382 0.000000 0.000000 
1 1 1    4    0   10 o  352.451   4.4953 17028.58  433.695 17028.58  433.695 17028.58  433.695  352.451   4.4953  352.451   4.4953 0.000000 0.000000 
1 1 1    4    0   11 o  105.059   1.4942  1512.25   42.967  1512.25   42.967  1512.25   42.967  105.059   1.4942  105.059   1.4942 0.000000 0.000000 
1 1 1    4    0   12 o   23.124   2.2412   75.270   13.886   75.270   13.886   75.270   13.886   23.124   2.2412   23.124   2.2412 0.000000 0.000000 
1 1 1    4    0   13 o  169.725   2.2377  3947.29  103.961  3947.29  103.961  3947.29  103.961  169.725   2.2377  169.725   2.2377 0.000000 0.000000 
1 1 1    4    0   14 o   66.460   1.2712  605.496   23.116  605.496   23.116  605.496   23.116   66.460   1.2712   66.460   1.2712 0.000000 0.000000 
1 1 1    4    0   15 o   25.211   2.5550   89.753   17.223   89.753   17.223   89.753   17.223   25.211   2.5550   25.211   2.5550 0.000000 0.000000 
1 1 1    4    0   16 o   10.256   4.7982   21.156   15.058   21.156   15.058   21.156   15.058   10.256   4.7982   10.256   4.7982 0.000000 0.000000 
1 1 1    4    0   17 o   23.383   2.1683   76.876   13.609   76.876   13.609   76.876   13.609   23.383   2.1683   23.383   2.1683 0.000000 0.000000 
1 1 1    4    0   18 o   48.440   1.3148  322.168   17.412  322.168   17.412  322.168   17.412   48.440   1.3148   48.440   1.3148 0.000000 0.000000 
1 1 1    4    0   19 f   25.638   2.4482   92.638   16.827   92.638   16.827   92.638   16.827   25.638   2.4482   25.638   2.4482 0.000000 0.000000 
1 1 1    4    0   20 o   35.254   1.9328  171.996   18.531  171.996   18.531  171.996   18.531   35.254   1.9328   35.254   1.9328 0.000000 0.000000 
1 1 1    4    0   21 o  195.044   2.5816  5232.02  137.827  5232.02  137.827  5232.02  137.827  195.044   2.5816  195.044   2.5816 0.000000 0.000000 
1 1 1    4    0   22 o   9.2218   5.4935   13.081   24.376   13.081   24.376   13.081   24.376   9.2218   5.4935   9.2218   5.4935 0.000000 0.000000 
1 1 1    4    0   23 o   31.953   2.5894  143.312   22.315  143.312   22.315  143.312   22.315   31.953   2.5894   31.953   2.5894 0.000000 0.000000 
1 1 1    4    0   24 o   15.119   5.2605   41.632   19.677   41.632   19.677   41.632   19.677   15.119   5.2605   15.119   5.2605 0.000000 0.000000 
1 1 1    4    0   25 o   36.943   2.0925  189.837   21.013  189.837   21.013  189.837   21.013   36.943   2.0925   36.943   2.0925 0.000000 0.000000 
1 1 1    4    0   26 o   39.374   2.2741  216.844   24.332  216.844   24.332  216.844   24.332   39.374   2.2741   39.374   2.2741 0.000000 0.000000 
1 1 1    4    0   27 o   12.517   5.7478   34.366   21.565   34.366   21.565   34.366   21.565   12.517   5.7478   12.517   5.7478 0.000000 0.000000 
1 1 1    4    0   28 o   30.336   2.6766  133.683   21.836  133.683   21.836  133.683   21.836   30.336   2.6766   30.336   2.6766 0.000000 0.000000 
1 1 1    4    0   29 o   9.5646   5.1747   22.115   18.947   22.115   18.947   22.115   18.947   9.5646   5.1747   9.5646   5.1747 0.000000 0.000000 
1 1 1    4    1    0 o  268.655   3.9622  9897.86  291.343  9897.86  291.343  9897.86  291.343  268.655   3.9622  268.655   3.9622 0.000000 0.000000 
1 1 1    4    1    1 o  282.756   2.0824 10952.52  161.241 10926.35  227.553 10978.91  228.508  282.342   2.9432  283.020   2.9485 -0.6777649 4.166017 
1 1 1    4    1    2 o  176.446   1.6162  4264.15   78.090  4256.25  110.206  4272.11  110.667  176.253   2.2834  176.581   2.2887 -0.3277130 3.232939 
1 1 1    4    1    3 o   36.423   0.8212  181.653   8.1904  193.995   10.851  165.310   12.486   37.639   1.0528   34.743   1.3124 2.895458 1.682518 
1 1 1    4    1    4 f   66.215   0.8176  600.354   14.825  606.050   19.995  593.398   22.095   66.526   1.0976   65.826   1.2258 0.6994324 1.645355 
1 1 1    4    1    5 o  108.369   0.9345  1608.13   27.732  1624.24   39.566  1592.57   38.881  108.905   1.3267  107.838   1.3167 1.066612 1.869188 
1 1 1    4    1    6 o  274.846   2.8690 10352.06  215.928 10403.69  306.693 10301.30  304.060  275.407   4.0667  274.050   4.0517 1.356750 5.740580 
1 1 1    4    1    7 o  129.028   1.2990  2279.77   45.898  2269.55   69.857  2287.53   60.884  128.726   1.9818  129.241   1.7203 -0.5144196 2.624294 
1 1 1    4    1    8 o  213.822   1.9466  6261.46  113.976  6282.22  161.762  6241.00  160.617  214.147   2.7585  213.444   2.7480 0.7032318 3.893693 
1 1 1    4    1    9 o  259.233   2.3486  9204.44  166.719  9274.99  237.614  9136.03  233.981  260.177   3.3351  258.222   3.3090 1.954926 4.698153 
1 1 1    4    1   10 o  103.652   1.0343  1471.14   29.357  1466.25   41.403  1476.07   41.632  103.476   1.4612  103.822   1.4644 -0.3458633 2.068657 
1 1 1    4    1   11 o  146.926   1.3824  2956.13   55.620  2939.64   78.247  2972.97   79.078  146.505   1.9504  147.333   1.9600 -0.8278961 2.765119 
1 1 1    4    1   12 o   84.434   1.0850  976.201   25.086  1067.47   46.646  939.062   29.755   88.283   1.9295   82.810   1.3121 5.472679 2.333388 
1 1 1    4    1   13 o   49.253   0.9728  332.179   13.120  351.401   17.945  310.105   19.230   50.656   1.2936   47.585   1.4758 3.070778 1.962515 
1 1 1    4    1   14 o   79.864   0.9352  873.426   20.452  879.709   29.069  867.267   28.780   80.144   1.3245   79.576   1.3207 0.5687256 1.870482 
1 1 1    4    1   15 o  117.729   1.3511  1898.67   43.557  1901.90   61.479  1895.42   61.720  117.799   1.9059  117.597   1.9166 0.2013626 2.702945 
1 1 1    4    1   16 o  143.101   1.4585  2806.49   57.155  2791.03   86.818  2818.32   75.930  142.615   2.2231  143.350   1.9343 -0.7344666 2.946794 
1 1 1    4    1   17 o   93.141   1.0016  1188.53   25.545  1195.67   36.260  1181.50   35.995   93.392   1.4178   92.837   1.4159 0.5549011 2.003750 
1 1 1    4    1   18 o   87.621   1.0357  1051.93   24.850  1067.63   33.229  1032.00   37.432   88.248   1.3751   86.745   1.5758 1.502525 2.091419 
1 1 1    4    1   19 o   51.117   1.0141  358.048   14.196  355.708   18.603  361.311   21.965   50.934   1.3337   51.320   1.5630 -0.3860970 2.054702 
1 1 1    4    1   20 o  115.003   1.2520  1813.58   39.427  1802.12   59.655  1822.46   52.538  114.525   1.9022  115.217   1.6652 -0.6915359 2.528087 
1 1 1    4    1   21 o   60.323   0.9992  498.826   16.506  496.889   23.054  500.863   23.642   60.172   1.3991   60.409   1.4292 -0.2370567 2.000077 
1 1 1    4    1   22 o   50.208   1.3390  346.038   18.409  355.741   25.933  336.183   26.136   50.845   1.8626   49.419   1.9313 1.426754 2.683147 
1 1 1    4    1   23 o   26.938   1.9619  100.538   14.372   88.766   21.989  109.318   18.990   25.026   3.2883   27.996   2.5035 -2.970409 4.132802 
1 1 1    4    1   24 o   46.839   1.3299  301.516   17.058  275.095   25.328  323.446   23.075   44.620   2.0729   48.448   1.7393 -3.827827 2.705989 
1 1 1    4    1   25 f   38.657   1.4253  205.846   15.088  172.353   21.208  240.166   21.469   35.157   2.2143   41.663   1.8818 -6.505371 2.905850 
1 1 1    4    1   26 o   39.583   1.4847  216.711   16.093  233.910   24.930  204.424   21.072   40.806   2.2396   38.231   2.0199 2.574753 3.015969 
1 1 1    4    1   27 o   6.9200   3.1833  -8.1316   13.869  -5.4321   18.588 -11.5212   20.829   8.4214   3.8000   8.3706   3.8687 0.5082226E-01 5.422825 
1 1 1    4    1   28 o   12.396   3.6362   24.852   13.147   30.024   20.701   21.356   17.019   13.285   4.6323   11.654   4.1873 1.631074 6.244333 
1 1 1    4    1   29 o   15.064   2.9039   35.444   11.545   38.150   16.356   32.756   16.298   14.906   3.9454   13.727   4.0549 1.178169 5.657580 
1 1 1    4    2    0 o  136.391   1.6015  2548.50   59.795  2548.50   59.795  2548.50   59.795  136.391   1.6015  136.391   1.6015 0.000000 0.000000 
1 1 1    4    2    1 o  158.524   1.6908  3442.00   73.397  3540.36  106.731  3353.74  101.097  160.741   2.4248  156.450   2.3598 4.290771 3.383505 
1 1 1    4    2    2 f   97.399   1.2388  1299.16   33.040  1826.80   57.026  1032.54   40.537  115.484   1.8033   86.824   1.7050 28.66003 2.481696 
1 1 1    4    2    3 o  192.708   1.6633  5086.59   87.771  5040.85  116.638  5146.30  133.273  191.810   2.2206  193.788   2.5115 -1.977112 3.352421 
1 1 1    4    2    4 o  102.722   0.9925  1444.92   27.919  1528.07   41.718  1377.47   37.572  105.628   1.4423  100.290   1.3681 5.338623 1.987950 
1 1 1    4    2    5 o  113.064   1.0846  1750.54   33.580  1744.21   42.307  1761.31   55.208  112.855   1.3690  113.398   1.7779 -0.5431671 2.243886 
1 1 1    4    2    6 o  107.254   1.1941  1575.23   35.072  1601.03   50.252  1550.74   48.971  108.120   1.6973  106.409   1.6806 1.711159 2.388587 
1 1 1    4    2    7 o  131.662   1.2398  2373.74   44.701  2399.17   63.921  2349.40   62.536  132.357   1.7636  130.977   1.7436 1.379745 2.480007 
1 1 1    4    2    8 o  153.707   1.5249  3235.30   64.182  3239.14   98.185  3232.44   84.811  153.782   2.3316  153.630   2.0160 0.1520386 3.082286 
1 1 1    4    2    9 f  256.026   2.3218  8978.02  162.777  9037.02  231.679  8920.51  228.751  256.819   3.2944  255.159   3.2739 1.659714 4.644465 
1 1 1    4    2   10 o  193.076   1.7705  5105.22   93.605  5152.74  133.608  5059.42  131.182  193.949   2.5157  192.186   2.4927 1.763474 3.541462 
1 1 1    4    2   11 o  243.867   2.2168  8145.90  148.036  8229.73  211.489  8065.37  207.283  245.069   3.1514  242.612   3.1201 2.457565 4.434676 
1 1 1    4    2   12 o  155.895   1.6865  3328.41   71.995  3266.83  122.431  3360.96   89.011  154.406   2.8956  156.644   2.0751 -2.238586 3.562390 
1 1 1    4    2   13 f  154.954   1.4550  3288.33   61.737  3334.60   88.510  3244.50   86.158  156.020   2.0717  153.899   2.0444 2.121277 2.910573 
1 1 1    4    2   14 o   61.643   0.9546  520.349   16.113  537.750   21.866  499.672   23.836   62.661   1.2744   60.399   1.4412 2.261806 1.923778 
1 1 1    4    2   15 o  163.866   1.9392  3680.71   87.018  3694.12   97.681  3629.18  191.528  164.140   2.1732  162.352   4.3081 1.788605 4.825222 
1 1 1    4    2   16 o   83.390   0.9429  952.524   21.531  968.193   30.831  937.606   30.082   84.055   1.3395   82.718   1.3281 1.337807 1.886258 
1 1 1    4    2   17 o   74.405   0.9178  758.386   18.700  728.011   25.752  792.270   27.199   72.881   1.2903   76.029   1.3064 -3.147530 1.836214 
1 1 1    4    2   18 f   70.821   0.9108  687.115   17.662  686.268   24.853  687.979   25.106   70.757   1.2827   70.845   1.2941 -0.8745575E-01 1.822095 
1 1 1    4    2   19 o   82.779   1.0357  939.021   23.477  939.309   31.024  938.634   35.914   82.765   1.3689   82.714   1.5856 0.5112457E-01 2.094733 
1 1 1    4    2   20 o   44.868   1.1240  275.973   13.809  277.820   21.164  274.604   18.223   44.980   1.7183   44.735   1.4876 0.2448006 2.272737 
1 1 1    4    2   21 o   83.367   1.0760  952.930   24.564  942.850   32.313  966.729   37.809   82.881   1.4237   83.889   1.6459 -1.008011 2.176223 
1 1 1    4    2   22 o   45.639   1.3725  285.983   17.153  281.468   23.891  290.786   24.642   45.216   1.9295   45.955   1.9582 -0.7386246 2.749080 
1 1 1    4    2   23 o   52.946   1.1163  384.668   16.185  383.059   22.893  386.276   22.885   52.777   1.5841   52.999   1.5768 -0.2222290 2.235101 
1 1 1    4    2   24 o   43.147   1.3113  255.850   15.493  248.559   22.009  263.012   21.812   42.441   1.8937   43.670   1.8240 -1.228779 2.629318 
1 1 1    4    2   25 o   21.604   2.3350   65.694   13.594   50.412   18.980   81.790   19.479   18.451   3.8796   23.927   3.0418 -5.475737 4.929852 
1 1 1    4    2   26 o   30.371   1.9668  129.142   16.269  166.471   27.461  108.954   20.195   34.039   2.9760   27.610   2.7059 6.429337 4.022264 
1 1 1    4    2   27 o   22.084   2.2922   70.143   13.660   79.599   19.460   60.957   19.179   23.068   3.1639   19.862   3.6610 3.205967 4.838777 
1 1 1    4    2   28 o   18.867   2.7310   53.589   13.699   48.084   22.099   57.025   17.459   16.482   4.6787   18.962   3.4909 -2.480602 5.837486 
1 1 1    4    2   29 o   31.428   1.5593  139.764   13.419  157.014   20.502  126.835   17.750   32.623   2.3099   29.387   2.2221 3.236280 3.205268 
1 1 1    4    3    0 o  189.599   2.8309  4927.88  146.904  4927.88  146.904  4927.88  146.904  189.599   2.8309  189.599   2.8309 0.000000 0.000000 
1 1 1    4    3    1 o   86.547   1.0136  1025.71   24.022  1062.17   42.860  1009.01   29.005   88.059   1.7774   85.836   1.2340 2.222176 2.163804 
1 1 1    4    3    2 o  216.672   1.9836  6431.37  117.695  7182.96  165.672  5665.58  167.230  228.935   2.6427  203.292   3.0040 25.64240 4.000997 
1 1 1    4    3    3 o  189.905   1.5509  4939.37   80.650  4915.61  103.674  4975.78  128.349  189.427   1.9987  190.557   2.4597 -1.129303 3.169338 
1 1 1    4    3    4 o  164.464   1.4302  3704.37   64.413  3742.33   79.682  3632.77  109.422  165.294   1.7604  162.827   2.4541 2.467209 3.020177 
1 1 1    4    3    5 o  124.237   1.2524  2113.67   42.606  2135.70   56.741  2085.19   64.512  124.875   1.6593  123.384   1.9094 1.491547 2.529641 
1 1 1    4    3    6 o   36.510   0.8744  182.519   8.7416  167.937   15.237  189.673   10.673   35.018   1.5890   37.218   1.0472 -2.199650 1.903028 
1 1 1    4    3    7 o  281.565   2.4004 10859.18  185.074 10819.01  276.197 10891.91  249.328  280.972   3.5898  281.942   3.2294 -0.9699097 4.828608 
1 1 1    4    3    8 o   81.269   0.8676  904.333   19.307  937.983   28.078  874.153   26.591   82.765   1.2389   79.899   1.2154 2.865547 1.735504 
1 1 1    4    3    9 o  150.398   1.6214  3097.56   66.776  3239.17  120.857  3035.34   80.116  153.768   2.8702  148.873   1.9652 4.894592 3.478552 
1 1 1    4    3   10 o  363.502   3.2762 18106.42  326.117 18264.01  465.257 17954.22  457.245  364.927   4.6558  361.824   4.6149 3.102814 6.555454 
1 1 1    4    3   11 o  213.544   2.4709  6246.89  144.489  6256.17  186.744  6233.05  228.075  213.665   3.1917  213.224   3.9062 0.4415436 5.044321 
1 1 1    4    3   12 o  218.488   2.1358  6539.13  127.787  6550.17  195.587  6530.90  168.795  218.605   3.2673  218.313   2.8235 0.2915497 4.318281 
1 1 1    4    3   13 o  123.951   1.2096  2104.01   41.056  2109.97   58.209  2098.10   57.917  124.115   1.7127  123.765   1.7089 0.3494797 2.419435 
1 1 1    4    3   14 o  128.271   1.3309  2253.61   46.746  2266.81   62.146  2236.40   70.942  128.628   1.7644  127.748   2.0280 0.8794250 2.688063 
1 1 1    4    3   15 o  101.702   1.1266  1416.80   31.374  1412.95   41.290  1422.07   48.261  101.548   1.4849  101.861   1.7302 -0.3135223 2.279988 
1 1 1    4    3   16 o   32.664   1.1452  146.180   10.243  163.482   14.831  130.402   14.164   34.533   1.5684   30.793   1.6861 3.739939 2.302836 
1 1 1    4    3   17 f  131.364   1.3630  2365.47   49.029  2398.44   75.879  2341.83   64.241  132.171   2.0965  130.650   1.7956 1.521301 2.760352 
1 1 1    4    3   18 o  123.604   1.2176  2094.03   41.212  2107.76   58.614  2080.60   57.958  123.943   1.7270  123.143   1.7188 0.8000259 2.436504 
1 1 1    4    3   19 o   46.515   1.1314  296.564   14.411  279.607   19.562  316.687   21.310   45.143   1.5825   48.041   1.6199 -2.897766 2.264537 
1 1 1    4    3   20 o   44.398   1.1350  270.244   13.799  291.598   21.680  255.702   17.891   46.079   1.7181   43.164   1.5136 2.914665 2.289761 
1 1 1    4    3   21 o   34.730   1.3049  165.502   12.410  167.170   17.482  163.807   17.620   34.820   1.8400   34.463   1.8742 0.3575134 2.626412 
1 1 1    4    3   22 o   30.677   1.6805  129.788   14.063  126.052   18.764  134.577   21.241   30.137   2.2909   31.103   2.5155 -0.9661293 3.402353 
1 1 1    4    3   23 f   15.154   3.2451   33.213   13.060   39.055   18.701   27.652   18.247   16.328   4.1683   13.970   4.3257 2.358391 6.007177 
1 1 1    4    3   24 o   53.841   1.3307  398.509   19.619  378.009   33.279  409.428   24.288   52.222   2.3272   54.519   1.6269 -2.297455 2.839440 
1 1 1    4    3   25 o   50.938   1.2674  357.138   17.679  344.809   22.910  375.286   27.796   49.954   1.6748   52.030   1.9509 -2.076202 2.571215 
1 1 1    4    3   26 o   33.287   1.5813  153.663   14.414  153.250   20.458  154.070   20.311   32.945   2.2818   33.043   2.2582 -0.9846115E-01 3.210293 
1 1 1    4    3   27 o   22.778   2.1525   74.306   13.267   78.266   18.626   70.228   18.902   22.901   3.0457   21.519   3.3141 1.382706 4.501053 
1 1 1    4    3   28 o   28.131   1.7933  112.770   13.742  127.643   18.454   94.255   20.590   29.573   2.2969   24.769   3.1039 4.803848 3.861333 
1 1 1    4    4    0 o  173.391   2.2521  4119.82  106.892  4119.82  106.892  4119.82  106.892  173.391   2.2521  173.391   2.2521 0.000000 0.000000 
1 1 1    4    4    1 o  210.425   1.6298  6064.69   93.914  6134.78  140.884  6008.63  125.988  211.592   2.4315  209.420   2.1970 2.171646 3.277015 
1 1 1    4    4    2 o  169.311   1.3885  3925.89   64.375  3943.30   91.606  3908.91   90.483  169.665   1.9717  168.924   1.9561 0.7407532 2.777393 
1 1 1    4    4    3 f  234.772   1.9036  7549.90  122.378  7493.97  156.883  7636.81  195.586  233.868   2.4497  236.042   3.0259 -2.173920 3.893246 
1 1 1    4    4    4 o   40.020   0.7769  219.304   8.5143  233.057   10.698  195.535   14.063   41.255   0.9469   37.787   1.3591 3.468582 1.656454 
1 1 1    4    4    5 o  162.700   1.6026  3625.22   71.402  3628.61   94.346  3620.66  109.237  162.762   2.1168  162.573   2.4538 0.1896057 3.240654 
1 1 1    4    4    6 o  112.374   1.1600  1729.17   35.697  1778.19   55.521  1694.63   46.607  113.948   1.7794  111.242   1.5300 2.705902 2.346688 
1 1 1    4    4    7 o  356.225   3.2087 17386.24  313.003 17400.25  442.878 17372.27  442.428  356.246   4.5399  355.960   4.5389 0.2864380 6.419681 
1 1 1    4    4    8 o  212.579   1.9364  6188.84  112.721  6173.15  159.048  6204.66  159.778  212.284   2.7360  212.824   2.7416 -0.5408630 3.873291 
1 1 1    4    4    9 o  491.092   4.4168 33067.45  593.966 32776.30  960.669 33247.62  755.724  488.357   7.1837  492.215   5.6068 -3.858154 9.112737 
1 1 1    4    4   10 o  134.637   1.2772  2482.25   47.088  2454.28   65.887  2511.46   67.320  133.868   1.7974  135.418   1.8154 -1.550110 2.554664 
1 1 1    4    4   11 o  183.656   1.8103  4619.52   91.042  4621.65  120.536  4616.69  138.919  183.678   2.3965  183.564   2.7637 0.1141663 3.657975 
1 1 1    4    4   12 o   98.011   1.0931  1315.43   29.338  1325.84   45.277  1307.90   38.517   98.389   1.6805   97.726   1.4393 0.6636963 2.212642 
1 1 1    4    4   13 o   24.328   1.6076   81.425   10.649   87.031   16.031   76.996   14.247   25.090   2.3610   23.600   2.2311 1.490488 3.248442 
1 1 1    4    4   14 o   83.737   1.0886  960.333   24.961  976.894   35.790  944.647   34.831   84.443   1.5478   83.038   1.5318 1.404900 2.177617 
1 1 1    4    4   15 o  123.178   1.2886  2078.81   43.466  2077.64   57.391  2080.40   66.564  123.113   1.7023  123.171   1.9735 -0.5728912E-01 2.606299 
1 1 1    4    4   16 o   40.207   0.9906  221.463   10.907  229.724   15.569  213.501   15.284   40.939   1.3888   39.466   1.4143 1.472851 1.982122 
1 1 1    4    4   17 o   26.243   1.3529   94.654   9.6891   99.141   13.906   90.420   13.508   26.810   1.9065   25.594   1.9418 1.216328 2.721301 
1 1 1    4    4   18 o  106.905   1.0968  1566.18   32.109  1565.25   45.354  1567.10   45.463  106.826   1.5504  106.888   1.5533 -0.6284332E-01 2.194620 
1 1 1    4    4   19 o   92.490   1.0234  1172.33   25.921  1195.67   37.333  1150.61   36.017   93.362   1.4603   91.588   1.4361 1.773422 2.048111 
1 1 1    4    4   20 o   38.034   1.2555  198.399   13.076  220.797   20.625  183.348   16.908   40.081   1.8792   36.537   1.6899 3.543442 2.527267 
1 1 1    4    4   21 o   39.325   1.2420  212.163   13.375  203.004   19.270  220.676   18.578   38.421   1.8316   40.071   1.6931 -1.650215 2.494238 
1 1 1    4    4   22 o   43.671   1.2770  261.809   15.272  252.171   20.417  274.049   23.010   42.812   1.7416   44.613   1.8835 -1.800308 2.565275 
1 1 1    4    4   23 o   23.494   2.0908   76.781   13.311   74.398   18.747   79.204   18.903   22.917   3.0640   23.678   2.9815 -0.7603378 4.275164 
1 1 1    4    4   24 o   30.409   1.8482  128.119   15.317  159.161   23.445  105.002   20.232   33.735   2.5569   27.315   2.7419 6.420452 3.749083 
1 1 1    4    4   25 o   30.592   1.8297  130.125   15.258  128.498   19.521  132.679   24.459   30.242   2.3765   30.521   2.9639 -0.2793236 3.798950 
1 1 1    4    4   26 o   19.021   2.6635   52.387   13.493   35.796   18.704   70.388   19.483   15.148   4.3058   21.776   3.3766 -6.628173 5.471869 
1 1 1    4    4   27 o   20.495   2.3455   60.968   12.927   58.478   18.251   63.474   18.312   19.386   3.5696   20.315   3.4128 -0.9289360 4.938529 
1 1 1    4    4   28 o   16.456   2.8631   41.558   12.433   39.918   16.837   43.525   18.438   15.395   3.9686   15.937   4.1750 -0.5411081 5.760271 
1 1 1    4    5    0 o   31.376   1.0646  135.263   9.1232  135.263   9.1232  135.263   9.1232   31.376   1.0646   31.376   1.0646 0.000000 0.000000 
1 1 1    4    5    1 o  270.802   2.0856 10045.48  154.656 10124.47  231.188  9981.50  208.067  271.784   3.1064  269.884   2.8154 1.900085 4.192350 
1 1 1    4    5    2 o  154.326   2.3380  3262.77   98.803  3262.77   98.803   0.0000   0.0000  154.326   2.3380  ?   ?  0.000000 2.337987 
1 1 1    4    5    3 o  188.810   1.9925  4882.85  103.016  5167.31  154.277  4653.97  138.389  194.191   2.9012  184.301   2.7421 9.890259 3.992028 
1 1 1    4    5    4 o  409.492   3.6826 22984.94  412.946 23391.83  594.417 22605.39  574.101  412.858   5.2578  405.875   5.1654 6.983215 7.370595 
1 1 1    4    5    5 o   78.170   1.3414  836.750   28.714  836.750   28.714   0.0000   0.0000   78.170   1.3414  ?   ?  0.000000 1.341426 
1 1 1    4    5    6 o  313.947   2.8367 13502.23  243.871 13616.90  347.659 13391.15  342.177  315.192   4.0280  312.570   3.9977 2.621155 5.675085 
1 1 1    4    5    7 f  283.419   2.5625 11002.87  198.874 11123.33  284.340 10887.50  278.259  284.904   3.6446  281.870   3.6050 3.033630 5.126350 
1 1 1    4    5    8 o  201.175   1.7361  5542.41   95.638  5487.52  141.730  5588.30  129.589  200.150   2.5859  201.988   2.3429 -1.837952 3.489424 
1 1 1    4    5    9 o  167.958   1.5639  3863.17   71.929  3985.48  120.409  3795.30   89.692  170.568   2.5779  166.467   1.9676 4.101456 3.243002 
1 1 1    4    5   10 o  225.915   2.2042  6990.90  136.359  6976.85  253.864  6996.59  161.659  225.571   4.1099  225.988   2.6123 -0.4170227 4.869831 
1 1 1    4    5   11 o   74.879   0.9426  767.747   19.328  787.291   25.992  743.572   28.908   75.823   1.2518   73.686   1.4327 2.137138 1.902530 
1 1 1    4    5   12 o   25.449   1.5315   89.021   10.623  104.000   16.703   78.846   13.766   27.460   2.2408   23.896   2.1260 3.564491 3.088848 
1 1 1    4    5   13 o  131.668   1.2681  2374.40   45.722  2378.83   64.755  2370.00   64.567  131.770   1.7946  131.525   1.7927 0.2447815 2.536621 
1 1 1    4    5   14 o  141.629   1.4416  2748.16   55.909  2804.13   86.871  2708.59   73.049  143.002   2.2184  140.573   1.8977 2.428940 2.919333 
1 1 1    4    5   15 o  128.123   1.4334  2249.74   50.291  2272.17   62.072  2206.89   85.800  128.728   1.7609  126.776   2.4715 1.951897 3.034633 
1 1 1    4    5   16 o   40.166   0.9681  221.017   10.648  217.734   15.002  224.350   15.117   39.855   1.3746   40.456   1.3646 -0.6012383 1.936880 
1 1 1    4    5   17 o   47.372   0.9752  307.450   12.650  319.918   19.857  298.933   16.412   48.301   1.5013   46.700   1.2834 1.601521 1.975079 
1 1 1    4    5   18 o   15.859   2.5640   35.485   10.755   43.777   17.590   30.534   13.592   17.453   3.7891   14.577   3.4575 2.876454 5.129471 
1 1 1    4    5   19 o   84.900   0.9841  987.798   22.878  1023.06   33.170  955.809   31.595   86.361   1.4026   83.477   1.3822 2.884315 1.969215 
1 1 1    4    5   20 o   44.863   1.1316  275.974   13.902  294.272   21.891  263.607   17.997   46.281   1.7274   43.821   1.4997 2.459248 2.287572 
1 1 1    4    5   21 o   14.247   3.4855   29.368   13.487   25.203   19.466   33.213   18.703   13.642   4.4944   15.178   4.3027 -1.535588 6.221965 
1 1 1    4    5   22 o   31.999   1.7114  141.276   14.942  160.966   18.532  104.702   25.258   34.118   1.9922   27.176   3.4736 6.942650 4.004364 
1 1 1    4    5   23 o   61.660   1.1427  521.912   19.295  528.147   25.137  512.969   30.104   61.972   1.4812   61.011   1.8019 0.9609146 2.332541 
1 1 1    4    5   24 o   36.362   1.4533  182.055   14.470  172.856   20.118  191.915   20.829   35.266   2.0926   37.175   2.0541 -1.909370 2.932257 
1 1 1    4    5   25 o   7.8384   3.4709  -3.6402   14.748   19.611   19.940 -31.7236   21.914   12.365   4.5193   7.4112   3.5788 4.953523 5.764679 
1 1 1    4    5   26 o   10.684   3.6598   16.138   12.895   16.698   17.997   15.547   18.486   11.378   4.2686   11.248   4.3017 0.1299219 6.060155 
1 1 1    4    5   27 o   13.626   3.5463   29.511   13.360   23.840   20.451   33.733   17.645   12.407   4.5705   14.267   4.2205 -1.860359 6.221085 
1 1 1    4    5   28 o   14.395   3.0480   32.596   11.641   29.729   16.593   35.374   16.335   13.152   4.1337   14.395   4.0003 -1.242937 5.752359 
1 1 1    4    6    0 o  209.473   2.4102  6011.65  138.209  6011.65  138.209  6011.65  138.209  209.473   2.4102  209.473   2.4102 0.000000 0.000000 
1 1 1    4    6    1 o  123.467   1.5663  2087.61   52.956  3520.02  107.322  1626.61   60.884  160.301   2.4449  108.978   2.0402 51.32301 3.184350 
1 1 1    4    6    2 o  424.887   4.4195 24755.64  514.207 25577.49  751.080 24030.59  705.461  431.527   6.3561  418.315   6.1586 13.21204 8.850276 
1 1 1    4    6    3 o   74.805   1.0913  766.223   22.354  716.420   30.666  822.693   32.654   72.330   1.5483   77.509   1.5385 -5.179344 2.182706 
1 1 1    4    6    4 o   82.955   1.1084  942.283   25.179  1055.60   42.723  881.974   31.167   87.796   1.7770   80.254   1.4182 7.541534 2.273563 
1 1 1    4    6    5 o  489.697   4.1541 32870.09  557.053 32757.71  832.203 32961.33  749.809  488.519   6.2210  490.154   5.5864 -1.635101 8.361095 
1 1 1    4    6    6 o  366.292   3.3048 18383.45  331.487 18569.20  474.068 18205.74  463.691  368.002   4.7044  364.389   4.6470 3.612976 6.612548 
1 1 1    4    6    7 o  159.709   1.5809  3492.98   69.137  3622.19  109.379  3407.00   89.222  162.616   2.4563  157.722   2.0658 4.894531 3.209508 
1 1 1    4    6    8 o  197.591   1.7079  5346.77   92.409  5276.95  136.552  5405.75  125.517  196.270   2.5407  198.659   2.3073 -2.389481 3.432024 
1 1 1    4    6    9 o  371.759   3.3518 18940.79  341.212 19182.36  564.019 18801.33  428.523  373.819   5.5099  370.284   4.2262 3.535187 6.944025 
1 1 1    4    6   10 o  142.280   1.3576  2772.20   52.894  2833.18   87.398  2736.95   66.445  143.815   2.2193  141.365   1.7164 2.450333 2.805578 
1 1 1    4    6   11 o  114.083   1.1480  1782.24   35.863  1751.81   48.878  1817.73   52.783  113.097   1.5782  115.204   1.6732 -2.106209 2.300064 
1 1 1    4    6   12 o  135.010   1.3801  2496.47   51.023  2515.96   78.619  2482.29   67.065  135.506   2.1187  134.610   1.8194 0.8966370 2.792723 
1 1 1    4    6   13 o   99.409   1.1838  1353.53   32.226  1371.75   46.349  1336.48   44.837  100.057   1.6916   98.764   1.6579 1.293152 2.368556 
1 1 1    4    6   14 o   81.038   0.9823  899.509   21.799  918.631   33.686  885.731   28.593   81.874   1.5025   80.404   1.2987 1.470436 1.985945 
1 1 1    4    6   15 o  159.750   1.7327  3499.98   75.796  3544.36   93.890  3416.94  128.434  160.690   2.1337  157.587   2.9763 3.103180 3.662097 
1 1 1    4    6   16 o   85.396   0.9505  999.051   22.228  1005.75   31.463  992.372   31.406   85.658   1.3414   85.086   1.3479 0.5722198 1.901634 
1 1 1    4    6   17 o   68.747   0.8878  647.467   16.713  658.008   23.709  637.053   23.564   69.286   1.2496   68.173   1.2623 1.112953 1.776203 
1 1 1    4    6   18 o   75.117   1.3196  773.694   27.143  783.689   37.553  762.761   39.276   75.551   1.8151   74.523   1.9246 1.028427 2.645568 
1 1 1    4    6   19 f   56.873   1.0090  443.333   15.713  451.522   20.548  431.801   24.385   57.376   1.3078   56.086   1.5878 1.290207 2.057051 
1 1 1    4    6   20 o   43.356   1.1830  257.816   14.045  290.018   22.220  236.388   18.126   45.935   1.7665   41.486   1.5955 4.449429 2.380394 
1 1 1    4    6   21 o   60.031   1.0875  494.280   17.877  503.693   27.405  487.308   23.587   60.530   1.6534   59.566   1.4460 0.9642487 2.196508 
1 1 1    4    6   22 o   48.752   1.1281  326.145   15.060  331.368   21.119  320.742   21.481   49.089   1.5711   48.288   1.6245 0.8007469 2.259924 
1 1 1    4    6   23 o   40.827   1.4060  229.203   15.719  227.087   20.438  232.268   24.594   40.577   1.8394   40.915   2.2032 -0.3382149 2.870087 
1 1 1    4    6   24 o   50.053   1.1722  344.425   16.067  346.694   22.462  342.047   22.992   50.120   1.6366   49.771   1.6870 0.3493958 2.350378 
1 1 1    4    6   25 o   20.405   2.5719   59.552   14.051   53.590   20.880   64.487   18.996   18.735   4.1765   20.918   3.4356 -2.182978 5.408012 
1 1 1    4    6   26 o   35.011   1.4446  170.370   13.850  182.326   19.352  157.817   19.830   35.938   1.9740   33.315   2.1858 2.623497 2.945217 
1 1 1    4    6   27 o   12.677   3.8221   26.160   14.369   12.524   20.327   39.782   20.316   10.591   4.3564   15.159   4.5389 -4.567481 6.291287 
1 1 1    4    6   28 o   5.3199   2.5752 -15.9605   11.522 -16.7558   16.201 -15.1466   16.390   6.5790   3.1509   6.7473   3.2144 -0.1683412 4.501201 
1 1 1    4    7    0 o  307.481   4.5474 12962.31  382.696 12962.31  382.696 12962.31  382.696  307.481   4.5474  307.481   4.5474 0.000000 0.000000 
1 1 1    4    7    1 o  366.509   3.1117 18403.91  312.297 18571.54  422.480 18201.97  463.701  368.077   4.1916  364.347   4.6476 3.729889 6.258586 
1 1 1    4    7    2 f  149.767   1.4826  3071.53   60.805  3142.12   95.030  3022.59   79.122  151.463   2.2912  148.561   1.9449 2.901672 3.005380 
1 1 1    4    7    3 o  163.247   1.7402  3649.51   77.791  3449.52  103.650  3907.45  117.713  158.697   2.3851  168.898   2.5451 -10.20119 3.488050 
1 1 1    4    7    4 o  249.043   2.6106  8495.80  178.034  8805.50  261.413  8227.90  243.135  253.481   3.7661  245.035   3.6235 8.446014 5.226223 
1 1 1    4    7    5 o  186.872   1.5341  4782.12   78.506  4816.28  111.976  4749.08  110.096  187.523   2.1806  186.211   2.1591 1.312195 3.068691 
1 1 1    4    7    6 o  128.984   1.1661  2278.10   41.188  2306.51   62.897  2256.78   54.499  129.777   1.7699  128.374   1.5503 1.403351 2.352854 
1 1 1    4    7    7 o  129.742   1.3208  2305.04   46.925  2306.02   71.016  2304.29   62.517  129.758   1.9986  129.714   1.7600 0.4418945E-01 2.663114 
1 1 1    4    7    8 f   88.405   1.0670  1070.19   25.831  1103.27   46.204  1055.14   31.155   89.752   1.8799   87.780   1.2961 1.972343 2.283450 
1 1 1    4    7    9 o  182.228   1.9382  4548.24   96.717  4796.98  176.153  4440.90  115.720  187.073   3.4387  180.050   2.3471 7.023407 4.163311 
1 1 1    4    7   10 o  232.266   2.0039  7389.65  127.450  7648.94  197.029  7203.09  167.124  236.236   3.0457  229.276   2.6619 6.960281 4.045029 
1 1 1    4    7   11 o  289.878   2.8112 11519.14  223.149 11455.17  338.361 11568.38  296.857  288.840   4.2779  290.362   3.7335 -1.521393 5.678001 
1 1 1    4    7   12 o   87.623   1.0153  1051.46   24.360  1085.46   38.348  1028.47   31.542   89.013   1.5733   86.652   1.3293 2.361214 2.059650 
1 1 1    4    7   13 o   33.854   1.0497  156.980   9.7307  171.559   13.686  142.074   13.838   35.386   1.4124   32.199   1.5695 3.186626 2.111397 
1 1 1    4    7   14 o   23.232   1.5289   74.304   9.6722   74.093   14.364   74.479   13.083   23.119   2.2994   23.206   2.0809 -0.8657646E-01 3.101201 
1 1 1    4    7   15 o   60.543   0.9256  502.137   15.346  502.497   20.045  501.626   23.852   60.554   1.2088   60.490   1.4400 0.6386185E-01 1.880109 
1 1 1    4    7   16 o   83.318   0.9400  951.044   21.448  976.171   30.728  927.174   29.950   84.387   1.3298   82.242   1.3299 2.145111 1.880651 
1 1 1    4    7   17 o   71.810   0.9526  706.548   18.732  741.263   28.894  681.382   24.602   73.520   1.4352   70.500   1.2744 3.020149 1.919332 
1 1 1    4    7   18 o   34.614   1.2496  164.283   11.844  159.546   15.348  171.257   18.623   34.093   1.6440   35.253   1.9366 -1.159298 2.540284 
1 1 1    4    7   19 o   25.128   1.5773   87.033   10.798   80.477   15.197   93.717   15.346   24.059   2.3362   26.004   2.1751 -1.944796 3.192015 
1 1 1    4    7   20 o   23.254   2.0876   75.064   13.152   86.168   19.721   66.170   17.649   24.770   2.9665   21.642   3.0638 3.128407 4.264616 
1 1 1    4    7   21 o   64.966   1.0130  578.831   18.021  589.851   25.756  568.262   25.223   65.527   1.4354   64.317   1.4321 1.209854 2.027624 
1 1 1    4    7   22 o   33.218   1.4693  151.701   13.366  165.567   19.140  138.505   18.672   34.581   2.0301   31.592   2.1716 2.989235 2.972749 
1 1 1    4    7   23 o   11.014   3.9683   14.821   15.295   13.276   18.656   17.989   26.714   11.301   4.3214   13.258   5.1443 -1.957267 6.718524 
1 1 1    4    7   24 o   13.749   3.6278   28.046   13.857   25.548   20.502   30.146   18.801   13.512   4.6147   14.281   4.3857 -0.7690105 6.366347 
1 1 1    4    7   25 o   15.385   3.4097   35.622   13.987   50.108   21.022   24.114   18.737   17.921   4.3318   12.874   4.4115 5.046645 6.182685 
1 1 1    4    7   26 o   14.354   3.2571   31.749   12.509   26.273   17.410   37.593   17.986   12.888   4.2507   15.205   4.1868 -2.317411 5.966386 
1 1 1    4    7   27 o   8.3322   3.4086   6.3845   12.360  -3.5830   18.919   13.806   16.325   8.4131   3.8116   10.210   4.0047 -1.796730 5.528615 
1 1 1    4    7   28 o   29.794   1.5368  125.821   12.496  115.539   17.724  135.981   17.619   27.933   2.3387   30.515   2.1217 -2.582870 3.157721 
1 1 1    4    8    0 o  261.623   3.3623  9379.72  240.794  9379.72  240.794  9379.72  240.794  261.623   3.3623  261.623   3.3623 0.000000 0.000000 
1 1 1    4    8    1 o  380.706   3.6739 19862.38  383.004 19277.18  491.385 20768.22  611.359  374.938   4.7860  389.037   5.7387 -14.09964 7.472541 
1 1 1    4    8    2 o   94.072   1.0008  1211.74   25.782  1196.46   47.670  1218.05   30.652   93.469   1.8625   94.315   1.1868 -0.8462372 2.208457 
1 1 1    4    8    3 f  143.974   1.9478  2838.84   76.792  2490.22   95.963  3459.61  128.052  134.830   2.5991  158.910   2.9427 -24.08046 3.926194 
1 1 1    4    8    4 o  154.572   1.3493  3271.75   57.111  3282.20   99.350  3266.59   69.796  154.798   2.3438  154.445   1.6503 0.3527985 2.866494 
1 1 1    4    8    5 o  194.122   1.9060  5160.94  101.320  5424.71  141.097  4880.14  145.584  198.997   2.5893  188.735   2.8169 10.26147 3.826154 
1 1 1    4    8    6 o  369.458   3.1385 18704.01  317.521 18888.06  481.103 18561.97  422.642  371.085   4.7345  367.939   4.1948 3.145935 6.325480 
1 1 1    4    8    7 o   66.441   1.0424  604.463   18.965  632.666   25.069  566.722   29.000   67.971   1.3469   64.329   1.6463 3.642395 2.127030 
1 1 1    4    8    8 f  106.728   1.1479  1559.83   33.548  1564.42   50.038  1556.08   45.215  106.877   1.7097  106.594   1.5490 0.2825699 2.307092 
1 1 1    4    8    9 o  342.586   2.9157 16084.82  273.532 16106.08  410.549 16067.85  366.802  342.607   4.3760  342.274   3.9135 0.3329468 5.870708 
1 1 1    4    8   10 o   82.149   0.8831  924.101   19.866  916.159   28.464  931.643   27.740   81.790   1.2709   82.479   1.2282 -0.6889343 1.767387 
1 1 1    4    8   11 o  167.695   1.7991  3853.14   82.615  3833.02  116.199  3873.70  117.480  167.197   2.5380  168.081   2.5524 -0.8835449 3.599475 
1 1 1    4    8   12 o  114.346   1.2968  1791.16   40.606  1804.96   58.252  1778.11   56.633  114.753   1.8538  113.899   1.8158 0.8542633 2.594889 
1 1 1    4    8   13 o   72.091   0.8975  711.849   17.718  706.990   27.377  715.350   23.241   71.826   1.3919   72.259   1.1746 -0.4327698 1.821272 
1 1 1    4    8   14 o   93.086   0.9824  1187.08   25.043  1195.23   35.579  1179.08   35.255   93.378   1.3914   92.746   1.3881 0.6326675 1.965446 
1 1 1    4    8   15 o   40.192   1.0181  221.325   11.205  222.549   14.541  219.535   17.580   40.294   1.3179   40.009   1.6046 0.2846451 2.076439 
1 1 1    4    8   16 o  114.445   1.2217  1795.28   38.288  1785.30   50.345  1808.98   58.966  114.080   1.6116  114.795   1.8758 -0.7148743 2.473047 
1 1 1    4    8   17 f   83.656   1.0175  959.051   23.308  918.005   34.060  995.206   31.966   81.801   1.5205   85.187   1.3703 -3.386070 2.046892 
1 1 1    4    8   18 f   73.884   1.0048  748.191   20.330  772.111   27.217  718.001   30.577   75.027   1.3248   72.326   1.5439 2.700264 2.034329 
1 1 1    4    8   19 o   50.352   1.0675  347.624   14.719  344.525   22.280  350.024   19.607   50.081   1.6246   50.499   1.4179 -0.4176674 2.156328 
1 1 1    4    8   20 o   67.632   1.1405  627.484   21.123  663.682   31.549  598.078   28.436   69.482   1.6582   65.971   1.5741 3.510239 2.286324 
1 1 1    4    8   21 o   55.863   1.0565  428.101   16.162  430.389   22.899  425.831   22.813   55.957   1.4944   55.660   1.4968 0.2974396 2.115074 
1 1 1    4    8   22 o   48.112   1.1725  317.849   15.448  326.980   21.795  308.632   21.898   48.733   1.6332   47.337   1.6893 1.396179 2.349729 
1 1 1    4    8   23 o   25.439   2.2493   90.539   15.507  103.397   18.780   62.981   27.494   27.118   2.5593   20.370   4.9725 6.747957 5.592427 
1 1 1    4    8   24 o   31.813   1.6984  140.633   14.742  146.633   19.173  131.954   23.059   32.337   2.1779   30.433   2.7983 1.903540 3.545933 
1 1 1    4    8   25 o   47.593   1.1777  312.943   15.349  290.826   21.099  337.808   22.371   45.666   1.6872   49.231   1.6594 -3.565269 2.366505 
1 1 1    4    8   26 o   17.336   2.8266   45.218   12.956   50.057   17.402   39.200   19.407   17.727   3.7042   15.246   4.4026 2.481505 5.753578 
1 1 1    4    8   27 o   15.454   2.9886   37.258   12.190   42.595   18.781   33.374   16.023   15.614   4.2698   13.990   3.9882 1.623678 5.842655 
1 1 1    4    9    0 o   30.690   1.6852  130.139   14.065  130.139   14.065  130.139   14.065   30.690   1.6852   30.690   1.6852 0.000000 0.000000 
1 1 1    4    9    1 o  359.627   2.8962 17719.25  285.214 17697.85  402.804 17740.77  403.906  359.293   4.0941  359.728   4.1003 -0.4346924 5.794300 
1 1 1    4    9    2 o   83.792   1.0695  961.395   24.540  984.756   40.594  947.941   30.807   84.797   1.7482   83.201   1.3522 1.596199 2.210077 
1 1 1    4    9    3 o  207.260   1.6912  5882.86   95.982  6197.96  160.354  5706.93  119.816  212.699   2.7531  204.123   2.1436 8.575256 3.489201 
1 1 1    4    9    4 o  376.226   2.8894 19393.67  297.677 19615.56  447.128 19217.03  398.938  378.209   4.3173  374.402   3.8911 3.807098 5.812053 
1 1 1    4    9    5 o  282.799   2.4219 10955.68  187.553 11887.88  305.682 10392.90  237.513  294.476   3.7908  275.391   3.1495 19.08447 4.928475 
1 1 1    4    9    6 o  177.264   1.6418  4303.40   79.694  4281.63  100.805  4339.69  130.141  176.801   2.0821  177.972   2.6704 -1.171066 3.386161 
1 1 1    4    9    7 o  183.769   1.7002  4625.29   85.557  4628.25  108.803  4620.51  138.488  183.810   2.1616  183.627   2.7541 0.1826782 3.501134 
1 1 1    4    9    8 o  153.057   1.5302  3208.42   64.132  3232.20   85.412  3177.70   97.102  153.605   2.0306  152.292   2.3284 1.313049 3.089475 
1 1 1    4    9    9 o  121.709   1.1921  2028.66   39.729  1977.64   62.557  2063.15   51.434  120.147   1.9014  122.730   1.5304 -2.583153 2.440794 
1 1 1    4    9   10 o   63.612   0.9537  554.151   16.612  562.954   24.256  546.374   22.798   64.108   1.3817   63.158   1.3182 0.9498253 1.909632 
1 1 1    4    9   11 o  120.333   1.2663  1983.61   41.727  1967.01   54.016  2008.18   65.707  119.807   1.6465  121.030   1.9826 -1.223106 2.577112 
1 1 1    4    9   12 f  200.643   1.9722  5521.78  108.357  5461.02  163.848  5569.02  144.458  199.303   3.0022  201.362   2.6198 -2.059708 3.984560 
1 1 1    4    9   13 o  104.443   1.1268  1494.65   32.226  1526.63   49.983  1471.90   42.157  105.501   1.7301  103.617   1.4858 1.884392 2.280542 
1 1 1    4    9   14 o  104.328   1.0218  1491.25   29.191  1500.67   42.848  1483.09   39.876  104.617   1.4957  104.011   1.4001 0.6053314 2.048710 
1 1 1    4    9   15 f   80.220   0.9603  881.684   21.095  889.441   28.486  872.264   31.391   80.551   1.2915   79.758   1.4373 0.7929382 1.932248 
1 1 1    4    9   16 o   73.517   0.9616  740.566   19.358  748.465   29.210  734.380   25.850   73.873   1.4440   73.187   1.2898 0.6857834 1.936162 
1 1 1    4    9   17 o   45.187   0.9813  279.826   12.142  298.998   17.160  260.601   17.184   46.690   1.3422   43.583   1.4398 3.106709 1.968377 
1 1 1    4    9   18 o   45.791   1.0153  287.432   12.731  299.842   18.299  275.789   17.724   46.741   1.4297   44.826   1.4439 1.915009 2.031939 
1 1 1    4    9   19 f   41.637   1.3776  237.986   15.707  243.853   25.790  234.527   19.802   41.997   2.2508   41.300   1.7510 0.6966782 2.851651 
1 1 1    4    9   20 o   57.415   1.1954  452.402   18.795  537.074   35.947  420.547   22.049   62.406   2.1036   55.326   1.4554 7.079800 2.557934 
1 1 1    4    9   21 o   25.703   1.7947   91.445   12.553   82.816   17.677  100.222   17.828   24.280   2.7046   26.792   2.4575 -2.511391 3.654305 
1 1 1    4    9   22 o   29.646   1.6926  121.557   13.684  104.324   18.992  140.162   19.733   27.270   2.5738   31.715   2.2875 -4.445467 3.443406 
1 1 1    4    9   23 o   39.194   1.5080  211.983   16.185  214.349   22.215  209.306   23.629   39.222   2.0757   38.702   2.2391 0.5202026 3.053258 
1 1 1    4    9   24 o   17.766   2.9001   46.109   13.622   45.717   17.492   46.714   21.715   17.344   3.7889   17.251   4.5364 0.9261703E-01 5.910549 
1 1 1    4    9   25 o   30.754   1.5645  132.360   13.132  156.284   18.618  108.676   18.524   33.168   2.0601   27.400   2.4963 5.767471 3.236543 
1 1 1    4    9   26 o   13.318   3.6499   28.884   13.706   40.606   24.846   23.756   16.433   14.925   5.0802   12.082   4.1315 2.842306 6.548101 
1 1 1    4    9   27 o   8.0467   3.3431   5.5271   12.135   19.799   18.669  -4.9170   15.970   11.206   4.3138   7.5399   3.4490 3.666141 5.523098 
1 1 1    4   10    0 o   49.681   2.1772  339.959   29.491  339.959   29.491  339.959   29.491   49.681   2.1772   49.681   2.1772 0.000000 0.000000 
1 1 1    4   10    1 o  113.162   1.1089  1753.52   34.362  1748.12   56.554  1756.68   43.263  112.978   1.8280  113.261   1.3949 -0.2831421 2.299453 
1 1 1    4   10    2 o  270.388   2.8285 10017.17  209.425  9806.82  290.343 10245.31  302.368  267.441   3.9645  273.347   4.0395 -5.906311 5.659983 
1 1 1    4   10    3 o  230.178   2.2334  7257.60  140.774  7216.43  261.982  7274.31  166.920  229.390   4.1707  230.421   2.6454 -1.031189 4.938915 
1 1 1    4   10    4 o  353.191   2.8483 17094.01  275.477 17048.16  434.735 17124.77  356.095  352.495   4.5038  353.409   3.6796 -0.9143066 5.815818 
1 1 1    4   10    5 o  103.170   1.4223  1457.67   40.181  1046.48   51.426  2102.15   64.382   87.403   2.1487  123.884   1.8978 -36.48161 2.866812 
1 1 1    4   10    6 o   47.814   0.7585  313.036   9.9313  313.404   14.245  312.688   13.854   47.840   1.0873   47.785   1.0587 0.5447006E-01 1.517629 
1 1 1    4   10    7 o  161.449   1.4312  3570.00   63.273  3512.11   94.125  3617.72   85.463  160.103   2.1469  162.504   1.9205 -2.400986 2.880587 
1 1 1    4   10    8 o   92.701   0.9169  1176.79   23.277  1155.19   33.568  1196.81   32.304   91.837   1.3348   93.479   1.2620 -1.641533 1.836936 
1 1 1    4   10    9 o  102.277   1.0435  1432.66   29.225  1386.33   39.153  1490.95   43.918  100.597   1.4213  104.319   1.5374 -3.722015 2.093738 
1 1 1    4   10   10 o   81.141   0.9477  901.745   21.057  900.813   27.710  903.019   32.395   81.090   1.2479   81.181   1.4573 -0.9092712E-01 1.918559 
1 1 1    4   10   11 o   20.151   1.6806   56.057   9.1892   63.574   14.532   51.049   11.862   21.367   2.5330   19.147   2.3089 2.219833 3.427394 
1 1 1    4   10   12 o   37.431   0.9725  191.941   9.9683  210.854   15.822  179.494   12.836   39.218   1.4733   36.189   1.2953 3.028458 1.961749 
1 1 1    4   10   13 o  105.741   1.0892  1532.06   31.540  1507.35   49.183  1549.31   41.104  104.826   1.7134  106.307   1.4120 -1.480888 2.220228 
1 1 1    4   10   14 o   77.801   0.8811  829.220   18.771  860.886   27.616  802.028   25.591   79.249   1.2725   76.496   1.2217 2.753616 1.764052 
1 1 1    4   10   15 o   40.019   1.0374  219.469   11.368  206.590   14.610  239.230   18.098   38.815   1.3746   41.758   1.5827 -2.943531 2.096279 
1 1 1    4   10   16 o   53.365   1.0138  390.301   14.816  393.092   20.622  387.324   21.298   53.532   1.4068   53.133   1.4638 0.3982964 2.030262 
1 1 1    4   10   17 o   14.011   3.0773   28.207   11.484   36.190   13.844   10.599   20.561   15.875   3.2926   11.380   4.4846 4.494841 5.563550 
1 1 1    4   10   18 f   83.888   0.9933  964.765   22.818  983.427   32.546  946.725   31.999   84.640   1.4042   83.045   1.4071 1.594902 1.987930 
1 1 1    4   10   19 o   19.795   2.2371   54.741   11.913   54.380   16.104   55.176   17.705   19.551   3.1123   19.627   3.4185 -0.7579613E-01 4.623036 
1 1 1    4   10   20 o   67.052   1.1685  617.082   21.455  656.730   39.065  599.956   25.674   68.994   2.0677   66.077   1.4189 2.916771 2.507743 
1 1 1    4   10   21 o   36.528   1.3656  183.440   13.659  183.547   19.234  183.330   19.402   36.414   1.9359   36.389   1.9542 0.2534103E-01 2.750739 
1 1 1    4   10   22 o   21.624   2.1816   65.544   12.741   68.663   18.009   62.419   18.028   21.892   3.0901   20.799   3.2736 1.093376 4.501646 
1 1 1    4   10   23 o   28.374   1.9177  112.470   14.813  102.954   20.283  123.348   21.685   26.840   2.8010   29.434   2.7212 -2.594517 3.905212 
1 1 1    4   10   24 o   9.0443   3.5540   8.3089   12.878  -1.6903   16.937   22.016   19.829   8.4952   3.7427   12.435   4.5126 -3.940063 5.862698 
1 1 1    4   10   25 o   20.414   2.3551   60.794   12.923   64.259   19.943   58.285   16.968   20.109   3.7599   19.433   3.3072 0.6761570 5.007433 
1 1 1    4   10   26 o   21.002   2.4318   65.525   13.727   62.684   25.291   66.711   16.343   18.411   4.9218   20.829   2.9477 -2.418221 5.736962 
1 1 1    4   11    0 o  166.186   1.9532  3783.72   88.856  3783.72   88.856  3783.72   88.856  166.186   1.9532  166.186   1.9532 0.000000 0.000000 
1 1 1    4   11    1 o  102.106   1.4277  1427.78   39.918  1492.71   58.782  1372.22   54.380  104.389   2.0564  100.089   1.9841 4.299973 2.857525 
1 1 1    4   11    2 o  231.234   2.1098  7324.76  133.590  7240.72  216.134  7376.71  169.938  229.803   3.4346  232.015   2.6748 -2.212265 4.353271 
1 1 1    4   11    3 o   47.461   0.9256  308.454   12.030  297.324   24.952  311.825   13.732   46.588   1.9559   47.719   1.0508 -1.131004 2.220308 
1 1 1    4   11    4 o  107.542   1.0137  1583.72   29.854  1540.97   53.039  1603.55   36.118  106.063   1.8262  108.209   1.2189 -2.146614 2.195610 
1 1 1    4   11    5 o   85.892   0.8269  1010.21   19.449  1075.26   33.905  978.312   23.743   88.604   1.3974   84.522   1.0258 4.082359 1.733525 
1 1 1    4   11    6 o   53.861   0.7654  397.244   11.289  346.637   16.239  444.581   15.705   50.309   1.1787   56.977   1.0066 -6.668171 1.550060 
1 1 1    4   11    7 o   34.537   1.0480  163.365   9.9111  164.545   14.788  162.402   13.354   34.656   1.5582   34.431   1.4164 0.2244644 2.105769 
1 1 1    4   11    8 o   53.045   0.8295  385.335   12.048  400.751   19.495  375.807   15.326   54.086   1.3163   52.381   1.0685 1.705276 1.695330 
1 1 1    4   11    9 o  115.207   1.0673  1818.13   33.670  1782.36   48.787  1850.65   46.527  114.037   1.5623  116.209   1.4621 -2.171455 2.139758 
1 1 1    4   11   10 o   26.965   1.5033   99.981   11.056  105.011   14.262   92.406   17.503   27.603   1.8984   25.816   2.5075 1.787374 3.145097 
1 1 1    4   11   11 o   90.654   1.0872  1126.03   26.990  1109.45   38.354  1142.29   37.988   89.951   1.5571   91.276   1.5199 -1.324699 2.175912 
1 1 1    4   11   12 o   68.035   0.8776  634.068   16.350  653.292   26.363  622.052   20.843   69.032   1.3946   67.376   1.1297 1.656189 1.794735 
1 1 1    4   11   13 o   74.966   0.9845  769.994   20.210  794.984   36.513  758.956   24.266   76.116   1.7518   74.415   1.1909 1.700897 2.118238 
1 1 1    4   11   14 o   97.153   0.9845  1293.33   26.191  1301.74   38.178  1285.86   35.999   97.426   1.4310   96.838   1.3575 0.5880127 1.972497 
1 1 1    4   11   15 o   96.346   1.1404  1272.50   30.087  1298.28   43.925  1249.71   41.295   97.253   1.6494   95.426   1.5803 1.826492 2.284247 
1 1 1    4   11   16 o  120.477   1.1657  1990.31   38.459  2086.09   58.206  1916.09   51.236  123.231   1.7249  118.134   1.5838 5.097168 2.341738 
1 1 1    4   11   17 o   66.164   1.0746  600.279   19.470  619.346   24.240  565.615   32.683   67.182   1.3176   64.131   1.8611 3.051239 2.280308 
1 1 1    4   11   18 o   64.869   1.0007  577.015   17.776  594.078   24.547  558.201   25.777   65.779   1.3628   63.746   1.4767 2.032642 2.009437 
1 1 1    4   11   19 o   34.775   1.2962  166.059   12.343  165.223   17.304  166.925   17.612   34.589   1.8335   34.763   1.8569 -0.1744118 2.609531 
1 1 1    4   11   20 o   56.690   1.2319  441.397   19.124  448.577   35.537  438.470   22.689   56.936   2.2793   56.465   1.4674 0.4702415 2.710818 
1 1 1    4   11   21 o   22.074   2.0778   68.061   12.412   76.314   17.361   59.432   17.752   23.213   2.7868   20.301   3.3073 2.912344 4.324853 
1 1 1    4   11   22 o   36.132   1.3743  180.033   13.598  186.273   19.216  173.774   19.244   36.579   1.9251   35.305   1.9988 1.274662 2.775102 
1 1 1    4   11   23 o   24.183   2.2371   82.992   14.647  104.440   17.684   36.143   26.137   27.077   2.4102   15.241   5.2104 11.83607 5.740872 
1 1 1    4   11   24 o   38.739   1.3666  208.743   14.497  211.636   18.913  204.621   22.574   38.795   1.7803   37.839   2.1879 0.9564667 2.820707 
1 1 1    4   11   25 o   9.3255   3.4643   11.949   11.797   5.8978   15.917   19.325   17.573   8.9495   3.7805   11.277   4.2205 -2.327939 5.666131 
1 1 1    4   11   26 o   7.5052   3.1934   3.1334   11.494   0.2357   16.321   5.9845   16.189   8.1684   3.6325   8.8626   3.7809 -0.6941385 5.243089 
1 1 1    4   12    0 o  202.198   2.3502  5602.98  130.088  5602.98  130.088  5602.98  130.088  202.198   2.3502  202.198   2.3502 0.000000 0.000000 
1 1 1    4   12    1 o   95.138   0.9969  1239.51   25.971  1273.67   38.732  1211.60   35.008   96.429   1.4668   94.053   1.3593 2.375877 1.999789 
1 1 1    4   12    2 o  128.188   1.4129  2250.78   49.595  2304.82   87.218  2224.96   60.290  129.663   2.4564  127.438   1.7277 2.225967 3.003118 
1 1 1    4   12    3 o   95.994   1.0023  1261.96   26.346  1188.44   43.331  1305.08   33.184   93.136   1.6990   97.614   1.2415 -4.478508 2.104238 
1 1 1    4   12    4 o   41.874   1.1562  240.160   13.257  236.311   19.823  243.273   17.832   41.528   1.7432   42.139   1.5454 -0.6107521 2.329541 
1 1 1    4   12    5 o  185.208   2.0200  4702.13  102.450  3585.27  203.549  5081.06  118.562  161.320   4.6078  192.498   2.2492 -31.17793 5.127415 
1 1 1    4   12    6 o  205.650   1.6944  5796.33   95.420  5585.65  130.524  6038.18  139.846  201.782   2.3622  209.784   2.4344 -8.001984 3.392069 
1 1 1    4   12    7 o   46.328   0.8671  293.955   11.000  318.544   22.513  286.243   12.607   48.205   1.7055   45.714   1.0071 2.491146 1.980676 
1 1 1    4   12    8 o   49.750   0.9369  339.031   12.764  343.788   20.859  336.184   16.138   50.080   1.5211   49.534   1.1898 0.5456505 1.931126 
1 1 1    4   12    9 o  105.964   1.0056  1538.28   29.179  1545.59   43.147  1532.11   39.610  106.179   1.4840  105.725   1.3682 0.4538193 2.018422 
1 1 1    4   12   10 o   71.744   0.9271  705.132   18.213  716.454   23.206  686.973   29.390   72.307   1.1720   70.783   1.5163 1.523842 1.916463 
1 1 1    4   12   11 o   80.527   0.9505  888.403   20.960  877.341   31.938  896.772   27.780   79.992   1.4580   80.888   1.2542 -0.8959122 1.923236 
1 1 1    4   12   12 o   65.018   0.8137  579.088   14.487  592.530   20.904  566.664   20.097   65.752   1.1610   64.302   1.1413 1.450111 1.628039 
1 1 1    4   12   13 f   29.903   1.1609  122.566   9.5061  131.051   15.073  116.964   12.249   30.845   1.7923   29.159   1.5395 1.686331 2.362735 
1 1 1    4   12   14 o  123.336   1.1683  2085.48   39.457  2105.65   58.113  2068.23   53.743  123.838   1.7137  122.755   1.5988 1.083214 2.343691 
1 1 1    4   12   15 o   7.5348   3.0853   2.7261   10.138  -6.0044   13.544   13.852   15.289   7.3124   3.2763   10.934   3.9633 -3.621684 5.142133 
1 1 1    4   12   16 o   38.867   1.0859  207.144   11.557  196.420   15.655  219.988   17.133   37.821   1.5116   40.021   1.5633 -2.200703 2.174621 
1 1 1    4   12   17 o   40.578   1.1679  225.904   12.977  224.288   17.479  227.888   19.372   40.399   1.5800   40.706   1.7379 -0.3071022 2.348774 
1 1 1    4   12   18 o   66.236   1.0876  601.901   19.727  629.119   25.389  560.439   31.336   67.677   1.3700   63.804   1.7935 3.873451 2.256896 
1 1 1    4   12   19 o   17.090   2.5179   41.328   11.430   50.769   16.562   32.741   15.795   18.785   3.3422   14.965   3.8365 3.819737 5.088112 
1 1 1    4   12   20 o   73.013   1.1106  732.150   22.205  767.739   35.392  709.047   28.515   74.601   1.7325   71.773   1.4508 2.828011 2.259735 
1 1 1    4   12   21 o   21.369   2.0857   64.047   12.049   61.460   17.164   66.561   16.920   20.626   3.1378   21.544   2.9452 -0.9184513 4.303474 
1 1 1    4   12   22 o   17.632   2.6013   44.858   12.183   45.248   18.501   44.560   16.188   17.188   4.0051   17.227   3.5496 -0.3870964E-01 5.351666 
1 1 1    4   12   23 o   22.173   2.3618   70.846   14.119   96.922   16.955   11.864   25.501   25.940   2.4147   11.538   4.8242 14.40224 5.394768 
1 1 1    4   12   24 o   11.783   3.3189   21.924   11.166   10.304   15.839   33.405   15.743   9.6541   3.8918   14.237   3.9158 -4.583197 5.520828 
1 1 1    4   12   25 o   6.3643   2.9037  -4.5730   11.225   3.6646   15.482 -13.7028   16.299   8.4680   3.6562   6.8507   3.2468 1.617326 4.889716 
1 1 1    4   13    0 o  147.843   1.9634  2996.26   79.455  2996.26   79.455  2996.26   79.455  147.843   1.9634  147.843   1.9634 0.000000 0.000000 
1 1 1    4   13    1 o   57.692   1.0586  455.894   16.723  443.346   23.786  468.160   23.517   56.880   1.5271   58.452   1.4692 -1.571934 2.119137 
1 1 1    4   13    2 o  100.313   1.1050  1378.39   30.354  1370.09   47.703  1384.03   39.347   99.978   1.7424  100.503   1.4297 -0.5256119 2.253889 
1 1 1    4   13    3 o   42.652   0.9217  249.161   10.764  228.359   18.574  259.682   13.209   40.817   1.6618   43.540   1.1079 -2.722645 1.997240 
1 1 1    4   13    4 o   86.659   1.1158  1028.78   26.479  1022.70   49.857  1031.17   31.251   86.342   2.1087   86.750   1.3155 -0.4079514 2.485410 
1 1 1    4   13    5 o   52.661   1.1218  379.927   16.177  514.434   81.675  374.435   16.504   60.741   4.9535   52.278   1.1529 8.463524 5.085886 
1 1 1    4   13    6 o  152.915   1.5658  3205.87   65.565  3087.33   98.563  3299.95   87.811  149.926   2.4007  155.066   2.0680 -5.139633 3.168607 
1 1 1    4   13    7 o  105.837   1.0358  1534.65   30.019  1536.39   46.607  1533.42   39.242  105.849   1.6080  105.770   1.3549 0.7890320E-01 2.102683 
1 1 1    4   13    8 o   66.121   0.8212  598.848   14.869  598.589   23.930  599.011   18.976   66.084   1.3224   66.121   1.0480 -0.3675842E-01 1.687337 
1 1 1    4   13    9 o   10.056   2.3630   14.456   6.3968   18.216   9.5875   11.439   8.5877   11.308   3.0334   9.2486   2.9813 2.059637 4.253188 
1 1 1    4   13   10 o   77.875   0.9090  830.833   19.385  824.173   30.508  835.343   25.103   77.528   1.4370   78.071   1.1742 -0.5425797 1.855762 
1 1 1    4   13   11 o  116.258   1.3203  1853.08   42.032  1847.10   59.353  1859.10   59.531  115.991   1.8686  116.367   1.8682 -0.3762054 2.642344 
1 1 1    4   13   12 o   28.385   1.0790  110.427   8.3865  124.643   12.136   97.433   11.603   30.143   1.4703   26.598   1.6004 3.545017 2.173239 
1 1 1    4   13   13 o   46.059   0.8979  290.692   11.324  292.193   17.013  289.498   15.174   46.155   1.3461   45.949   1.2060 0.2051773 1.807315 
1 1 1    4   13   14 o   70.082   0.9982  673.242   19.157  733.898   34.883  647.047   22.924   73.086   1.7430   68.686   1.2188 4.399910 2.126819 
1 1 1    4   13   15 o   48.392   1.0118  321.060   13.408  338.250   18.051  299.901   20.026   49.646   1.3277   46.726   1.5651 2.919971 2.052409 
1 1 1    4   13   16 o   86.779   0.9789  1032.56   23.261  1058.79   34.068  1009.64   31.837   87.805   1.4169   85.754   1.3558 2.051216 1.961021 
1 1 1    4   13   17 o   25.389   1.6240   89.015   11.232   92.743   15.475   84.866   16.326   25.827   2.2095   24.652   2.4509 1.174124 3.299814 
1 1 1    4   13   18 o   17.431   2.5719   43.009   11.907   43.288   15.612   42.622   18.410   17.297   3.4172   17.047   4.0107 0.2499142 5.269062 
1 1 1    4   13   19 o   64.443   1.0675  570.194   18.838  635.420   29.953  527.511   24.231   67.909   1.6107   61.916   1.4291 5.992832 2.153348 
1 1 1    4   13   20 o   17.229   2.8189   42.706   12.839   39.446   21.172   44.602   16.147   16.175   4.5752   17.415   3.5074 -1.239359 5.764920 
1 1 1    4   13   21 o   61.669   1.0827  523.581   18.284  580.156   29.447  488.085   23.325   64.675   1.6627   59.419   1.4335 5.255493 2.195319 
1 1 1    4   13   22 o   26.301   1.5471   96.608   11.093  125.041   16.852   74.866   14.736   29.708   2.0848   22.823   2.3935 6.884312 3.174156 
1 1 1    4   13   23 o   23.430   2.0486   78.783   13.012   87.535   16.102   62.313   22.089   24.481   2.4342   19.395   4.2743 5.085892 4.918784 
1 1 1    4   13   24 o   27.471   1.7261  107.509   12.918  108.908   15.980  104.872   21.947   27.360   2.1502   26.008   3.1456 1.352196 3.810282 
1 1 1    4   14    0 o   78.380   1.3801  842.378   29.602  842.378   29.602  842.378   29.602   78.380   1.3801   78.380   1.3801 0.000000 0.000000 
1 1 1    4   14    1 o   21.250   0.7823   61.849   4.5523   59.703   6.5505   63.854   6.3311   20.842   1.1522   21.589   1.0709 -0.7462749 1.573040 
1 1 1    4   14    2 o   57.381   1.1897  451.184   18.694  432.390   22.806  489.666   32.634   56.161   1.4830   59.734   1.9950 -3.573475 2.485836 
1 1 1    4   14    3 f   72.901   1.0283  728.117   20.528  704.411   39.514  736.880   24.025   71.641   2.0142   73.331   1.1964 -1.689293 2.342732 
1 1 1    4   14    4 o   51.311   0.9847  360.693   13.835  341.433   28.425  366.672   15.838   49.871   2.0814   51.730   1.1180 -1.858738 2.362705 
1 1 1    4   14    5 o  134.093   2.1230  2468.82   77.955   0.0000   0.0000  2468.82   77.955  ?   ?   134.093   2.1230 0.000000 2.122989 
1 1 1    4   14    6 o   93.983   1.2434  1210.57   32.001  1204.41   46.894  1215.94   43.778   93.689   1.8278   94.151   1.6980 -0.4613419 2.494852 
1 1 1    4   14    7 o   58.764   0.9833  473.114   15.823  437.136   25.619  495.299   20.118   56.452   1.6573   60.115   1.2221 -3.663647 2.059172 
1 1 1    4   14    8 o   78.625   1.0574  847.082   22.767  832.757   29.166  869.424   36.425   77.936   1.3666   79.607   1.6709 -1.670990 2.158634 
1 1 1    4   14    9 o   69.779   0.8505  667.044   16.251  652.764   21.950  684.367   24.176   69.012   1.1615   70.657   1.2495 -1.645020 1.705988 
1 1 1    4   14   10 o  101.998   1.0645  1425.82   29.733  1413.85   47.268  1433.65   38.249  101.494   1.7007  102.246   1.3661 -0.7525101 2.181449 
1 1 1    4   14   11 o  110.356   1.1765  1669.61   35.554  1692.96   55.493  1653.36   46.307  111.022   1.8253  109.766   1.5406 1.256729 2.388572 
1 1 1    4   14   12 f   91.900   1.0143  1157.62   25.525  1181.01   40.238  1141.87   33.018   92.750   1.5843   91.238   1.3216 1.512894 2.063126 
1 1 1    4   14   13 o   29.960   1.1252  123.082   9.2309  145.140   13.548  103.968   12.611   32.513   1.5217   27.458   1.6854 5.055120 2.270721 
1 1 1    4   14   14 o   31.199   1.2659  133.561   10.815  125.386   16.908  139.222   14.071   30.105   2.0634   31.790   1.6217 -1.684641 2.624405 
1 1 1    4   14   15 o   30.700   1.3315  129.396   11.194  140.113   14.868  115.371   17.008   31.872   1.7097   28.843   2.1693 3.029045 2.762076 
1 1 1    4   14   16 o   46.917   1.0605  301.979   13.625  310.083   18.440  292.235   20.220   47.506   1.4175   46.096   1.6019 1.409771 2.139009 
1 1 1    4   14   17 o   18.173   2.2438   46.342   10.929   52.739   15.141   39.383   15.792   19.245   2.9685   16.442   3.6065 2.802647 4.671034 
1 1 1    4   14   18 o   92.665   1.0560  1178.91   26.797  1221.34   38.775  1140.12   37.076   94.185   1.5034   91.005   1.4878 3.180252 2.115112 
1 1 1    4   14   19 o   22.659   1.8667   71.566   11.479   85.012   17.260   60.900   15.373   24.516   2.6111   20.656   2.7890 3.859703 3.820552 
1 1 1    4   14   20 o   25.341   1.7641   89.583   12.165   73.649   18.506  101.706   16.142   22.529   3.0804   26.871   2.2135 -4.341499 3.793176 
1 1 1    4   14   21 o   25.302   1.8392   90.070   12.656  117.327   22.183   76.916   15.411   28.369   2.8962   23.120   2.4725 5.248440 3.808020 
1 1 1    4   14   22 o   15.731   2.4329   36.440   10.142   24.041   15.551   45.615   13.379   12.308   4.0153   17.395   2.9115 -5.086800 4.959823 
1 1 1    4   14   23 o   20.406   1.9642   60.105   10.840   70.696   15.351   49.568   15.311   21.723   2.6345   17.739   3.2725 3.984089 4.201188 
1 1 1    4   14   24 o   13.105   3.0771   27.432   10.854   32.226   18.065   24.724   13.577   13.440   4.3231   12.125   3.7275 1.314599 5.708259 
1 1 1    4   15    0 o   79.307   1.1665  862.091   25.321  862.091   25.321  862.091   25.321   79.307   1.1665   79.307   1.1665 0.000000 0.000000 
1 1 1    4   15    1 o  129.442   1.0703  2295.81   37.937  2260.61   56.328  2325.03   51.323  128.386   1.6022  130.224   1.4392 -1.837631 2.153702 
1 1 1    4   15    2 o   24.384   1.4887   81.831   9.8926  102.507   19.525   74.690   11.474   27.170   2.6583   23.261   1.8158 3.909950 3.219327 
1 1 1    4   15    3 o  114.488   1.3418  1796.82   42.067  1730.80   75.130  1826.96   50.771  112.207   2.4451  115.414   1.6065 -3.206436 2.925648 
1 1 1    4   15    4 o  105.331   1.1748  1520.51   33.886  1487.62   53.238  1542.91   43.935  104.110   1.8674  106.071   1.5126 -1.961029 2.403179 
1 1 1    4   15    5 o   52.256   1.0204  374.162   14.602  399.893   34.458  368.530   16.121   53.937   2.3329   51.857   1.1352 2.080669 2.594500 
1 1 1    4   15    6 f  100.905   1.1772  1395.55   32.529  1309.96   50.300  1457.08   42.648   97.682   1.8804  103.071   1.5110 -5.388252 2.412314 
1 1 1    4   15    7 o   63.664   0.9971  555.377   17.383  555.224   29.280  555.460   21.601   63.608   1.6810   63.654   1.2392 -0.4647064E-01 2.088442 
1 1 1    4   15    8 o   42.756   0.9559  250.493   11.192  245.431   15.251  256.401   16.476   42.307   1.3164   43.238   1.3915 -0.9313812 1.915527 
1 1 1    4   15    9 o   75.265   1.0782  776.472   22.222  770.536   29.160  784.694   34.319   74.946   1.4208   75.606   1.6576 -0.6592636 2.183236 
1 1 1    4   15   10 o   44.674   0.8809  273.484   10.776  238.234   18.360  292.011   13.310   41.656   1.6095   46.155   1.0531 -4.498379 1.923429 
1 1 1    4   15   11 o   46.206   0.8973  292.589   11.353  303.596   19.678  287.096   13.900   47.025   1.5281   45.759   1.1093 1.266327 1.888320 
1 1 1    4   15   12 o   98.972   1.0640  1343.14   28.836  1348.85   44.965  1339.14   37.582   99.079   1.6573   98.774   1.3895 0.3053589 2.162698 
1 1 1    4   15   13 o   32.890   1.1041  148.373   9.9442  134.989   14.802  159.384   13.425   31.284   1.7346   34.068   1.4391 -2.784021 2.253881 
1 1 1    4   15   14 o   49.917   0.9225  341.629   12.609  345.538   18.093  337.939   17.582   50.166   1.3171   49.614   1.2941 0.5522652 1.846497 
1 1 1    4   15   15 o   26.937   1.5893  100.141   11.671  105.625   16.475   94.616   16.536   27.570   2.2006   26.058   2.3424 1.512291 3.213925 
1 1 1    4   15   16 o   39.739   1.1819  216.846   12.862  224.151   16.345  204.966   20.843   40.370   1.4785   38.484   1.9846 1.885826 2.474845 
1 1 1    4   15   17 o   23.605   1.5825   77.120   10.170   93.905   15.298   63.827   13.613   25.944   2.1733   21.311   2.3730 4.632492 3.217844 
1 1 1    4   15   18 o   42.607   1.1614  249.692   13.550  257.402   17.694  238.758   21.071   43.194   1.4959   41.517   1.8534 1.677597 2.381769 
1 1 1    4   15   19 o   27.565   1.6066  105.628   12.074   96.042   15.838  118.930   18.657   26.093   2.2382   29.007   2.3696 -2.913395 3.259535 
1 1 1    4   15   20 o   7.3989   3.0551   3.1919   10.046  -3.3635   15.276   8.1878   13.336   7.8814   3.5090   9.1139   3.6053 -1.232453 5.030989 
1 1 1    4   15   21 o   16.238   2.3182   38.522   10.016   42.772   15.122   35.201   13.368   16.554   3.4480   15.040   3.3334 1.513732 4.795889 
1 1 1    4   15   22 o   14.205   2.7711   30.897   10.392   44.823   14.623   16.688   14.771   16.856   3.2862   10.570   3.8857 6.285686 5.089016 
1 1 1    4   15   23 o   6.9145   3.0357   0.0197   11.055   2.4753   14.999  -2.9013   16.359   8.1784   3.5646   7.8328   3.5469 0.3456073 5.028555 
1 1 1    4   16    0 f   83.780   1.4645  962.725   33.576  962.725   33.576  962.725   33.576   83.780   1.4645   83.780   1.4645 0.000000 0.000000 
1 1 1    4   16    1 o   33.812   0.8806  156.624   8.1530  138.021   18.491  161.114   9.0836   31.620   2.1483   34.291   0.9674 -2.670568 2.356023 
1 1 1    4   16    2 o   57.786   1.1648  457.687   18.432  468.209   32.355  452.631   22.427   58.382   2.0238   57.450   1.4256 0.9323006 2.475521 
1 1 1    4   16    3 o   45.068   0.9432  278.302   11.641  280.241   21.389  277.487   13.875   45.186   1.7286   44.995   1.1261 0.1911316 2.063049 
1 1 1    4   16    4 o   58.975   0.9667  476.585   15.612  446.845   26.251  492.859   19.419   57.060   1.6801   59.962   1.1827 -2.902073 2.054617 
1 1 1    4   16    5 o   74.141   1.0250  753.332   20.809  737.539   34.266  762.560   26.193   73.300   1.7071   74.575   1.2826 -1.274811 2.135288 
1 1 1    4   16    6 o   56.126   1.0640  431.768   16.352  417.867   26.529  440.285   20.766   55.164   1.7562   56.659   1.3384 -1.494823 2.208090 
1 1 1    4   16    7 o   59.892   1.0614  491.685   17.408  479.242   27.898  499.618   22.276   59.074   1.7246   60.352   1.3479 -1.277954 2.188869 
1 1 1    4   16    8 o   33.132   1.2606  150.564   11.438  163.611   21.843  145.636   13.425   34.388   2.3334   32.574   1.5051 1.814327 2.776706 
1 1 1    4   16    9 o   44.238   1.0922  268.331   13.231  305.994   17.603  219.420   20.060   47.222   1.3613   39.952   1.8335 7.270184 2.283637 
1 1 1    4   16   10 o   35.507   1.2713  172.983   12.361  166.535   19.961  176.994   15.742   34.713   2.1100   35.895   1.6016 -1.181629 2.648941 
1 1 1    4   16   11 f   44.625   0.8402  272.935   10.268  248.887   15.483  291.812   13.718   42.582   1.3278   46.128   1.0860 -3.545071 1.715360 
1 1 1    4   16   12 f   31.803   1.0168  138.707   8.8552  136.670   13.642  140.190   11.641   31.492   1.5871   31.954   1.3304 -0.4618263 2.070914 
1 1 1    4   16   13 o   40.300   1.0540  222.798   11.632  217.562   14.937  230.863   18.540   39.798   1.3706   40.966   1.6527 -1.168468 2.147106 
1 1 1    4   16   14 o   28.061   1.2409  108.129   9.5349   97.950   13.473  118.343   13.496   26.594   1.8618   29.271   1.6909 -2.676697 2.515083 
1 1 1    4   16   15 o   47.981   1.0340  315.962   13.586  299.674   17.300  342.176   21.946   46.688   1.3531   49.847   1.6078 -3.159229 2.101425 
1 1 1    4   16   16 o   29.393   1.2602  118.807   10.143  136.121   14.687  103.019   14.025   31.357   1.7169   27.232   1.8925 4.125412 2.555294 
1 1 1    4   16   17 o   57.854   0.9360  459.741   14.828  466.806   20.703  452.300   21.248   58.211   1.2988   57.284   1.3546 0.9269905 1.876621 
1 1 1    4   16   18 o   21.638   1.7109   65.423   10.055   72.488   15.971   60.785   12.941   22.485   2.6445   20.675   2.3261 1.809565 3.521999 
1 1 1    4   16   19 o   13.942   2.5882   28.620   9.5172   46.708   14.380   14.521   12.695   17.688   3.0808   10.260   3.6239 7.428012 4.756472 
1 1 1    4   16   20 o   9.3433   3.1976   12.555   9.8437   19.047   15.910   8.5290   12.530   11.304   4.0500   8.8667   3.4987 2.437726 5.351937 
1 1 1    4   16   21 o   11.535   2.9808   20.833   9.4830   34.164   14.345   10.485   12.638   14.459   3.6288   9.1271   3.5393 5.331589 5.068973 
1 1 1    4   16   22 o   6.9480   2.9914   1.5360   10.305  -1.0126   17.166   2.9720   12.884   8.2052   3.6815   7.8027   3.3519 0.4025550 4.978831 
1 1 1    4   17    0 o   52.585   1.1733  379.421   16.875  379.421   16.875  379.421   16.875   52.585   1.1733   52.585   1.1733 0.000000 0.000000 
1 1 1    4   17    1 o   90.093   1.3373  1113.32   32.992  1003.92   46.557  1223.67   46.759   85.460   1.9895   94.383   1.8092 -8.922836 2.689071 
1 1 1    4   17    2 o   40.971   1.1857  230.157   13.303  227.346   21.511  231.898   16.928   40.672   1.9315   41.107   1.5038 -0.4357300 2.447860 
1 1 1    4   17    3 o   55.308   0.9859  419.262   14.931  378.475   25.280  441.114   18.504   52.491   1.7587   56.718   1.1914 -4.227074 2.124274 
1 1 1    4   17    4 o   48.102   1.0081  317.143   13.278  291.731   23.889  328.504   15.973   46.070   1.8936   48.945   1.1917 -2.874668 2.237389 
1 1 1    4   17    5 o   78.228   1.0794  839.000   23.123  821.678   38.536  848.745   28.905   77.323   1.8200   78.653   1.3420 -1.330338 2.261299 
1 1 1    4   17    6 o   79.611   1.1519  869.154   25.112  867.249   39.745  870.420   32.398   79.428   1.8273   79.627   1.4858 -0.1988373 2.355157 
1 1 1    4   17    7 o   30.925   1.3770  131.251   11.661   95.516   22.168  144.922   13.711   26.063   3.1714   32.485   1.5413 -6.422285 3.526117 
1 1 1    4   17    8 o   75.204   1.1153  775.661   22.969  756.403   37.833  786.903   28.906   74.153   1.8631   75.711   1.3942 -1.557999 2.327043 
1 1 1    4   17    9 o   21.689   2.0351   65.357   11.946   76.834   24.089   61.614   13.756   23.126   3.9455   20.985   2.4394 2.141491 4.638692 
1 1 1    4   17   10 o   52.365   1.2072  376.313   17.311  363.066   30.069  382.879   21.171   51.308   2.1402   52.791   1.4645 -1.482956 2.593279 
1 1 1    4   17   11 o   40.273   1.0985  222.528   12.114  225.681   16.876  219.177   17.401   40.519   1.5210   39.924   1.5917 0.5955772 2.201543 
1 1 1    4   17   12 o   36.539   0.9156  183.085   9.1611  157.599   14.420  200.335   11.863   33.851   1.5556   38.206   1.1339 -4.355011 1.925010 
1 1 1    4   17   13 o   23.356   1.3062   75.193   8.3207   66.777   12.582   81.735   11.093   21.880   2.1269   24.304   1.6770 -2.424187 2.708520 
1 1 1    4   17   14 o   15.451   2.3922   33.899   9.7943   34.047   12.367   33.649   16.041   15.335   3.0524   15.112   3.8618 0.2233305 4.922468 
1 1 1    4   17   15 o   35.859   1.7106  177.677   16.797  177.677   16.797   0.0000   0.0000   35.859   1.7106  ?   ?  0.000000 1.710559 
1 1 1    4   17   16 o   41.529   1.0627  237.223   12.085  228.201   18.572  243.849   15.916   40.594   1.6707   42.038   1.3826 -1.443459 2.168592 
1 1 1    4   17   17 o   26.895   1.3243   99.999   9.7531  115.650   13.958   85.067   13.634   28.759   1.7811   24.564   2.0455 4.195541 2.712303 
1 1 1    4   17   18 o   38.641   1.1126  206.350   11.773  207.832   17.166  205.034   16.177   38.577   1.6250   38.355   1.5402 0.2223892 2.238959 
1 1 1    4   17   19 o   20.755   1.7183   61.081   9.6783   62.219   15.059   60.280   12.633   20.416   2.7647   20.343   2.3087 0.7312965E-01 3.601896 
1 1 1    4   17   20 o   12.566   2.9267   24.641   9.8833   19.862   13.663   29.887   14.314   11.149   3.7674   13.429   3.7492 -2.280253 5.315005 
1 1 1    4   17   21 o   17.572   2.2190   45.676   10.439   61.840   17.650   36.979   12.947   19.584   3.4155   15.187   3.2134 4.396543 4.689497 
1 1 1    4   18    0 o   63.794   1.0564  558.067   18.443  558.067   18.443  558.067   18.443   63.794   1.0564   63.794   1.0564 0.000000 0.000000 
1 1 1    4   18    1 o   48.965   0.9701  328.659   13.007  303.813   22.160  341.719   16.066   47.017   1.7211   49.914   1.1754 -2.896755 2.084222 
1 1 1    4   18    2 o   87.921   1.4584  1061.28   35.113  1089.79   45.044  1017.12   56.057   89.020   1.8478   85.876   2.3838 3.144257 3.016117 
1 1 1    4   18    3 o   52.300   0.9798  374.984   14.032  354.003   25.360  384.241   16.845   50.737   1.8253   52.928   1.1622 -2.191322 2.163917 
1 1 1    4   18    4 o   59.204   1.2099  480.861   19.615  467.231   29.335  491.884   26.380   58.283   1.8380   59.833   1.6101 -1.549610 2.443504 
1 1 1    4   18    5 o   67.147   1.1373  618.454   20.912  581.349   33.148  642.985   26.952   65.002   1.8622   68.429   1.4384 -3.426338 2.353044 
1 1 1    4   18    6 o   25.171   1.6418   87.463   11.255   62.775   23.300   94.977   12.854   20.781   4.2381   26.213   1.8016 -5.432093 4.605104 
1 1 1    4   18    7 o   26.467   1.6149   96.660   11.648   94.792   23.780   97.250   13.361   25.857   3.4443   26.516   1.8517 -0.6591568 3.910456 
1 1 1    4   18    8 o   80.116   1.1930  880.897   26.174  893.402   44.441  874.256   32.387   80.508   2.0158   79.763   1.4828 0.7448196 2.502441 
1 1 1    4   18    9 o   74.699   1.2240  766.011   25.037  718.684   40.350  795.639   31.927   72.186   2.0413   76.073   1.5326 -3.887413 2.552603 
1 1 1    4   18   10 o   11.754   3.5756   19.515   12.535   49.658   25.963   10.353   14.313   18.304   5.0263   10.016   3.7959 8.287653 6.298590 
1 1 1    4   18   11 o   7.6571   3.1171   3.3426   10.272  -6.9769   14.172   14.763   14.909   7.3527   3.3179   10.967   3.9214 -3.614109 5.136768 
1 1 1    4   18   12 o   58.477   1.0676  469.510   17.096  473.418   23.831  465.366   24.539   58.643   1.4840   58.130   1.5416 0.5132675 2.139800 
1 1 1    4   18   13 o   48.337   0.8488  320.581   11.235  295.305   16.394  342.970   15.429   46.327   1.2923   49.955   1.1279 -3.628319 1.715231 
1 1 1    4   18   14 o   40.789   0.9230  228.520   10.309  205.500   14.566  251.624   14.593   38.605   1.3779   42.745   1.2467 -4.140556 1.858185 
1 1 1    4   18   15 o   41.197   1.3570  234.439   15.308  234.439   15.308   0.0000   0.0000   41.197   1.3570  ?   ?  0.000000 1.356979 
1 1 1    4   18   16 o   48.048   0.9155  317.779   12.045  319.099   17.068  316.469   17.000   48.020   1.2980   47.821   1.2982 0.1984177 1.835811 
1 1 1    4   18   17 o   25.765   1.3512   92.537   9.5000   91.489   15.469   93.172   12.037   25.220   2.2640   25.713   1.7194 -0.4930153 2.842942 
1 1 1    4   18   18 o   38.912   1.1393  210.195   12.140  201.177   19.178  216.224   15.681   37.641   1.8606   39.295   1.4573 -1.654575 2.363377 
1 1 1    4   18   19 o   19.090   1.8506   52.456   9.5529   78.496   15.328   35.917   12.216   22.977   2.4752   15.136   3.0525 7.840473 3.929956 
1 1 1    4   19    0 o   28.731   0.9747  113.496   7.6487  113.496   7.6487  113.496   7.6487   28.731   0.9747   28.731   0.9747 0.000000 0.000000 
1 1 1    4   19    1 o   58.514   1.0165  469.561   16.288  434.867   25.950  492.115   20.923   56.230   1.6853   59.874   1.2761 -3.644554 2.113974 
1 1 1    4   19    2 o   25.847   1.7649   92.352   12.417   91.852   21.897   92.588   15.075   25.500   3.2068   25.821   2.1517 -0.3208027 3.861761 
1 1 1    4   19    3 o   66.989   1.1074  615.655   20.314  607.535   33.527  620.365   25.534   66.428   1.8431   67.206   1.3875 -0.7784271 2.306976 
1 1 1    4   19    4 o   19.132   1.9348   50.939   9.9974   79.646   23.196   44.390   11.079   23.581   3.7152   17.777   2.3322 5.804106 4.386578 
1 1 1    4   19    5 f   16.739   2.2869   39.407   10.208   55.437   23.215   35.565   11.366   19.421   4.4593   15.799   2.7257 3.622673 5.226374 
1 1 1    4   19    6 o   71.073   1.0960  693.122   21.330  628.158   34.767  732.334   27.012   67.519   1.8804   73.015   1.3510 -5.496094 2.315417 
1 1 1    4   19    7 o   24.343   1.8168   82.097   12.024   84.216   23.831   81.374   13.926   24.225   3.7106   24.183   2.1245 0.4194260E-01 4.275752 
1 1 1    4   19    8 o   29.485   1.9266  120.445   15.470  125.372   25.534  117.588   19.444   29.792   3.1789   29.022   2.4702 0.7701416 4.025865 
1 1 1    4   19    9 o   43.905   1.2927  264.944   15.542  235.786   27.815  278.180   18.741   41.137   2.4808   44.955   1.5223 -3.818245 2.910680 
1 1 1    4   19   10 o   15.181   3.1261   33.477   12.563   81.539   25.477   18.037   14.440   23.596   4.0913   11.544   3.8732 12.05157 5.633850 
1 1 1    4   19   11 o   33.285   1.6755  153.370   15.223  166.208   38.885  151.047   16.543   33.667   4.3173   32.994   1.8383 0.6729050 4.692377 
1 1 1    4   19   12 o   38.766   1.1156  206.718   11.842  186.454   15.786  232.798   17.909   36.734   1.5694   41.040   1.5936 -4.306221 2.236617 
1 1 1    4   19   13 o   14.282   2.5665   29.577   9.6683   19.613   13.010   41.868   14.450   11.614   3.6616   16.827   3.2536 -5.212621 4.898275 
1 1 1    4   19   14 o   6.3326   2.4207   4.0637   5.8528  -5.6205   10.570   8.3458   7.0286   6.2125   2.8279   7.9046   2.7020 -1.692088 3.911239 
1 1 1    4   19   15 o   15.979   1.6793   36.086   7.2381   39.591   10.004   32.235   10.486   16.545   2.2678   14.740   2.6972 1.805146 3.523906 
1 1 1    4   19   16 o   14.852   1.9856   31.834   7.8733   28.787   12.202   34.008   10.306   13.553   3.3150   15.108   2.5840 -1.554448 4.203118 
1 1 1    4   19   17 o   9.6378   2.9345   14.244   8.4401   5.1085   13.301   20.402   10.920   8.3176   3.4814   11.335   3.3110 -3.016941 4.804502 
1 1 1    4   19   18 f   12.843   2.8490   25.759   9.7573   27.740   13.749   23.749   13.849   12.881   3.7016   11.938   3.7794 0.9425983 5.290163 
1 1 1    4   20    0 o   50.738   1.1435  353.468   15.869  353.468   15.869  353.468   15.869   50.738   1.1435   50.738   1.1435 0.000000 0.000000 
1 1 1    4   20    1 o   44.563   1.0159  272.462   12.397  212.169   21.632  301.946   15.127   39.155   2.0245   46.896   1.1780 -7.741341 2.342280 
1 1 1    4   20    2 o   38.093   1.4397  199.510   15.017  182.188   24.425  210.037   19.042   36.172   2.4809   39.042   1.7811 -2.869957 3.054028 
1 1 1    4   20    3 o   49.701   1.2825  339.364   17.455   0.0000   0.0000  339.364   17.455  ?   ?    49.701   1.2825 0.000000 1.282537 
1 1 1    4   20    4 o   60.336   1.4242  500.614   23.530   0.0000   0.0000  500.614   23.530  ?   ?    60.336   1.4242 0.000000 1.424187 
1 1 1    4   20    5 o   17.923   2.1712   45.083   10.439   23.137   20.464   52.802   12.136   13.251   4.6064   19.384   2.3333 -6.133164 5.163694 
1 1 1    4   20    6 o   11.211   3.3141   17.970   10.883   20.699   22.565   17.142   12.424   13.074   4.8032   11.132   3.5856 1.942036 5.993901 
1 1 1    4   20    7 o   49.036   1.2125  330.524   16.281  272.718   27.046  363.375   20.389   44.279   2.2378   51.372   1.4494 -7.092941 2.666143 
1 1 1    4   20    8 o   24.861   2.2094   86.518   14.885   76.004   24.141   92.966   18.906   22.719   4.0279   25.634   2.7356 -2.915096 4.869023 
1 1 1    4   20    9 o   46.245   1.2622  294.444   15.984  269.559   27.636  306.953   19.593   43.905   2.3067   47.158   1.5173 -3.253078 2.761008 
1 1 1    4   20   10 o   18.675   2.6004   49.931   12.938   17.862   35.293   54.909   13.906   14.034   5.7528   19.580   2.6626 -5.545516 6.339071 
1 1 1    4   20   11 o   24.589   1.8845   84.703   12.592   72.810   25.765   88.435   14.433   21.687   4.4865   25.052   2.1239 -3.364588 4.963809 
1 1 1    4   20   12 o   40.214   1.4119  224.112   15.548  199.807   27.659  235.339   18.799   37.279   2.7285   41.111   1.6699 -3.832294 3.198909 
1 1 1    4   20   13 o   10.608   3.1242   16.943   9.6877   33.262   12.848  -4.5607   14.749   14.748   3.2675   7.5546   3.3991 7.193007 4.714919 
1 1 1    4   20   14 o   13.468   2.8070   27.473   10.017   24.755   13.684   30.611   14.702   12.487   3.7220   13.811   3.7782 -1.324017 5.303577 
1 1 1    4   20   15 o   23.368   1.1044   75.775   7.0671   31.238   9.9450  121.207   10.044   14.390   2.6203   29.502   1.2433 -15.11203 2.900321 
1 1 1    4   20   16 o   15.092   1.6572   32.604   6.7362   29.383   9.6497   35.665   9.4077   13.876   2.6359   15.507   2.2839 -1.630538 3.487669 
1 1 1    4   21    0 o   7.7761   4.0537   12.352   11.270   12.352   11.270   12.352   11.270   7.7761   4.0537   7.7761   4.0537 0.000000 0.000000 
1 1 1    4   21    1 o   40.940   0.8462  229.965   9.4863  222.070   15.008  235.217   12.242   40.165   1.3646   41.379   1.0804 -1.213139 1.740469 
1 1 1    4   21    2 o   46.216   1.2582  293.810   15.923  319.626   28.641  282.261   19.157   47.980   2.1799   45.244   1.5462 2.735474 2.672585 
1 1 1    4   21    3 f   52.919   2.1034  388.662   30.480  388.662   30.480   0.0000   0.0000   52.919   2.1034  ?   ?  0.000000 2.103396 
1 1 1    4   21    4 o   35.417   1.2124  172.578   11.758  124.073   20.326  196.974   14.415   29.692   2.5238   37.808   1.3923 -8.116604 2.882360 
1 1 1    4   21    5 o   57.954   1.1441  462.012   18.157  425.380   30.916  481.301   22.434   55.330   2.0405   59.087   1.3865 -3.757729 2.466990 
1 1 1    4   21    6 o   11.470   3.2446   19.275   10.648   11.654   23.355   21.274   11.963   11.690   4.7213   12.031   3.4515 -0.3406115 5.848345 
1 1 1    4   21    7 o   33.608   1.4614  156.086   13.449  128.441   22.603  171.238   16.734   30.013   2.7819   35.135   1.7393 -5.122007 3.280834 
1 1 1    4   21    8 o   9.1628   3.6543   7.3579   13.805   0.0534   23.526   11.194   17.048   10.234   4.4623   10.439   4.0931 -0.2042055 6.055215 
1 1 1    4   21    9 o   14.965   3.1285   33.461   12.407 -13.9059   34.969   40.283   13.271   11.001   5.0585   16.485   3.0523 -5.483840 5.908014 
1 1 1    4   21   10 o   8.5658   3.3607   7.3989   11.499   7.1725   23.304   7.4718   13.221   10.761   4.5615   8.9449   3.5734 1.815680 5.794538 
1 1 1    4   21   11 o   28.056   2.4451  113.807   18.597   63.261   32.397  138.649   22.712   18.658   5.7616   30.797   2.7212 -12.13890 6.371910 
1 1 1    4   21   12 o   7.1387   3.1618  -1.7004   12.245   9.0011   28.570  -4.1087   13.553   11.334   4.9301   7.1965   3.2463 4.137798 5.902882 
1 1 1    4   21   13 o   12.610   3.5661   25.685   12.864   21.599   25.614   27.064   14.876   12.210   4.9397   12.819   3.8943 -0.6089201 6.290166 
1 1 1    4   21   14 o   15.436   3.8124   39.771   16.019   35.895   20.614   45.679   25.453   14.137   4.6235   15.470   5.1414 -1.332496 6.914559 
1 1 1    4   21   15 o   13.225   3.1713   28.100   11.336   46.653   14.972   3.1772   17.354   17.030   3.3299   8.7178   3.8159 8.312475 5.064538 
1 1 1    4   22    1 o   8.6968   2.2543   11.005   5.4131  -1.6542   8.9022   18.431   6.8184   6.2175   2.7270   11.267   2.2881 -5.049467 3.559747 
1 1 1    4   22    2 o   53.837   1.0462  399.034   15.423  345.678   29.194  419.692   18.165   49.674   2.1462   55.165   1.2025 -5.490768 2.460161 
1 1 1    4   22    3 o   13.286   2.4959   25.702   8.7473   3.1924   19.327   31.501   9.8095   9.7185   4.1382   14.736   2.5216 -5.017776 4.845891 
1 1 1    4   22    4 o   45.630   1.1292  287.123   14.110  240.222   26.562  305.558   16.653   41.181   2.3654   47.020   1.2934 -5.838902 2.695956 
1 1 1    4   22    5 o   29.375   1.3626  119.475   10.960   83.160   19.860  135.381   13.143   23.785   3.1248   31.222   1.5373 -7.436985 3.482460 
1 1 1    4   22    6 o   18.887   2.1802   51.000   11.068   35.722   19.909   57.835   13.316   14.955   4.4968   20.007   2.4839 -5.052499 5.137201 
1 1 1    4   22    7 o   11.965   3.7792   21.912   13.854   7.9866   19.464   36.211   19.722   10.160   4.2285   14.943   4.4716 -4.782974 6.154301 
1 1 1    4   22    8 o   8.4300   3.4777   5.2410   13.001  -4.6817   22.973   9.9164   15.769   9.3358   4.2175   9.7359   3.8979 -0.4000893 5.742881 
1 1 1    4   22    9 o   8.4561   3.4202   6.6115   12.276  -4.3878   32.575   8.4322   13.253   10.772   4.9270   8.9730   3.5800 1.799005 6.090265 
1 1 1    4   22   10 o   25.249   1.9065   91.150   13.085   50.286   30.819  100.135   14.452   16.176   5.6514   26.407   2.0137 -10.23078 5.999460 
1 1 1    4   22   11 o   14.239   3.4348   32.642   13.238   52.785   21.240   19.847   16.928   17.410   4.4410   11.300   4.1589 6.109839 6.084343 
1 1 1    4   22   12 o   7.6986   3.3739   0.8133   13.603  -9.4647   20.211   9.3249   18.392   8.0731   3.7585   9.7151   4.0817 -1.641987 5.548545 
1 1 1    4   22   13 o   9.4486   3.4275   13.225   11.438   22.238   19.959   8.8175   13.957   11.652   4.4665   8.9231   3.6331 2.728910 5.757494 
1 1 1    4   23    0 o   42.497   1.6922  251.413   19.621  251.413   19.621  251.413   19.621   42.497   1.6922   42.497   1.6922 0.000000 0.000000 
1 1 1    4   23    1 o   12.853   2.0428   23.930   6.9490   6.9160   23.340   25.585   7.2791   10.561   4.5235   13.291   2.0673 -2.729406 4.973454 
1 1 1    4   23    2 o   18.830   1.8124   50.352   9.2299   23.214   13.410   74.780   12.723   12.174   3.6973   22.873   2.0532 -10.69852 4.229111 
1 1 1    4   23    3 o   37.238   1.1781  192.216   12.013  158.782   24.721  202.553   13.746   32.849   2.7742   38.169   1.3151 -5.319138 3.070101 
1 1 1    4   23    4 o   22.150   1.6207   69.181   9.7620   38.363   18.545   80.993   11.481   15.192   4.2767   23.913   1.7659 -8.721063 4.626931 
1 1 1    4   23    5 o   28.147   1.4405  111.001   11.065   55.750   19.085  138.980   13.581   18.585   3.8755   31.430   1.5830 -12.84500 4.186357 
1 1 1    4   23    6 o   14.834   2.7162   33.290   10.627   31.434   19.084   34.124   12.794   13.611   4.4486   14.739   3.2566 -1.128789 5.513164 
1 1 1    4   23    7 o   29.866   1.5069  125.563   12.285   75.563   19.651  157.639   15.739   21.961   3.3756   33.331   1.7304 -11.36912 3.793314 
1 1 1    4   23    8 o   12.348   3.4309   24.667   12.017   11.646   32.969   26.662   12.905   11.664   5.1760   12.776   3.5573 -1.112113 6.280553 
1 1 1    4   23    9 o   27.188   1.7464  105.538   12.933   76.674   22.547  119.691   15.788   21.406   3.9934   28.767   2.0171 -7.360327 4.473869 
1 1 1    4   23   10 o   11.767   3.4450   22.712   11.810   32.858   29.074   20.707   12.925   13.317   5.3057   11.229   3.6605 2.087972 6.445941 
1 1 1    4   24    0 o   8.2944   5.1189   12.631   22.809   12.631   22.809   12.631   22.809   8.2944   5.1189   8.2944   5.1189 0.000000 0.000000 
1 1 1    4   24    1 o   10.128   3.6094   15.492   12.621   0.2345   21.734   23.254   15.503   9.2560   4.1485   11.878   4.0131 -2.621642 5.771873 
1 1 1    4   24    2 o   28.966   1.0859  116.555   8.6131   40.154   11.310  222.049   13.290   16.292   2.6242   39.908   1.2161 -23.61580 2.892270 
1 1 1    4   24    3 o   6.0250   2.6429  -0.6248   8.3642  -5.0198   15.022   1.3499   10.069   7.3545   3.3569   6.8849   2.9606 0.4696460 4.475903 
1 1 1    4   24    4 o   10.333   3.1134   16.844   9.5365   2.6545   19.771   21.147   10.887   9.1267   4.0312   11.459   3.2941 -2.331840 5.205893 
1 1 1    4   24    5 o   17.361   2.2504   44.589   10.447   40.968   21.605   45.693   11.935   14.884   4.7215   17.379   2.5867 -2.495012 5.383631 
1 1 1    4   24    6 o   9.8385   3.2334   15.150   10.077   40.333   18.834   5.0496   11.928   15.027   4.3364   7.9256   3.3053 7.101880 5.452477 
1 1 1    5    0    1 o   96.817   1.0193  1283.92   27.017  1283.92   27.017  1283.92   27.017   96.817   1.0193   96.817   1.0193 0.000000 0.000000 
1 1 1    5    0    2 o  105.588   1.6863  1527.90   48.729  1527.90   48.729  1527.90   48.729  105.588   1.6863  105.588   1.6863 0.000000 0.000000 
1 1 1    5    0    3 f  153.640   2.0165  3234.38   84.807  3234.38   84.807  3234.38   84.807  153.640   2.0165  153.640   2.0165 0.000000 0.000000 
1 1 1    5    0    4 o  325.566   3.7210 14527.78  331.637 14527.78  331.637 14527.78  331.637  325.566   3.7210  325.566   3.7210 0.000000 0.000000 
1 1 1    5    0    5 o   44.488   1.1730  271.566   14.268  271.566   14.268  271.566   14.268   44.488   1.1730   44.488   1.1730 0.000000 0.000000 
1 1 1    5    0    6 o  462.648   5.2658 29346.59  666.924 29346.59  666.924 29346.59  666.924  462.648   5.2658  462.648   5.2658 0.000000 0.000000 
1 1 1    5    0    7 o  340.330   3.8852 15872.55  361.970 15872.55  361.970 15872.55  361.970  340.330   3.8852  340.330   3.8852 0.000000 0.000000 
1 1 1    5    0    8 o  593.525   6.7591 48327.08  1098.21 48327.08  1098.21 48327.08  1098.21  593.525   6.7591  593.525   6.7591 0.000000 0.000000 
1 1 1    5    0    9 o   27.063   1.6812  101.447   12.349  101.447   12.349  101.447   12.349   27.063   1.6812   27.063   1.6812 0.000000 0.000000 
1 1 1    5    0   10 o  402.879   5.9349 22270.72  654.430 22270.72  654.430 22270.72  654.430  402.879   5.9349  402.879   5.9349 0.000000 0.000000 
1 1 1    5    0   11 o  163.259   2.1600  3652.07   96.527  3652.07   96.527  3652.07   96.527  163.259   2.1600  163.259   2.1600 0.000000 0.000000 
1 1 1    5    0   12 o  205.831   2.6718  5806.07  150.536  5806.07  150.536  5806.07  150.536  205.831   2.6718  205.831   2.6718 0.000000 0.000000 
1 1 1    5    0   13 o  136.345   1.8484  2547.48   68.985  2547.48   68.985  2547.48   68.985  136.345   1.8484  136.345   1.8484 0.000000 0.000000 
1 1 1    5    0   14 o  118.987   1.9224  1941.00   62.600  1941.00   62.600  1941.00   62.600  118.987   1.9224  118.987   1.9224 0.000000 0.000000 
1 1 1    5    0   15 o   39.111   1.6336  210.657   17.427  210.657   17.427  210.657   17.427   39.111   1.6336   39.111   1.6336 0.000000 0.000000 
1 1 1    5    0   16 f   25.958   1.9794   93.961   13.882   93.961   13.882   93.961   13.882   25.958   1.9794   25.958   1.9794 0.000000 0.000000 
1 1 1    5    0   17 o   5.4598   3.5498  -1.0089   12.755  -1.0089   12.755  -1.0089   12.755   5.4598   3.5498   5.4598   3.5498 0.000000 0.000000 
1 1 1    5    0   18 o  102.857   1.5176  1450.78   42.724  1450.78   42.724  1450.78   42.724  102.857   1.5176  102.857   1.5176 0.000000 0.000000 
1 1 1    5    0   19 o   32.024   1.8344  142.010   15.966  142.010   15.966  142.010   15.966   32.024   1.8344   32.024   1.8344 0.000000 0.000000 
1 1 1    5    0   20 o   47.739   1.6805  313.693   21.906  313.693   21.906  313.693   21.906   47.739   1.6805   47.739   1.6805 0.000000 0.000000 
1 1 1    5    0   21 o  139.727   2.2571  2684.60   86.311  2684.60   86.311  2684.60   86.311  139.727   2.2571  139.727   2.2571 0.000000 0.000000 
1 1 1    5    0   22 o   83.445   1.5037  956.087   34.335  956.087   34.335  956.087   34.335   83.445   1.5037   83.445   1.5037 0.000000 0.000000 
1 1 1    5    0   23 o   75.318   1.4993  779.358   30.895  779.358   30.895  779.358   30.895   75.318   1.4993   75.318   1.4993 0.000000 0.000000 
1 1 1    5    0   24 o   8.8914   5.0783   14.706   19.446   14.706   19.446   14.706   19.446   8.8914   5.0783   8.8914   5.0783 0.000000 0.000000 
1 1 1    5    0   25 o   31.115   3.4537  140.235   28.500  140.235   28.500  140.235   28.500   31.115   3.4537   31.115   3.4537 0.000000 0.000000 
1 1 1    5    0   26 o   13.623   5.3407   36.899   19.077   36.899   19.077   36.899   19.077   13.623   5.3407   13.623   5.3407 0.000000 0.000000 
1 1 1    5    0   27 o   5.5119   3.7624  -8.3240   17.688  -8.3240   17.688  -8.3240   17.688   5.5119   3.7624   5.5119   3.7624 0.000000 0.000000 
1 1 1    5    0   28 o   11.682   5.0522   29.883   16.653   29.883   16.653   29.883   16.653   11.682   5.0522   11.682   5.0522 0.000000 0.000000 
1 1 1    5    1    0 o  225.503   2.9061  6969.64  179.385  6969.64  179.385  6969.64  179.385  225.503   2.9061  225.503   2.9061 0.000000 0.000000 
1 1 1    5    1    1 o  162.412   1.7319  3612.90   77.023  3665.08  110.385  3563.39  107.524  163.549   2.4647  161.266   2.4349 2.283310 3.464607 
1 1 1    5    1    2 o   99.385   1.1479  1352.60   31.240  1382.26   44.788  1324.49   43.596  100.461   1.6281   98.339   1.6189 2.121597 2.295999 
1 1 1    5    1    3 o  136.501   1.3676  2551.65   51.118  2526.46   66.969  2586.82   79.127  135.816   1.8007  137.420   2.1027 -1.603943 2.768368 
1 1 1    5    1    4 f  132.717   1.1223  2411.92   40.788  2416.69   57.941  2407.24   57.428  132.840   1.5928  132.580   1.5818 0.2599182 2.244813 
1 1 1    5    1    5 o  166.920   1.4580  3815.49   66.643  3906.54  102.709  3749.28   87.583  168.881   2.2210  165.454   1.9331 3.426224 2.944400 
1 1 1    5    1    6 o  302.355   2.4435 12522.11  202.310 12624.56  288.629 12423.15  283.655  303.525   3.4726  301.096   3.4403 2.428558 4.888218 
1 1 1    5    1    7 o  379.624   3.0577 19744.06  317.864 19764.83  449.950 19723.37  449.107  379.705   4.3274  379.307   4.3238 0.3981628 6.117362 
1 1 1    5    1    8 o  208.493   1.7980  5953.07  102.655  5937.04  153.266  5966.10  138.245  208.183   2.6885  208.702   2.4190 -0.5188599 3.616558 
1 1 1    5    1    9 o  112.377   1.1808  1729.25   36.338  1687.59   47.000  1791.16   57.294  111.010   1.5461  114.362   1.8295 -3.351585 2.395347 
1 1 1    5    1   10 o  201.296   2.1326  5550.06  117.555  5667.07  169.723  5442.17  162.978  203.366   3.0477  199.293   2.9864 4.072952 4.266980 
1 1 1    5    1   11 o  175.319   1.7362  4209.66   83.353  4219.20  127.609  4202.56  110.081  175.483   2.6556  175.152   2.2951 0.3311310 3.509926 
1 1 1    5    1   12 f  198.959   1.9542  5422.33  106.471  5443.13  141.437  5395.11  161.745  199.306   2.5915  198.399   2.9771 0.9066315 3.947068 
1 1 1    5    1   13 o   39.166   1.0556  210.072   11.321  227.346   16.073  193.061   15.950   40.741   1.4407   37.542   1.5515 3.198608 2.117234 
1 1 1    5    1   14 o  201.061   2.1369  5542.23  117.650  5564.60  167.035  5520.21  165.738  201.332   3.0297  200.529   3.0182 0.8026581 4.276571 
1 1 1    5    1   15 o  185.669   1.7201  4726.23   87.455  4736.83  123.962  4715.73  123.400  185.753   2.4370  185.340   2.4314 0.4130402 3.442496 
1 1 1    5    1   16 o   77.623   0.9804  825.450   20.839  832.009   27.795  817.030   31.491   77.913   1.3028   77.196   1.4897 0.7167664 1.978987 
1 1 1    5    1   17 o   72.929   0.9626  728.671   19.223  742.572   25.875  711.551   28.716   73.603   1.2838   72.038   1.4557 1.565239 1.940938 
1 1 1    5    1   18 o   81.349   0.9534  906.715   21.237  933.865   30.558  881.350   29.537   82.528   1.3522   80.175   1.3453 2.353409 1.907442 
1 1 1    5    1   19 o   60.337   1.0002  498.925   16.525  483.647   24.558  511.567   22.339   59.371   1.5105   61.074   1.3357 -1.703838 2.016389 
1 1 1    5    1   20 o   30.216   1.4758  125.324   12.212  116.417   16.330  136.624   18.393   29.015   2.0688   31.433   2.1498 -2.417463 2.983581 
1 1 1    5    1   21 o   80.042   1.0997  878.662   24.103  884.512   36.962  874.334   31.792   80.218   1.6826   79.795   1.4550 0.4235764 2.224460 
1 1 1    5    1   22 o   71.470   1.1961  701.040   23.409  677.429   32.730  725.765   33.494   70.170   1.7033   72.634   1.6840 -2.464211 2.395223 
1 1 1    5    1   23 f   18.493   2.9307   48.735   14.346   73.847   21.954   30.019   18.953   22.658   3.6635   14.461   4.3962 8.196871 5.722591 
1 1 1    5    1   24 f   25.614   2.1548   91.539   14.973   94.722   22.349   88.946   20.169   25.765   3.2393   25.027   3.0029 0.7376652 4.417084 
1 1 1    5    1   25 f   28.717   1.9383  115.055   15.153  117.571   19.790  111.492   23.557   28.844   2.5312   27.850   3.1440 0.9943008 4.036281 
1 1 1    5    1   26 o   20.476   2.6277   60.676   14.394   63.377   21.561   58.504   19.333   20.254   4.0293   19.590   3.7403 0.6639328 5.497705 
1 1 1    5    1   27 o   20.354   2.3927   60.466   13.082   47.888   18.660   72.623   18.344   17.144   4.0409   21.864   3.1554 -4.719990 5.126916 
1 1 1    5    1   28 o   15.351   2.9540   36.685   11.966   36.554   16.705   36.822   17.149   14.605   4.0405   14.609   4.1126 -0.3982544E-02 5.765307 
1 1 1    5    2    0 o   7.9193   3.2414   12.006   6.9297   12.006   6.9297   12.006   6.9297   7.9193   3.2414   7.9193   3.2414 0.000000 0.000000 
1 1 1    5    2    1 o   43.623   0.9345  260.573   11.164  257.199   15.655  264.065   15.923   43.337   1.3192   43.912   1.3242 -0.5745697 1.869199 
1 1 1    5    2    2 o   81.591   0.9543  911.568   21.321  894.561   29.742  929.549   30.582   80.823   1.3438   82.388   1.3555 -1.565254 1.908760 
1 1 1    5    2    3 o  102.350   1.5593  1434.62   43.701  1137.07   48.999  2591.69   96.625   91.113   1.9639  137.537   2.5655 -46.42400 3.230936 
1 1 1    5    2    4 o  163.726   1.7754  3671.27   79.597  4352.27  113.930  3021.93  111.251  178.248   2.3341  148.515   2.7355 29.73303 3.596026 
1 1 1    5    2    5 o  280.187   2.5480 10753.98  195.492 11756.90  302.224 10032.46  256.342  292.875   3.7684  270.568   3.4598 22.30701 5.115782 
1 1 1    5    2    6 o  205.330   1.8801  5773.92  105.710  6088.75  181.213  5611.52  130.148  210.808   3.1392  202.408   2.3481 8.400040 3.920194 
1 1 1    5    2    7 o  201.172   1.8430  5542.33  101.530  5567.33  144.239  5517.79  142.939  201.602   2.6128  200.703   2.6008 0.8984375 3.686552 
1 1 1    5    2    8 o  118.590   1.0947  1925.71   35.550  1964.07   53.626  1895.63   47.482  119.759   1.6352  117.656   1.4738 2.102997 2.201348 
1 1 1    5    2    9 o  136.949   1.2304  2568.18   46.141  2554.17   68.467  2579.84   62.454  136.564   1.8308  137.252   1.6617 -0.6878967 2.472489 
1 1 1    5    2   10 o   86.858   1.2063  1033.07   28.691  1073.32   47.154  1009.41   36.153   88.525   1.9452   85.854   1.5378 2.670616 2.479627 
1 1 1    5    2   11 o  184.435   1.7027  4658.82   85.994  4686.29  122.398  4632.05  120.845  184.950   2.4167  183.878   2.4000 1.072800 3.405973 
1 1 1    5    2   12 o   92.332   0.9893  1167.39   25.014  1199.61   36.097  1137.62   34.695   93.591   1.4085   91.141   1.3901 2.449913 1.978958 
1 1 1    5    2   13 o   84.788   1.0135  984.507   23.531  985.753   31.261  982.879   35.743   84.835   1.3457   84.707   1.5409 0.1284485 2.045809 
1 1 1    5    2   14 o   47.810   1.5252  313.183   19.968  313.183   19.968   0.0000   0.0000   47.810   1.5252  ?   ?  0.000000 1.525210 
1 1 1    5    2   15 o   57.007   0.8803  445.113   13.741  438.047   19.180  452.564   19.697   56.542   1.2388   57.471   1.2516 -0.9288368 1.760951 
1 1 1    5    2   16 o   50.631   0.9732  351.190   13.493  347.603   20.389  353.984   17.997   50.352   1.4788   50.820   1.2932 -0.4681740 1.964456 
1 1 1    5    2   17 o   20.403   1.7392   57.527   9.6242   65.205   13.480   49.543   13.745   21.662   2.3080   18.777   2.7551 2.884672 3.594129 
1 1 1    5    2   18 o   55.675   1.0008  424.747   15.258  451.104   20.684  393.284   22.600   57.360   1.3169   53.544   1.5413 3.815693 2.027280 
1 1 1    5    2   19 o  115.776   1.4830  1839.13   47.017  1752.91   99.826  1863.70   53.299  112.586   3.2379  116.515   1.6705 -3.928795 3.643470 
1 1 1    5    2   20 o   23.098   1.7963   73.760   11.272   81.736   16.018   65.934   15.866   24.227   2.4480   21.683   2.7329 2.544096 3.668979 
1 1 1    5    2   21 o   90.154   1.1365  1114.85   28.058  1145.34   43.758  1093.56   36.564   91.264   1.7509   89.229   1.4964 2.035141 2.303289 
1 1 1    5    2   22 o   51.147   1.1268  358.944   15.782  358.845   22.268  359.043   22.369   51.085   1.5919   51.098   1.5986 -0.1313019E-01 2.256022 
1 1 1    5    2   23 o   16.181   3.3008   37.903   14.130   36.682   21.343   38.855   18.853   15.850   4.6284   16.255   4.2040 -0.4045305 6.252655 
1 1 1    5    2   24 o   46.978   1.2551  303.457   16.146  312.732   23.013  294.466   22.658   47.592   1.7659   46.175   1.7919 1.416515 2.515802 
1 1 1    5    2   25 o   9.0867   3.6905   5.8266   14.357   12.092   18.728  -3.1041   22.360   10.961   4.2922   9.7649   4.3013 1.195980 6.076524 
1 1 1    5    2   26 o   28.704   1.8243  115.622   14.265  117.288   20.312  114.002   20.038   28.544   2.6282   28.137   2.6312 0.4072590 3.718925 
1 1 1    5    2   27 o   44.264   1.6053  275.023   19.458  275.072   32.189  274.995   24.426   43.202   2.7350   43.939   2.0300 -0.7374077 3.406069 
1 1 1    5    2   28 f   10.220   3.7595   15.728   13.831   20.871   16.761   4.7536   24.484   11.370   4.1453   10.030   4.4552 1.340652 6.085434 
1 1 1    5    3    0 o  177.106   2.6609  4299.11  128.982  4299.11  128.982  4299.11  128.982  177.106   2.6609  177.106   2.6609 0.000000 0.000000 
1 1 1    5    3    1 o  305.083   2.6073 12752.49  217.824 13540.02  310.255 11986.95  305.892  314.264   3.6052  295.673   3.7780 18.59119 5.222198 
1 1 1    5    3    2 o  328.878   2.3298 14816.83  209.818 14746.92  307.245 14877.93  287.220  328.003   3.4207  329.482   3.1834 -1.478455 4.672842 
1 1 1    5    3    3 o  283.914   2.0949 11040.74  162.873 10972.02  228.832 11111.29  231.871  282.975   2.9531  284.764   2.9735 -1.788818 4.190789 
1 1 1    5    3    4 o  116.461   1.0062  1857.19   32.088  1826.27   44.975  1889.24   45.794  115.483   1.4222  117.457   1.4238 -1.973984 2.012401 
1 1 1    5    3    5 o  310.949   2.3940 13243.78  203.848 13245.66  276.199 13241.52  302.109  310.919   3.2440  310.848   3.5492 0.7116699E-01 4.808369 
1 1 1    5    3    6 o  197.355   1.8110  5333.94   97.870  5636.92  146.489  5089.67  131.535  202.857   2.6371  192.764   2.4919 10.09349 3.628179 
1 1 1    5    3    7 o  105.187   1.0526  1515.03   30.320  1565.58   50.295  1486.17   38.002  106.921   1.7178  104.178   1.3321 2.742775 2.173772 
1 1 1    5    3    8 f  158.129   1.3925  3424.08   60.297  3508.05   92.046  3360.96   79.805  160.041   2.1003  156.655   1.8603 3.385559 2.805744 
1 1 1    5    3    9 o  360.177   3.2484 17777.05  320.388 17906.66  456.065 17650.76  450.187  361.332   4.6093  358.744   4.5827 2.587646 6.499704 
1 1 1    5    3   10 o   47.913   1.1659  314.349   15.297  321.725   24.876  309.864   19.398   48.467   1.8743   47.568   1.4892 0.8990707 2.393910 
1 1 1    5    3   11 o   96.933   1.0130  1286.62   26.889  1312.78   38.718  1262.25   37.370   97.908   1.4441   96.005   1.4215 1.902710 2.026363 
1 1 1    5    3   12 o  187.549   1.7315  4818.13   88.926  4772.37  124.525  4865.74  127.033  186.617   2.4368  188.432   2.4619 -1.815018 3.463949 
1 1 1    5    3   13 o  245.726   2.3941  8277.85  161.097  8348.29  214.939  8187.55  243.348  246.649   3.1823  244.178   3.6394 2.470947 4.834534 
1 1 1    5    3   14 o   60.617   0.9483  503.244   15.742  487.276   20.425  526.603   24.704   59.640   1.2507   61.995   1.4552 -2.354141 1.918799 
1 1 1    5    3   15 o  135.861   1.3947  2529.78   51.887  2600.10   81.312  2481.48   67.391  137.641   2.1573  134.510   1.8296 3.131546 2.828705 
1 1 1    5    3   16 o   40.673   1.0575  226.657   11.778  234.925   18.148  220.640   15.481   41.389   1.6012   40.118   1.4092 1.270706 2.133024 
1 1 1    5    3   17 o   47.561   0.9308  309.900   12.122  307.366   17.084  312.469   17.204   47.352   1.3175   47.743   1.3159 -0.3915138 1.862095 
1 1 1    5    3   18 o  105.419   1.1734  1523.30   33.872  1527.28   44.970  1518.07   51.493  105.511   1.5565  105.159   1.7882 0.3519745 2.370701 
1 1 1    5    3   19 o   50.986   1.0593  356.319   14.789  380.043   23.535  340.838   19.011   52.615   1.6335   49.845   1.3928 2.769688 2.146668 
1 1 1    5    3   20 o   46.421   1.0621  295.447   13.501  300.179   19.273  290.889   18.918   46.759   1.5052   46.030   1.5009 0.7288780 2.125650 
1 1 1    5    3   21 f   35.495   1.6982  173.230   16.507  200.996   23.023  143.861   23.679   38.116   2.2153   32.132   2.7166 5.984009 3.505362 
1 1 1    5    3   22 o   29.196   1.6935  117.680   13.481  117.313   18.935  118.057   19.198   29.030   2.4035   29.117   2.4299 -0.8737183E-01 3.417829 
1 1 1    5    3   23 o   35.214   1.4892  170.569   14.360  170.629   20.586  170.513   20.042   35.067   2.1542   35.067   2.0967 -0.1258850E-03 3.006110 
1 1 1    5    3   24 o   22.576   2.2964   71.524   13.999   45.624   19.754   97.654   19.842   17.495   4.1805   26.277   2.8006 -8.781603 5.031880 
1 1 1    5    3   25 o   54.306   1.3184  406.789   19.606  412.741   33.453  403.675   24.198   54.320   2.2490   53.990   1.6367 0.3300743 2.781522 
1 1 1    5    3   26 o   20.684   2.4485   61.695   13.599   69.072   19.355   54.501   19.113   21.427   3.4132   18.761   3.8493 2.665405 5.144631 
1 1 1    5    3   27 o   18.790   2.7765   52.991   13.856   58.696   22.303   49.405   17.681   18.615   4.4380   17.494   3.7997 1.120909 5.842402 
1 1 1    5    3   28 o   11.645   3.6209   22.346   12.770   21.377   16.822   23.663   19.618   11.439   4.1555   11.918   4.4595 -0.4796104 6.095542 
1 1 1    5    4    0 o  240.472   2.3346  7921.62  153.699  7921.62  153.699  7921.62  153.699  240.472   2.3346  240.472   2.3346 0.000000 0.000000 
1 1 1    5    4    1 o  291.673   2.2525 11652.98  179.909 11125.28  254.634 12178.98  254.227  284.925   3.2636  298.125   3.1141 -13.19977 4.510952 
1 1 1    5    4    2 o  283.938   2.3012 11043.10  178.926 11753.41  269.202 10480.99  239.476  292.857   3.3569  276.565   3.1621 16.29221 4.611663 
1 1 1    5    4    3 o  221.359   1.6456  6710.32   99.752  6771.67  142.592  6651.52  139.597  222.346   2.3419  220.365   2.3134 1.980225 3.291864 
1 1 1    5    4    4 o  255.818   2.1859  8963.29  153.128  8954.98  205.398  8973.68  229.754  255.666   2.9338  255.913   3.2785 -0.2476959 4.399563 
1 1 1    5    4    5 o   24.783   1.3431   84.355   9.0813  103.346   14.682   72.588   11.557   27.399   1.9700   22.948   1.8550 4.451838 2.705953 
1 1 1    5    4    6 o  125.477   1.0841  2155.85   37.249  2157.93   52.819  2153.79   52.538  125.532   1.5366  125.412   1.5298 0.1202011 2.168271 
1 1 1    5    4    7 o  199.740   1.7262  5463.63   94.414  5515.91  142.536  5422.76  126.025  200.666   2.5940  198.974   2.3130 1.691620 3.475412 
1 1 1    5    4    8 o  251.273   2.4384  8648.82  167.777  8800.34  260.927  8542.01  219.070  253.383   3.7606  249.674   3.2042 3.708389 4.940518 
1 1 1    5    4    9 o  221.899   2.0283  6744.14  123.248  6598.06  196.248  6839.28  158.376  219.420   3.2662  223.434   2.5885 -4.013412 4.167527 
1 1 1    5    4   10 o  159.406   1.7208  3480.15   75.114  3571.70  108.995  3397.33  103.661  161.465   2.4651  157.477   2.4039 3.988251 3.443160 
1 1 1    5    4   12 o  137.635   1.3133  2594.44   49.496  2611.03   70.363  2578.18   69.640  138.054   1.8613  137.183   1.8538 0.8708496 2.626960 
1 1 1    5    4   13 o  140.580   1.4291  2707.34   55.014  2719.93   73.170  2690.96   83.439  140.878   1.8967  140.105   2.1748 0.7732849 2.885726 
1 1 1    5    4   14 o   41.901   1.0431  240.486   11.968  254.359   15.854  222.106   18.248   43.086   1.3437   40.254   1.6554 2.831795 2.132147 
1 1 1    5    4   15 o   28.016   1.2565  107.564   9.6393  107.177   13.754  107.938   13.513   27.894   1.8105   27.997   1.7717 -0.1028938 2.533166 
1 1 1    5    4   16 o   49.785   0.9018  339.533   12.294  364.222   17.771  316.872   17.026   51.550   1.2589   48.081   1.2931 3.468853 1.804730 
1 1 1    5    4   17 o   69.992   0.9596  671.188   18.393  697.061   28.838  653.448   23.880   71.295   1.4772   69.043   1.2630 2.251480 1.943519 
1 1 1    5    4   18 o   31.723   1.4121  138.023   12.267  143.895   16.960  131.583   17.764   32.310   1.9257   30.870   2.1142 1.440414 2.859704 
1 1 1    5    4   19 o   61.357   1.0204  516.017   17.144  523.705   26.584  510.543   22.433   61.766   1.5717   61.006   1.3428 0.7598343 2.067249 
1 1 1    5    4   20 o   16.379   2.5748   37.911   11.167   39.670   15.808   36.159   15.777   16.578   3.5864   15.804   3.7092 0.7735004 5.159466 
1 1 1    5    4   21 o  112.487   1.4964  1738.38   46.093  1759.42   60.543  1709.38   71.089  113.029   1.9561  111.274   2.3330 1.755257 3.044559 
1 1 1    5    4   22 o   40.553   1.5214  226.109   16.896  237.904   23.926  214.378   23.862   41.465   2.1142   39.333   2.2245 2.131489 3.068935 
1 1 1    5    4   23 o   36.768   1.4660  185.979   14.761  161.118   20.541  212.526   21.226   34.049   2.2151   39.178   1.9849 -5.129036 2.974315 
1 1 1    5    4   24 f   91.964   1.1920  1163.00   30.019  1147.95   45.583  1174.53   39.891   91.101   1.8272   92.268   1.5788 -1.166794 2.414820 
1 1 1    5    4   25 o   31.714   1.7198  139.995   14.879  152.030   22.296  130.332   19.979   32.759   2.5045   30.351   2.4240 2.408209 3.485440 
1 1 1    5    4   26 o   32.251   1.6113  145.152   14.230  150.471   20.249  139.964   20.000   32.452   2.2934   31.259   2.3539 1.193365 3.286405 
1 1 1    5    4   27 o   10.415   4.0364   14.611   16.432   1.9675   21.474   32.472   25.523   9.4955   4.1972   13.704   5.0947 -4.208694 6.600969 
1 1 1    5    4   28 o   34.833   1.4906  171.154   14.218  173.121   18.779  168.513   21.764   34.588   1.9911   33.750   2.3700 0.8384056 3.095353 
1 1 1    5    5    0 o  128.441   1.7144  2260.18   60.274  2260.18   60.274  2260.18   60.274  128.441   1.7144  128.441   1.7144 0.000000 0.000000 
1 1 1    5    5    1 o  262.331   1.8651  9424.64  133.977  9597.64  201.029  9286.39  179.703  264.688   2.7735  260.373   2.5204 4.314850 3.747665 
1 1 1    5    5    2 o  394.916   3.0374 21367.12  328.475 21155.02  482.112 21550.88  448.749  392.803   4.4821  396.502   4.1330 -3.699371 6.096832 
1 1 1    5    5    3 o  268.112   2.1771  9845.35  159.842 10226.57  234.970  9516.98  218.075  273.206   3.1407  263.564   3.0216 9.642242 4.358219 
1 1 1    5    5    4 o  210.428   1.7188  6063.91   99.044  6117.56  141.583  6012.49  138.604  211.336   2.4465  209.514   2.4159 1.821655 3.438297 
1 1 1    5    5    5 o   62.068   0.7808  527.492   13.271  558.682   19.568  500.927   18.060   63.875   1.1187   60.484   1.0904 3.391514 1.562223 
1 1 1    5    5    6 o  258.728   2.1044  9168.19  149.094  9260.15  213.148  9080.10  208.626  259.979   2.9940  257.441   2.9594 2.537933 4.209750 
1 1 1    5    5    7 o  388.127   3.2966 20643.24  350.372 20669.55  526.516 20622.33  469.392  388.166   4.9534  387.798   4.4202 0.3675842 6.638852 
1 1 1    5    5    8 o  144.656   1.4593  2865.57   57.805  2835.66  106.207  2878.17   68.905  143.868   2.6959  144.969   1.7357 -1.100082 3.206315 
1 1 1    5    5    9 o  210.446   1.8181  6065.56  104.773  6105.45  157.771  6034.10  140.134  211.096   2.7293  209.874   2.4384 1.222672 3.659891 
1 1 1    5    5   10 o  167.148   1.7946  3826.63   82.141  3869.09  117.470  3786.01  114.903  168.042   2.5528  166.229   2.5243 1.812561 3.590084 
1 1 1    5    5   11 o  183.466   1.6097  4610.35   80.871  4686.75  122.375  4551.10  107.753  184.937   2.4165  182.257   2.1590 2.680618 3.240463 
1 1 1    5    5   12 o   66.989   0.8609  614.520   15.792  625.851   22.686  603.865   21.998   67.598   1.2255   66.401   1.2098 1.197685 1.722080 
1 1 1    5    5   13 o  183.991   1.8187  4639.93   91.630  4662.63  140.508  4623.13  120.868  184.310   2.7839  183.586   2.4043 0.7248688 3.678437 
1 1 1    5    5   14 o   51.156   1.0058  358.479   14.089  377.137   17.480  323.872   23.806   52.465   1.2167   48.599   1.7888 3.865799 2.163374 
1 1 1    5    5   15 o  144.250   1.3720  2852.28   54.196  2869.20   77.020  2835.68   76.274  144.592   1.9452  143.747   1.9377 0.8457794 2.745646 
1 1 1    5    5   16 f  113.456   1.1343  1763.96   35.241  1794.16   50.520  1735.34   49.184  114.372   1.6131  112.483   1.5968 1.888618 2.269732 
1 1 1    5    5   17 o   80.832   1.0078  895.303   22.306  899.869   34.211  891.926   29.420   80.995   1.5425   80.656   1.3320 0.3392792 2.038035 
1 1 1    5    5   18 o  120.433   1.3957  1989.42   46.028  1983.14   65.051  1995.73   65.136  120.134   1.9774  120.516   1.9737 -0.3815765 2.793879 
1 1 1    5    5   19 o   56.054   1.0355  430.726   15.895  446.807   24.876  419.631   20.662   57.045   1.5925   55.303   1.3644 1.741177 2.097062 
1 1 1    5    5   20 o   24.356   1.7981   82.016   11.908   95.306   16.918   68.968   16.763   26.177   2.3863   22.151   2.8281 4.026140 3.700355 
1 1 1    5    5   21 o   47.224   1.1464  305.996   14.824  320.268   21.087  292.050   20.845   48.265   1.5955   46.083   1.6518 2.182102 2.296543 
1 1 1    5    5   22 o   11.627   3.7814   18.468   13.796   24.582   17.704   9.0142   22.014   13.301   4.2798   11.352   4.5841 1.948310 6.271430 
1 1 1    5    5   23 f   28.499   1.8112  112.520   14.061  111.593   19.515  113.521   20.277   28.219   2.5531   28.444   2.6332 -0.2242527 3.667736 
1 1 1    5    5   24 o   63.263   1.1782  550.587   20.410  561.879   30.994  541.940   27.121   63.716   1.7764   62.645   1.5810 1.070759 2.378051 
1 1 1    5    5   25 o   27.343   1.8354  104.618   13.662   76.916   18.674  136.522   20.041   22.979   3.0425   31.037   2.3761 -8.057476 3.860426 
1 1 1    5    5   26 o   13.416   3.6687   28.312   13.866   27.209   20.813   29.192   18.593   13.177   4.6415   13.494   4.3899 -0.3171425 6.388680 
1 1 1    5    5   27 o   11.966   3.6193   23.198   12.870   37.269   17.128   4.9521   19.504   14.839   4.0856   9.4413   4.0900 5.398123 5.781040 
1 1 1    5    5   28 o   15.244   3.3459   37.822   13.584   36.632   17.039   39.897   22.503   14.424   4.1130   14.464   4.8352 -0.3997326E-01 6.347951 
1 1 1    5    6    0 o  126.653   1.7379  2197.74   60.249  2197.74   60.249  2197.74   60.249  126.653   1.7379  126.653   1.7379 0.000000 0.000000 
1 1 1    5    6    1 o  136.003   1.2998  2532.81   48.407  2465.11   67.281  2605.46   69.697  134.165   1.8313  137.931   1.8453 -3.766113 2.599767 
1 1 1    5    6    2 o  161.943   1.4150  3591.23   62.750  3621.26   95.484  3568.41   83.253  162.605   2.1444  161.419   1.8835 1.185211 2.854099 
1 1 1    5    6    3 o  173.646   1.4325  4129.04   68.118  4225.91   98.916  4041.67   93.942  175.658   2.0564  171.788   1.9970 3.870544 2.866505 
1 1 1    5    6    4 o  177.119   1.5508  4295.97   75.217  4155.61  109.830  4419.96  103.223  174.183   2.3026  179.644   2.0983 -5.460403 3.115317 
1 1 1    5    6    5 o   58.621   0.9007  470.529   14.458  513.065   27.844  454.826   16.918   61.208   1.6612   57.633   1.0720 3.575054 1.977083 
1 1 1    5    6    6 o  110.481   1.0938  1671.39   33.093  1823.12   51.425  1564.15   43.234  115.381   1.6276  106.874   1.4773 8.506546 2.198068 
1 1 1    5    6    7 f  214.036   1.9530  6274.41  114.467  6251.15  161.352  6297.98  162.415  213.605   2.7585  214.403   2.7663 -0.7982483 3.906649 
1 1 1    5    6    8 o   47.710   0.9743  311.680   12.728  317.559   22.950  309.069   15.297   48.153   1.7405   47.508   1.1758 0.6445236 2.100450 
1 1 1    5    6    9 o  107.674   1.0933  1587.59   32.235  1606.56   52.194  1575.88   40.985  108.304   1.7599  107.272   1.3952 1.032349 2.245872 
1 1 1    5    6   10 o   90.672   1.1254  1125.83   27.944  1113.23   39.279  1138.75   39.762   90.155   1.5911   91.183   1.5924 -1.027451 2.251069 
1 1 1    5    6   11 o  146.188   1.3138  2927.00   52.592  2945.09   78.495  2912.27   70.845  146.610   1.9552  145.800   1.7744 0.8098145 2.640345 
1 1 1    5    6   12 o   80.830   0.9474  894.777   20.970  944.490   29.766  845.794   29.547   83.036   1.3091   78.576   1.3732 4.460060 1.897214 
1 1 1    5    6   13 o   87.417   0.9785  1046.69   23.423  1025.93   36.265  1061.55   30.681   86.521   1.5307   88.023   1.2729 -1.502342 1.990763 
1 1 1    5    6   14 o   32.771   1.3058  147.179   11.718  159.784   16.737  135.061   16.410   34.083   1.7997   31.316   1.9229 2.766844 2.633729 
1 1 1    5    6   15 o   85.413   0.9481  999.455   22.175  1017.77   31.711  981.931   31.020   86.167   1.3439   84.637   1.3384 1.530258 1.896726 
1 1 1    5    6   16 o   35.938   1.0476  176.973   10.310  174.156   14.407  179.930   14.759   35.637   1.4764   36.222   1.4880 -0.5854416 2.096149 
1 1 1    5    6   17 o   40.024   1.0688  219.537   11.714  214.323   17.158  224.089   16.032   39.523   1.5853   40.421   1.4485 -0.8973846 2.147412 
1 1 1    5    6   18 o   39.517   1.0877  214.064   11.771  222.807   16.592  205.206   16.701   40.294   1.5037   38.666   1.5773 1.628677 2.179252 
1 1 1    5    6   19 o   48.615   1.0969  324.067   14.602  317.257   22.471  329.044   19.211   48.052   1.7077   48.962   1.4328 -0.9099464 2.229211 
1 1 1    5    6   20 o   10.708   3.7345   14.374   13.455   18.505   16.523   6.2427   23.182   12.007   4.1411   11.277   4.6470 0.7305136 6.224459 
1 1 1    5    6   21 o   71.964   1.0169  710.321   20.039  727.643   28.599  693.613   28.087   72.773   1.4351   71.049   1.4437 1.723564 2.035616 
1 1 1    5    6   22 o   25.558   2.1460   90.887   14.880   78.869   17.808  118.685   27.083   23.655   2.8038   28.892   3.4943 -5.236778 4.480103 
1 1 1    5    6   23 o   26.966   1.8565  100.939   13.625  118.535   19.216   83.148   19.322   29.097   2.4340   24.189   2.9800 4.908216 3.847731 
1 1 1    5    6   24 o   32.694   1.7607  148.532   15.705  141.749   21.317  156.584   23.226   31.710   2.4745   33.301   2.5669 -1.591082 3.565394 
1 1 1    5    6   25 o   17.764   2.7334   46.050   12.870   36.592   18.064   55.801   18.342   15.284   4.1906   19.188   3.6237 -3.903114 5.540073 
1 1 1    5    6   26 o   13.861   3.5460   30.399   13.514   38.802   20.287   23.695   18.120   15.179   4.5336   12.320   4.3317 2.858575 6.270381 
1 1 1    5    6   27 o   9.5577   3.4532   13.353   11.593   10.623   16.310   16.142   16.483   9.6394   3.9263   10.556   4.0559 -0.9162302 5.645005 
1 1 1    5    7    0 o  493.954   5.6343 33457.18  761.888 33457.18  761.888 33457.18  761.888  493.954   5.6343  493.954   5.6343 0.000000 0.000000 
1 1 1    5    7    1 o  231.381   2.3245  7333.04  147.283 10067.53  260.589  6049.51  178.534  271.045   3.5110  210.127   3.1028 60.91797 4.685508 
1 1 1    5    7    2 o  229.872   1.9745  7236.92  124.292  7143.74  164.869  7359.60  189.177  228.361   2.6365  231.769   2.9807 -3.407944 3.979430 
1 1 1    5    7    3 o  197.428   1.9459  5338.27  105.202  5832.71  135.697  4593.38  166.557  206.353   2.4014  183.086   3.3221 23.26701 4.099211 
1 1 1    5    7    4 f   39.303   1.5551  211.545   16.737  173.514   22.085  262.855   25.653   35.518   2.2828   43.808   2.1384 -8.289314 3.127918 
1 1 1    5    7    5 o   84.280   0.9336  972.613   21.546  972.717   30.915  972.514   30.044   84.281   1.3395   84.273   1.3019 0.8460999E-02 1.867959 
1 1 1    5    7    6 o  121.440   1.1250  2019.45   37.413  2006.42   56.405  2029.69   49.993  121.039   1.7018  121.743   1.4996 -0.7033997 2.268224 
1 1 1    5    7    7 o  143.484   1.2943  2819.25   50.853  2821.52   76.880  2817.48   67.805  143.527   1.9561  143.430   1.7264 0.9712219E-01 2.608959 
1 1 1    5    7    8 o  192.064   1.7649  5052.40   92.822  5098.33  132.552  5008.21  130.025  192.901   2.5094  191.190   2.4835 1.711105 3.530553 
1 1 1    5    7    9 o  305.205   2.6047 12765.11  217.692 12553.33  320.550 12946.39  296.573  302.502   3.8697  307.252   3.5249 -4.750031 5.234453 
1 1 1    5    7   10 o  218.121   2.8211  6523.42  168.505  6533.73  338.395  6520.02  194.308  217.822   5.6733  218.013   3.2548 -0.1913910 6.540597 
1 1 1    5    7   11 o   50.562   0.9704  350.116   13.436  357.687   20.646  344.554   17.697   51.098   1.4755   50.154   1.2886 0.9435463 1.958958 
1 1 1    5    7   12 o   77.153   0.8716  815.244   18.415  851.933   27.330  784.735   24.922   78.858   1.2656   75.686   1.2025 3.171715 1.745773 
1 1 1    5    7   13 o   67.981   0.9181  633.036   17.091  670.183   26.938  608.007   22.112   69.927   1.4068   66.613   1.2122 3.313980 1.857031 
1 1 1    5    7   14 o   54.811   0.9123  411.547   13.693  414.953   18.062  406.942   20.999   55.027   1.1987   54.484   1.4074 0.5430336 1.848724 
1 1 1    5    7   15 o   86.050   0.9886  1014.49   23.296  1038.36   32.061  987.797   33.907   87.032   1.3453   84.877   1.4589 2.154747 1.984445 
1 1 1    5    7   16 o  102.823   1.1405  1449.05   32.113  1457.07   42.595  1438.50   48.880  103.068   1.5092  102.379   1.7435 0.6892014 2.305990 
1 1 1    5    7   17 o   41.170   1.0382  232.298   11.704  237.098   16.225  227.091   16.900   41.575   1.4252   40.683   1.5170 0.8918076 2.081457 
1 1 1    5    7   18 o   56.888   1.0112  443.593   15.752  461.230   24.058  430.361   20.839   57.967   1.5156   56.007   1.3588 1.959515 2.035547 
1 1 1    5    7   19 o   63.814   1.0510  558.371   18.366  591.150   29.002  536.425   23.731   65.596   1.6146   62.514   1.3863 3.082104 2.128054 
1 1 1    5    7   20 o   44.980   1.2331  277.675   15.188  304.506   23.482  258.377   19.915   47.037   1.8231   43.345   1.6778 3.691845 2.477635 
1 1 1    5    7   21 o   33.756   1.4250  156.585   13.172  150.413   18.598  162.797   18.658   32.953   2.0716   34.301   1.9950 -1.348640 2.876040 
1 1 1    5    7   22 o   43.819   1.3535  263.974   16.241  253.500   20.836  280.188   25.925   42.878   1.7746   45.015   2.1031 -2.136940 2.751768 
1 1 1    5    7   23 o   29.080   1.7309  117.240   13.721  131.568   19.376  102.829   19.432   30.664   2.3249   26.992   2.6638 3.671349 3.535647 
1 1 1    5    7   24 o   46.285   1.3001  295.574   16.477  317.631   21.657  265.256   25.391   47.869   1.6522   43.568   2.1282 4.300167 2.694264 
1 1 1    5    7   25 o   16.469   3.1147   40.755   13.532   27.530   20.101   51.716   18.300   13.356   4.5693   18.260   3.7843 -4.903996 5.932920 
1 1 1    5    7   26 o   21.662   2.7349   70.102   15.862   89.684   25.590   57.884   20.213   23.384   4.1483   18.756   4.0537 4.627134 5.800082 
1 1 1    5    7   27 o   11.476   3.4721   21.509   11.843   36.072   17.063   7.9738   16.450   14.397   4.1196   9.2102   3.8644 5.187288 5.648394 
1 1 1    5    8    0 o  380.621   4.8479 19863.76  505.102 19863.76  505.102 19863.76  505.102  380.621   4.8479  380.621   4.8479 0.000000 0.000000 
1 1 1    5    8    1 o  117.764   1.2513  1899.06   40.353  1958.97   48.959  1772.14   71.264  119.604   1.4948  113.744   2.2880 5.860054 2.733025 
1 1 1    5    8    2 o  125.392   1.0836  2152.98   37.208  2121.41   52.613  2184.57   52.628  124.463   1.5437  126.303   1.5216 -1.839523 2.167573 
1 1 1    5    8    3 o  151.398   1.2123  3138.73   50.258  3139.83   75.436  3137.86   67.393  151.413   1.8194  151.370   1.6259 0.4336548E-01 2.440017 
1 1 1    5    8    4 o  145.359   1.1693  2893.32   46.544  3014.47   72.621  2808.86   60.634  148.359   1.7875  143.215   1.5461 5.143753 2.363416 
1 1 1    5    8    5 o  170.525   2.0089  3982.85   93.807  4070.73  122.913  3860.25  145.177  172.374   2.6040  167.834   3.1588 4.539978 4.093760 
1 1 1    5    8    6 f   72.776   1.1099  725.248   22.119  691.806   33.309  751.629   29.584   71.072   1.7115   74.084   1.4583 -3.012260 2.248493 
1 1 1    5    8    7 o  104.222   1.0990  1487.43   31.364  1521.47   46.131  1458.16   42.770  105.400   1.5983  103.185   1.5137 2.214905 2.201335 
1 1 1    5    8    8 o  135.081   1.4873  2499.09   55.016  2648.11   82.098  2377.62   74.122  139.027   2.1565  131.739   2.0547 7.287643 2.978608 
1 1 1    5    8    9 o   56.245   0.9058  433.209   13.951  458.090   22.659  418.019   17.705   57.831   1.4309   55.248   1.1703 2.583752 1.848486 
1 1 1    5    8   10 o  128.655   1.4292  2267.46   50.350  2303.26   72.248  2233.65   70.207  129.632   2.0353  127.660   2.0084 1.972176 2.859350 
1 1 1    5    8   11 o   54.059   0.8766  400.235   12.976  428.596   18.097  370.228   18.615   55.935   1.1815   51.984   1.3077 3.951038 1.762409 
1 1 1    5    8   12 o   98.120   1.0812  1318.95   29.051  1338.40   38.797  1294.13   43.829   98.820   1.4337   97.156   1.6474 1.663712 2.183940 
1 1 1    5    8   13 o   49.138   0.8945  330.752   12.036  322.195   18.097  337.540   16.118   48.482   1.3632   49.630   1.1860 -1.147957 1.806867 
1 1 1    5    8   14 o   51.830   0.9105  368.017   12.923  366.230   16.921  370.519   20.020   51.694   1.1954   51.986   1.4063 -0.2923698 1.845705 
1 1 1    5    8   15 o   58.371   0.8636  466.765   13.804  476.584   19.805  457.490   19.250   58.965   1.2266   57.772   1.2168 1.192810 1.727744 
1 1 1    5    8   16 o   82.187   1.0600  925.724   23.856  957.515   42.353  910.951   28.872   83.503   1.8522   81.509   1.2936 1.994270 2.259205 
1 1 1    5    8   17 o   18.419   2.2118   47.342   10.932   52.324   14.128   39.905   17.260   19.285   2.7535   16.620   3.8653 2.664267 4.745812 
1 1 1    5    8   18 o   34.026   1.2372  158.818   11.527  146.829   15.993  171.782   16.631   32.634   1.7965   35.357   1.7177 -2.723103 2.485559 
1 1 1    5    8   19 o   50.626   1.2012  351.651   16.653  380.360   25.004  328.762   22.325   52.593   1.7361   48.904   1.6671 3.689003 2.406939 
1 1 1    5    8   20 o   29.629   1.6880  121.160   13.639  111.985   20.513  128.430   18.260   28.306   2.6783   30.424   2.2068 -2.117815 3.470311 
1 1 1    5    8   21 o   9.2802   3.5303   8.6841   12.410   16.381   17.308   0.5404   17.803   11.660   4.2183   9.2961   3.9653 2.363398 5.789410 
1 1 1    5    8   22 o   72.358   1.1456  719.273   22.699  735.693   29.986  697.236   34.738   73.093   1.4981   71.072   1.7849 2.021149 2.330306 
1 1 1    5    8   23 o   27.797   1.9537  107.780   14.776   94.129   20.391  122.876   21.442   25.658   2.9564   29.456   2.6880 -3.797935 3.995659 
1 1 1    5    8   24 o   20.608   2.3331   60.597   12.935   70.036   18.014   50.550   18.585   21.861   3.0957   18.192   3.8508 3.669317 4.940797 
1 1 1    5    8   25 f   38.378   1.4194  205.114   14.917  203.129   22.428  206.688   19.975   37.706   2.1815   38.266   1.9062 -0.5601463 2.897007 
1 1 1    5    8   26 o   9.4459   3.6369   11.659   13.271   3.5319   22.681   15.889   16.365   9.7802   4.3188   10.565   4.0457 -0.7847824 5.917744 
1 1 1    5    8   27 o   11.632   3.4416   22.308   11.732   23.141   16.888   21.531   16.310   11.684   4.1741   11.372   4.0978 0.3124104 5.849340 
1 1 1    5    9    0 o   52.987   2.0220  386.160   29.241  386.160   29.241  386.160   29.241   52.987   2.0220   52.987   2.0220 0.000000 0.000000 
1 1 1    5    9    1 o   45.632   1.7204  285.182   21.498   0.0000   0.0000  285.182   21.498  ?   ?    45.632   1.7204 0.000000 1.720426 
1 1 1    5    9    2 o   57.551   0.9119  453.530   14.372  415.758   23.678  475.563   18.084   55.099   1.5693   58.932   1.1206 -3.833073 1.928382 
1 1 1    5    9    3 o  105.568   0.9153  1526.01   26.461  1607.45   42.653  1475.06   33.738  108.342   1.4377  103.787   1.1871 4.554192 1.864440 
1 1 1    5    9    4 o  210.264   1.9354  6055.71  111.433  5740.14  173.665  6276.58  145.286  204.647   3.0990  214.036   2.4788 -9.388931 3.968398 
1 1 1    5    9    5 o  114.361   1.3601  1791.05   42.592  1558.04   69.832  1929.08   53.746  106.640   2.3914  118.680   1.6538 -12.04032 2.907516 
1 1 1    5    9    6 o  168.111   1.4911  3870.59   68.640  3842.88   91.840  3905.66  103.313  167.489   2.0024  168.840   2.2345 -1.351563 3.000489 
1 1 1    5    9    7 o   73.239   1.0395  734.545   20.848  824.066   29.276  642.431   29.696   77.568   1.3783   68.485   1.5835 9.083359 2.099308 
1 1 1    5    9    8 o  117.394   1.2628  1887.54   40.594  1907.28   55.488  1864.80   59.542  117.989   1.7174  116.662   1.8638 1.327614 2.534407 
1 1 1    5    9    9 o   72.790   0.9240  725.613   18.417  719.545   28.300  730.071   24.255   72.473   1.4260   73.007   1.2133 -0.5338745 1.872305 
1 1 1    5    9   10 o   20.776   1.4876   59.454   8.4072   49.760   11.535   70.438   12.278   18.910   2.2732   22.576   2.0071 -3.665462 3.032487 
1 1 1    5    9   11 o   60.848   0.8698  507.125   14.493  537.019   23.262  488.159   18.529   62.599   1.3570   59.691   1.1336 2.907368 1.768205 
1 1 1    5    9   12 o   88.836   0.9286  1081.10   22.589  1122.28   33.513  1046.81   30.579   90.485   1.3525   87.396   1.2777 3.089897 1.860631 
1 1 1    5    9   13 o   54.421   0.8833  405.712   13.163  403.776   17.433  408.281   20.075   54.280   1.1729   54.575   1.3433 -0.2942581 1.783271 
1 1 1    5    9   14 o   60.951   0.9066  508.950   15.131  510.583   19.869  506.696   23.346   61.035   1.1888   60.790   1.4024 0.2450333 1.838503 
1 1 1    5    9   15 o   64.736   0.9938  574.262   17.616  601.103   31.562  562.117   21.231   66.176   1.7417   64.035   1.2108 2.140480 2.121223 
1 1 1    5    9   16 o   24.750   1.5552   84.399   10.487   80.333   13.806   89.946   16.124   24.078   2.1153   25.457   2.3391 -1.378914 3.153752 
1 1 1    5    9   17 o   82.823   1.0209  940.336   23.153  942.064   31.100  938.188   34.679   82.859   1.3707   82.666   1.5320 0.1930389 2.055648 
1 1 1    5    9   18 o   62.670   0.9664  538.429   16.585  546.278   23.206  530.234   23.712   63.088   1.3433   62.149   1.3933 0.9391174 1.935366 
1 1 1    5    9   19 o   46.470   1.3197  296.497   16.794  272.921   29.457  307.849   20.441   44.371   2.4337   47.323   1.5774 -2.952133 2.900184 
1 1 1    5    9   20 o   61.727   1.0288  522.708   17.391  534.769   24.657  510.769   24.532   62.377   1.4436   60.957   1.4697 1.419991 2.060035 
1 1 1    5    9   21 o   17.009   2.8437   41.364   12.778   41.573   17.965   41.150   18.178   16.806   3.9673   16.712   4.0209 0.9432030E-01 5.648648 
1 1 1    5    9   22 o   11.805   4.0607   18.667   15.882   14.572   23.032   22.380   21.929   12.144   4.7587   13.178   4.7511 -1.033599 6.724422 
1 1 1    5    9   23 o   22.253   2.2791   70.046   13.692   57.064   18.136   87.253   20.880   19.633   3.5018   24.517   3.1854 -4.884022 4.733795 
1 1 1    5    9   24 o   38.753   1.3262  208.121   14.074  222.846   20.147  194.088   19.669   39.878   1.8450   37.124   1.9415 2.754055 2.678350 
1 1 1    5    9   25 o   17.242   2.7894   44.734   12.721   58.694   17.132   27.582   18.990   19.452   3.3364   12.961   4.4413 6.491053 5.554838 
1 1 1    5    9   26 o   9.0885   3.5900   10.188   13.205   40.363   24.154  -2.6759   15.770   14.614   5.0088   7.7660   3.5026 6.847948 6.112002 
1 1 1    5   10    0 o   29.149   1.8017  117.683   14.255  117.683   14.255  117.683   14.255   29.149   1.8017   29.149   1.8017 0.000000 0.000000 
1 1 1    5   10    1 o  157.122   1.2554  3380.75   54.016  3405.07   81.251  3361.49   72.309  157.669   1.8819  156.663   1.6855 1.006012 2.526360 
1 1 1    5   10    2 o  102.436   0.9520  1436.86   26.705  1402.30   43.467  1457.81   33.847  101.187   1.5687  103.177   1.1980 -1.989822 1.973825 
1 1 1    5   10    3 o  148.939   1.5247  3038.12   62.186  2762.81   76.042  3593.99  108.050  142.016   1.9553  161.954   2.4364 -19.93761 3.123990 
1 1 1    5   10    4 o   92.943   1.2815  1183.02   32.615  1006.00   54.580  1281.35   40.676   85.683   2.3262   96.723   1.5358 -11.03940 2.787419 
1 1 1    5   10    5 o  228.035   1.8613  7123.91  116.229  7110.44  184.250  7132.82  149.793  227.718   2.9548  228.133   2.3978 -0.4156647 3.805260 
1 1 1    5   10    6 o  144.022   1.1722  2840.79   46.230  2809.60   68.797  2866.46   62.424  143.204   1.7544  144.655   1.5759 -1.450684 2.358256 
1 1 1    5   10    7 o   71.098   0.8106  692.231   15.782  675.224   22.372  709.076   22.266   70.213   1.1636   71.952   1.1301 -1.739243 1.622044 
1 1 1    5   10    8 o   63.456   1.0207  551.510   17.737  561.610   30.291  546.240   21.880   64.015   1.7280   63.147   1.2654 0.8679466 2.141750 
1 1 1    5   10    9 o   46.671   0.9598  298.353   12.267  292.877   18.518  302.635   16.375   46.229   1.4628   46.998   1.2724 -0.7689056 1.938750 
1 1 1    5   10   10 o  101.739   0.9903  1417.94   27.590  1389.42   39.774  1444.39   38.304  100.681   1.4427  102.659   1.3626 -1.978622 1.984395 
1 1 1    5   10   11 o  173.351   1.5310  4120.43   72.678  4182.05  109.552  4071.99   97.130  174.486   2.2928  172.229   2.0595 2.257446 3.081954 
1 1 1    5   10   12 o  107.686   1.0357  1588.87   30.542  1538.66   43.548  1637.47   42.846  105.930   1.5013  109.285   1.4317 -3.355797 2.074531 
1 1 1    5   10   13 o   31.289   1.0505  134.148   9.0009  131.523   12.616  136.869   12.845   30.969   1.4877   31.592   1.4848 -0.6232395 2.101899 
1 1 1    5   10   14 o   38.047   1.0614  198.383   11.058  201.037   14.224  194.329   17.581   38.290   1.3566   37.629   1.7062 0.6607704 2.179775 
1 1 1    5   10   15 o   61.776   0.9170  522.933   15.512  515.782   22.907  528.990   21.080   61.322   1.3641   62.112   1.2394 -0.7897873 1.843097 
1 1 1    5   10   16 o   65.130   0.8957  581.317   15.975  580.977   22.667  581.652   22.517   65.081   1.2719   65.120   1.2627 -0.3864288E-01 1.792243 
1 1 1    5   10   17 o   87.307   1.0549  1045.18   25.221  1071.11   34.341  1014.82   37.162   88.332   1.4197   85.953   1.5789 2.378883 2.123313 
1 1 1    5   10   18 o   53.285   1.0603  389.421   15.471  406.914   21.256  369.713   22.561   54.431   1.4261   51.864   1.5886 2.567123 2.134763 
1 1 1    5   10   19 o   40.155   1.6283  221.808   17.905  238.489   29.360  211.930   22.593   41.409   2.6024   39.132   2.1162 2.276733 3.354266 
1 1 1    5   10   20 o   68.861   1.0964  650.869   20.674  657.291   27.027  641.811   32.099   69.140   1.4275   68.256   1.7174 0.8837357 2.233189 
1 1 1    5   10   21 o   20.509   2.2828   59.090   12.603   54.408   17.506   64.127   18.157   19.367   3.4263   21.120   3.2433 -1.752729 4.717938 
1 1 1    5   10   22 o   36.365   1.5422  182.713   15.357  204.774   21.121  157.966   22.370   38.323   2.0198   33.498   2.4558 4.825768 3.179715 
1 1 1    5   10   23 o   17.480   2.9364   44.919   13.557   49.528   17.657   38.300   21.159   18.048   3.6971   15.569   4.6253 2.478293 5.921344 
1 1 1    5   10   24 o   16.390   2.8078   40.149   12.149   19.120   17.060   61.785   17.305   11.479   4.1826   20.162   3.2444 -8.683235 5.293372 
1 1 1    5   10   25 o   6.3754   2.9180  -5.3621   11.452 -17.8850   16.071   7.5571   16.323   6.5211   3.1272   9.2421   3.8616 -2.721029 4.969009 
1 1 1    5   10   26 o   18.975   2.7224   55.126   13.740   75.682   25.752   46.946   16.245   20.308   4.7204   16.813   3.6346 3.495377 5.957572 
1 1 1    5   11    0 o   52.108   1.4730  372.733   20.981  372.733   20.981  372.733   20.981   52.108   1.4730   52.108   1.4730 0.000000 0.000000 
1 1 1    5   11    1 o  158.828   1.7099  3455.81   74.370  3664.11  134.133  3363.35   89.364  163.451   2.9968  156.668   2.0830 6.783554 3.649629 
1 1 1    5   11    2 o   99.738   1.2071  1362.39   32.969  1769.28   79.262  1277.27   36.254  113.603   2.5479   96.567   1.3710 17.03592 2.893332 
1 1 1    5   11    3 o  121.505   1.2201  2022.02   40.594  1756.61   80.542  2112.40   47.000  113.186   2.5986  124.185   1.3821 -10.99874 2.943300 
1 1 1    5   11    4 o   82.518   0.9773  932.511   22.083  1377.51   66.559  877.467   23.409  100.232   2.4250   80.043   1.0680 20.18901 2.649762 
1 1 1    5   11    5 o  165.878   1.3890  3769.42   63.095  3681.35   99.017  3829.62   81.868  163.861   2.2067  167.168   1.7884 -3.306488 2.840420 
1 1 1    5   11    6 o   91.522   1.6172  1147.85   40.529  1018.38   56.181  1288.36   58.525   86.162   2.3811   96.925   2.2050 -10.76333 3.245281 
1 1 1    5   11    7 f   91.186   0.8906  1138.82   22.238  1147.90   32.348  1130.69   30.621   91.532   1.2906   90.846   1.2309 0.6858749 1.783457 
1 1 1    5   11    8 o   20.828   1.5563   59.796   8.8120   70.276   14.692   53.908   11.013   22.494   2.4235   19.714   2.0710 2.779833 3.187832 
1 1 1    5   11    9 o  128.211   1.4114  2253.29   49.553  2266.07   61.210  2229.00   84.409  128.535   1.7391  127.374   2.4200 1.161362 2.980072 
1 1 1    5   11   10 o   52.308   0.7904  374.779   11.322  359.353   15.849  390.853   16.179   51.210   1.1302   53.408   1.1062 -2.198242 1.581487 
1 1 1    5   11   11 f  107.409   1.0299  1580.70   30.291  1534.46   43.231  1625.30   42.455  105.784   1.4924  108.878   1.4240 -3.093475 2.062739 
1 1 1    5   11   12 o   76.647   0.9964  804.953   20.913  867.552   38.900  779.508   24.801   79.507   1.7867   75.413   1.2010 4.093369 2.152866 
1 1 1    5   11   13 o   84.411   0.9892  976.362   22.865  1010.76   31.329  937.151   33.448   85.857   1.3326   82.657   1.4777 3.199486 1.989828 
1 1 1    5   11   14 o   49.522   0.9251  336.058   12.545  344.333   18.734  329.330   16.891   50.104   1.3654   49.007   1.2587 1.097160 1.857061 
1 1 1    5   11   15 o   13.145   2.6613   24.693   9.2508   12.946   13.041   36.593   13.125   10.352   3.6711   15.996   3.1084 -5.644073 4.810283 
1 1 1    5   11   16 o   83.682   0.9606  959.934   22.011  980.896   31.950  940.996   30.368   84.538   1.3802   82.806   1.3392 1.731323 1.923120 
1 1 1    5   11   17 o   17.401   2.4369   42.615   11.293   34.148   15.047   53.539   17.090   15.342   3.6369   19.350   3.3463 -4.008479 4.942172 
1 1 1    5   11   18 o   71.376   0.9713  698.657   18.984  718.809   27.403  680.060   26.324   72.338   1.3834   70.364   1.3662 1.973923 1.944299 
1 1 1    5   11   19 o   43.681   1.3671  262.223   16.353  252.633   29.647  266.416   19.605   42.604   2.5529   43.995   1.6274 -1.390354 3.027500 
1 1 1    5   11   20 o   70.825   1.0991  688.879   21.317  732.602   33.248  658.360   27.778   72.896   1.6656   69.157   1.4668 3.738937 2.219407 
1 1 1    5   11   21 o   28.883   1.5757  115.532   12.415  117.441   17.940  113.777   17.200   28.943   2.2820   28.503   2.2212 0.4401321 3.184532 
1 1 1    5   11   22 o   14.087   3.4073   29.806   13.001   29.618   16.805   30.088   20.516   13.956   4.1162   14.135   4.6120 -0.1789675 6.181714 
1 1 1    5   11   23 o   6.3479   2.9739 -11.1389   12.982 -11.4575   16.832 -10.6711   20.395   7.4129   3.4440   8.3466   3.8472 -0.9337206 5.163581 
1 1 1    5   11   24 o   15.127   3.2382   35.812   13.009   33.078   16.657   40.086   20.828   14.089   4.0817   15.186   4.6067 -1.097070 6.154874 
1 1 1    5   11   25 o   12.422   3.4607   25.299   12.210   26.203   19.271   24.693   15.781   12.352   4.4538   12.090   4.0491 0.2623997 6.019261 
1 1 1    5   12    0 o   38.128   3.4449  204.230   35.292  204.230   35.292  204.230   35.292   38.128   3.4449   38.128   3.4449 0.000000 0.000000 
1 1 1    5   12    1 o   67.084   0.9680  616.353   17.782  626.770   27.427  608.799   23.357   67.635   1.4809   66.664   1.2795 0.9708252 1.957042 
1 1 1    5   12    2 o   42.984   0.7949  253.031   9.3566  252.123   21.351  253.246   10.409   42.888   1.8180   43.002   0.8840 -0.1136360 2.021533 
1 1 1    5   12    3 o  175.847   1.5464  4237.48   74.463  4143.16  129.285  4284.31   91.090  173.720   2.7178  176.778   1.8817 -3.058655 3.305597 
1 1 1    5   12    4 o  176.199   2.0667  4258.17   99.718   0.0000   0.0000  4258.17   99.718  ?   ?   176.199   2.0667 0.000000 2.066715 
1 1 1    5   12    5 o   44.071   0.8113  266.004   9.7903  345.694   20.090  241.184   11.212   50.223   1.4608   41.961   0.9757 8.261669 1.756666 
1 1 1    5   12    6 o  187.459   1.5563  4817.50   79.890  4732.82  125.657  4874.95  103.501  185.626   2.4721  188.495   2.0052 -2.869217 3.183069 
1 1 1    5   12    7 o   45.389   1.0566  282.258   13.132  268.845   21.508  290.230   16.582   44.271   1.7742   46.017   1.3159 -1.746212 2.208896 
1 1 1    5   12    8 o   99.523   1.1277  1357.23   30.732  1288.04   41.364  1442.50   45.916   96.918   1.5586  102.557   1.6350 -5.638954 2.258813 
1 1 1    5   12    9 o   51.270   0.9181  360.110   12.890  354.548   15.823  371.084   22.226   50.866   1.1360   52.019   1.5603 -1.153042 1.930083 
1 1 1    5   12   10 o   41.293   0.8231  233.577   9.3071  230.544   13.242  236.538   13.084   41.014   1.1790   41.545   1.1501 -0.5307808 1.647065 
1 1 1    5   12   11 o  100.405   0.9993  1381.36   27.475  1422.42   40.895  1347.58   37.094  101.841   1.4664   99.136   1.3664 2.704269 2.004381 
1 1 1    5   12   12 o   43.122   0.9228  254.789   10.897  224.544   15.931  281.378   14.937   40.461   1.4379   45.305   1.2040 -4.844017 1.875394 
1 1 1    5   12   13 o   24.648   1.5804   83.728   10.611   66.032   14.284  105.519   15.850   21.763   2.4387   27.621   2.1116 -5.857271 3.225854 
1 1 1    5   12   14 o   41.324   1.0428  234.102   11.801  226.347   16.723  241.793   16.655   40.607   1.5039   41.974   1.4490 -1.366516 2.088385 
1 1 1    5   12   15 o   43.952   0.9782  264.825   11.774  267.592   16.549  261.988   16.754   44.155   1.3687   43.688   1.4005 0.4672928 1.958203 
1 1 1    5   12   16 o   59.950   1.0072  492.820   16.535  500.134   21.886  483.095   25.239   60.360   1.3241   59.294   1.5544 1.066158 2.041971 
1 1 1    5   12   17 o   59.305   0.9965  482.364   16.183  515.060   22.631  448.147   23.151   61.239   1.3495   57.105   1.4805 4.134098 2.003267 
1 1 1    5   12   18 o   44.185   1.0885  267.924   13.170  278.659   18.738  257.444   18.514   45.012   1.5203   43.259   1.5629 1.752922 2.180341 
1 1 1    5   12   19 o   60.098   1.2101  496.238   19.914  529.416   36.870  482.573   23.662   61.833   2.1775   59.217   1.4592 2.615921 2.621224 
1 1 1    5   12   20 o   34.295   1.4290  162.077   13.420  161.701   20.785  162.346   17.575   34.025   2.2434   34.192   1.8843 -0.1672897 2.929770 
1 1 1    5   12   21 o   28.161   1.5636  110.104   12.010  136.272   19.189   93.250   15.400   31.112   2.2680   25.728   2.2072 5.384542 3.164741 
1 1 1    5   12   22 o   50.571   1.1681  353.353   16.176  370.667   21.616  331.315   24.387   51.630   1.5289   48.650   1.8306 2.979317 2.385080 
1 1 1    5   12   23 o   18.235   2.1566   48.112   10.560   60.099   16.455   39.720   13.769   19.868   3.1280   16.017   3.2505 3.851141 4.511132 
1 1 1    5   12   24 f   20.183   2.3381   60.150   12.683   62.313   16.323   56.855   20.148   20.049   3.0712   18.305   4.1191 1.743778 5.137965 
1 1 1    5   13    0 o   49.378   0.9607  334.284   12.979  334.284   12.979  334.284   12.979   49.378   0.9607   49.378   0.9607 0.000000 0.000000 
1 1 1    5   13    1 o   97.381   1.0970  1299.23   29.253  1276.46   43.019  1318.80   39.897   96.488   1.6282   98.087   1.4854 -1.598610 2.203927 
1 1 1    5   13    2 o   39.410   0.8578  212.737   9.2572  211.482   17.034  213.262   11.028   39.275   1.5838   39.455   1.0207 -0.1806145 1.884234 
1 1 1    5   13    3 o   51.698   0.8817  366.104   12.482  391.713   21.347  352.801   15.386   53.455   1.4583   50.744   1.1072 2.711533 1.831048 
1 1 1    5   13    4 o   84.245   1.1774  972.537   27.162   0.0000   0.0000  972.537   27.162  ?   ?    84.245   1.1774 0.000000 1.177400 
1 1 1    5   13    5 o  111.945   1.0624  1717.02   32.567  1731.14   60.431  1711.24   38.662  112.310   1.9650  111.741   1.2635 0.5688248 2.336148 
1 1 1    5   13    6 o   62.054   0.7743  527.430   13.157  504.371   23.834  537.537   15.780   60.654   1.4350   62.641   0.9199 -1.986763 1.704537 
1 1 1    5   13    7 o   41.882   0.9154  240.306   10.498  251.326   19.190  235.599   12.542   42.806   1.6371   41.465   1.1045 1.340889 1.974899 
1 1 1    5   13    8 o   33.818   0.9980  156.695   9.2424  166.921   17.487  152.731   10.887   34.826   1.8402   33.382   1.1910 1.444046 2.191981 
1 1 1    5   13    9 o   27.550   1.1190  104.020   8.4416  103.014   11.791  105.076   12.091   27.358   1.5806   27.629   1.6050 -0.2711010 2.252676 
1 1 1    5   13   10 o   40.144   0.9457  220.812   10.396  227.091   14.108  213.350   15.379   40.699   1.2659   39.442   1.4239 1.257370 1.905268 
1 1 1    5   13   11 o   59.421   0.8641  483.770   14.060  473.677   21.301  491.563   18.716   58.771   1.3236   59.883   1.1413 -1.111641 1.747708 
1 1 1    5   13   12 o   89.142   1.0678  1089.28   26.064  1106.01   45.850  1081.29   31.681   89.715   1.8663   88.789   1.3030 0.9259796 2.276192 
1 1 1    5   13   13 o   59.484   1.0837  485.138   17.652  510.388   27.880  468.242   22.806   60.955   1.6703   58.410   1.4258 2.544983 2.196097 
1 1 1    5   13   14 o   25.678   1.3881   90.776   9.7243   83.849   13.782   97.643   13.723   24.592   2.0658   26.574   1.8982 -1.982784 2.805490 
1 1 1    5   13   15 o   63.145   0.9149  546.628   15.820  557.638   22.787  536.384   21.980   63.736   1.3056   62.512   1.2840 1.223732 1.831179 
1 1 1    5   13   16 o   49.595   1.1185  337.489   15.190  383.551   19.925  273.566   23.472   52.842   1.3770   44.559   1.9237 8.283352 2.365699 
1 1 1    5   13   17 o   71.492   1.0148  701.208   19.867  718.778   27.125  680.877   29.178   72.322   1.3697   70.361   1.5144 1.961304 2.041914 
1 1 1    5   13   18 o   61.577   1.0743  520.569   18.114  541.594   24.107  493.298   27.454   62.748   1.4030   59.826   1.6758 2.922127 2.185567 
1 1 1    5   13   19 o   61.935   1.1159  527.228   18.926  536.301   29.878  521.149   24.458   62.292   1.7516   61.496   1.4524 0.7962608 2.275419 
1 1 1    5   13   20 o   43.055   1.1832  255.335   13.950  282.743   19.312  225.428   20.174   45.207   1.5600   40.288   1.8286 4.919136 2.403631 
1 1 1    5   13   21 o   11.491   3.1800   19.832   10.346   23.298   16.045   17.366   13.535   12.467   4.0792   11.024   3.7496 1.442757 5.540696 
1 1 1    5   13   22 o   15.326   2.9311   35.545   11.853   43.767   15.983   25.498   17.668   16.681   3.6042   12.679   4.2842 4.002575 5.598590 
1 1 1    5   13   23 o   7.4687   3.0727   4.3992   10.114   16.702   15.143  -5.5093   13.590   10.603   3.9278   6.9689   3.1855 3.633913 5.057190 
1 1 1    5   13   24 o   8.6174   3.2086   10.252   10.131   29.851   15.759  -3.5533   13.226   13.120   4.0129   7.0150   3.1817 6.104740 5.121190 
1 1 1    5   14    0 o   69.290   1.2236  658.280   23.201  658.280   23.201  658.280   23.201   69.290   1.2236   69.290   1.2236 0.000000 0.000000 
1 1 1    5   14    1 o   25.602   0.8404   89.789   5.8921   88.732   7.6613   91.319   9.2185   25.447   1.0994   25.778   1.3102 -0.3308582 1.710405 
1 1 1    5   14    2 o   43.642   0.8612  260.897   10.292  267.311   19.238  258.326   12.181   44.149   1.5913   43.422   1.0245 0.7273712 1.892562 
1 1 1    5   14    3 o   70.831   0.8110  687.221   15.729  753.010   29.981  662.236   18.476   74.107   1.4774   69.525   0.9705 4.581665 1.767648 
1 1 1    5   14    4 o  112.189   1.3215  1725.34   40.598  1675.34   75.549  1745.64   48.140  110.384   2.4994  112.821   1.5582 -2.437080 2.945318 
1 1 1    5   14    5 o   42.476   1.1992  247.271   13.948  243.180   19.858  251.255   19.597   42.100   1.7225   42.796   1.6722 -0.6957779 2.400687 
1 1 1    5   14    6 o   91.339   1.2930  1143.68   32.341  1083.26   43.811  1216.04   47.944   88.842   1.8008   94.122   1.8601 -5.280273 2.589044 
1 1 1    5   14    7 o   38.108   0.7384  198.915   7.7053  207.241   18.317  197.124   8.4934   38.860   1.7213   37.934   0.8176 0.9264908 1.905596 
1 1 1    5   14    8 o   77.396   0.7912  820.589   16.768  806.739   26.518  829.817   21.645   76.710   1.2624   77.817   1.0158 -1.107536 1.620328 
1 1 1    5   14    9 o   51.064   0.9965  357.333   13.935  353.847   23.188  359.303   17.434   50.773   1.6678   51.191   1.2437 -0.4185257 2.080438 
1 1 1    5   14   10 o   30.738   1.1655  129.542   9.8102  159.799   19.166  118.802   11.419   34.028   2.0667   29.427   1.4171 4.601463 2.505866 
1 1 1    5   14   11 o   81.981   0.9822  921.213   22.050  925.257   29.831  916.343   32.738   82.124   1.3265   81.710   1.4631 0.4140472 1.974942 
1 1 1    5   14   12 f   34.405   1.0662  162.301   10.045  142.544   14.939  178.604   13.570   32.163   1.7022   36.075   1.3737 -3.911575 2.187392 
1 1 1    5   14   13 o   46.471   1.0058  296.095   12.799  286.968   16.681  309.160   19.957   45.725   1.3322   47.440   1.5363 -1.715725 2.033442 
1 1 1    5   14   14 o   75.416   0.9986  779.959   20.622  874.829   34.739  728.337   25.625   79.775   1.5903   72.840   1.2847 6.934547 2.044366 
1 1 1    5   14   15 o   35.351   1.1314  171.493   10.953  175.767   15.778  167.518   15.216   35.748   1.6118   34.901   1.5922 0.8469658 2.265583 
1 1 1    5   14   16 o   49.107   1.0979  330.980   14.764  348.735   19.158  305.014   23.168   50.371   1.3889   47.046   1.7983 3.324516 2.272244 
1 1 1    5   14   17 f   35.530   1.2148  173.457   11.819  201.891   18.748  154.702   15.226   38.253   1.7898   33.503   1.6597 4.749542 2.440863 
1 1 1    5   14   18 o   7.5185   3.1116   2.5037   10.455   10.947   16.346  -3.3418   13.601   10.431   4.0306   7.5814   3.3463 2.849667 5.238625 
1 1 1    5   14   19 o   12.027   3.5272   21.311   12.371   58.350   20.461  -0.0325   15.532   19.710   3.9287   8.4970   3.6654 11.21346 5.373057 
1 1 1    5   14   20 o   15.837   2.5418   36.465   10.650   24.695   16.830   44.327   13.754   12.805   4.1771   17.311   3.0107 -4.506819 5.149070 
1 1 1    5   14   21 o   11.802   3.2162   21.480   10.678   39.771   17.359   10.348   13.543   15.695   4.0210   9.4277   3.6615 6.266909 5.438303 
1 1 1    5   14   22 o   12.005   3.3090   22.942   11.228   37.199   14.934   4.4060   17.029   15.124   3.6482   8.9598   3.8513 6.163874 5.304894 
1 1 1    5   14   23 o   11.331   3.3223   20.832   10.977   24.807   17.916   18.443   13.889   12.056   4.3000   10.738   3.7907 1.317783 5.732267 
1 1 1    5   15    0 o   21.736   1.3334   65.457   7.8684   65.457   7.8684   65.457   7.8684   21.736   1.3334   21.736   1.3334 0.000000 0.000000 
1 1 1    5   15    1 o   30.886   0.8384  130.685   7.0910  119.922   8.2017  162.551   14.112   29.584   1.0124   34.427   1.4969 -4.843315 1.807132 
1 1 1    5   15    2 o   76.962   0.8632  811.449   18.192  811.817   31.807  811.270   22.178   76.934   1.5098   76.943   1.0526 -0.8583069E-02 1.840493 
1 1 1    5   15    3 o   79.923   1.0669  875.365   23.350  838.485   32.906  912.767   33.138   78.184   1.5370   81.579   1.4834 -3.394890 2.136063 
1 1 1    5   15    4 o  120.438   1.5745  1990.02   51.929  1966.82   88.795  2002.07   64.017  119.500   2.7135  120.741   1.9362 -1.240959 3.333469 
1 1 1    5   15    5 o  148.237   1.8352  3017.14   74.496  2939.56   97.454  3126.20  115.547  146.162   2.4349  150.610   2.8017 -4.447983 3.711857 
1 1 1    5   15    6 o   27.608   1.3887  104.804   10.465   97.995   19.081  107.734   12.516   26.539   2.6614   27.969   1.6413 -1.430397 3.126844 
1 1 1    5   15    7 f   69.164   1.0511  655.662   19.908  625.094   32.342  674.310   25.261   67.470   1.7505   70.120   1.3156 -2.650108 2.189782 
1 1 1    5   15    8 o  103.673   1.2623  1474.01   35.834  1404.62   56.039  1522.02   46.609  101.073   2.0247  105.292   1.6165 -4.219612 2.590893 
1 1 1    5   15    9 o   47.518   0.7176  309.341   9.3371  290.178   16.798  317.909   11.232   45.990   1.3338   48.166   0.8516 -2.175972 1.582487 
1 1 1    5   15   10 o   31.722   1.0086  137.954   8.7612  147.437   13.852  131.631   11.311   32.767   1.5438   30.972   1.3336 1.794561 2.040083 
1 1 1    5   15   11 o   46.297   0.8820  293.785   11.182  274.848   16.500  309.867   15.205   44.749   1.3465   47.529   1.1683 -2.779755 1.782697 
1 1 1    5   15   12 o   22.870   1.9471   72.535   12.078   68.608   14.475   81.536   21.915   22.159   2.4251   23.961   3.4386 -1.802172 4.207726 
1 1 1    5   15   13 o   42.554   1.0792  248.412   12.575  270.693   17.052  221.845   18.619   44.391   1.4027   40.157   1.6932 4.234386 2.198794 
1 1 1    5   15   14 o   60.664   0.9085  504.637   15.093  500.951   21.816  508.020   20.902   60.392   1.3192   60.826   1.2549 -0.4337196 1.820707 
1 1 1    5   15   15 o   43.207   1.1030  256.254   13.050  255.943   19.730  256.496   17.399   43.110   1.6714   43.184   1.4714 -0.7488632E-01 2.226733 
1 1 1    5   15   16 o   15.952   2.5144   36.215   10.620   44.421   14.710   27.282   15.348   17.537   3.1803   13.673   3.9052 3.863774 5.036325 
1 1 1    5   15   17 o   26.324   1.4197   95.775   10.196  100.940   15.138   91.485   13.795   26.887   2.0720   25.611   1.9824 1.276026 2.867624 
1 1 1    5   15   18 o   14.412   2.6686   30.182   10.144   39.439   16.156   24.157   13.034   16.191   3.7218   12.735   3.5854 3.456042 5.167851 
1 1 1    5   15   19 o   55.431   1.2088  424.482   18.349  433.516   26.606  416.289   25.338   55.750   1.7428   54.660   1.6928 1.090538 2.429607 
1 1 1    5   15   20 o   11.250   3.2489   19.445   10.569   32.940   17.084   11.079   13.451   14.251   4.1352   9.5504   3.6653 4.700561 5.525803 
1 1 1    5   15   21 o   17.860   2.0569   46.260   9.8758   54.926   14.726   39.176   13.314   18.977   2.9280   15.826   3.1825 3.150835 4.324520 
1 1 1    5   15   22 o   13.779   3.0369   30.046   11.150   48.282   15.341   9.6285   16.233   17.335   3.3531   9.4109   3.8845 7.924009 5.131541 
1 1 1    5   16    0 o  122.678   1.4342  2063.42   48.165  2063.42   48.165  2063.42   48.165  122.678   1.4342  122.678   1.4342 0.000000 0.000000 
1 1 1    5   16    1 o   25.073   1.1042   86.174   7.5814  152.598   17.800   71.453   8.3794   33.268   1.9626   22.785   1.3490 10.48213 2.381495 
1 1 1    5   16    2 o   92.134   1.2158  1163.87   30.673  1164.11   42.612  1163.61   44.187   92.084   1.6899   92.054   1.7529 0.2918243E-01 2.434845 
1 1 1    5   16    3 o   33.263   1.1138  151.670   10.145  117.129   19.246  164.960   11.938   29.064   2.4409   34.684   1.2570 -5.620167 2.745504 
1 1 1    5   16    4 o   42.106   1.1497  243.070   13.256  252.436   35.362  241.539   14.299   42.634   3.0490   41.969   1.2442 0.6653023 3.293125 
1 1 1    5   16    5 o   17.915   1.9972   44.672   9.6314   5.5210   19.532   57.251   11.071   10.449   4.2810   20.306   2.0178 -9.856780 4.732650 
1 1 1    5   16    6 o   73.976   1.0657  750.232   21.588  744.385   35.706  753.601   27.102   73.605   1.7715   74.115   1.3354 -0.5104599 2.218450 
1 1 1    5   16    7 o   63.019   1.0562  544.484   18.226  548.772   31.062  542.232   22.508   63.188   1.7952   62.867   1.3075 0.3211823 2.220831 
1 1 1    5   16    8 f   23.977   1.7692   79.454   11.534   58.408   22.092   87.341   13.524   20.082   4.1543   25.117   1.9823 -5.034683 4.603009 
1 1 1    5   16    9 o   65.430   1.1283  587.189   20.215  575.907   34.320  593.182   25.015   64.689   1.9374   65.734   1.3897 -1.045013 2.384311 
1 1 1    5   16   10 o   38.243   0.8808  200.479   9.2238  184.472   15.375  209.480   11.529   36.642   1.5323   39.081   1.0773 -2.439369 1.873110 
1 1 1    5   16   11 o   22.686   1.4503   70.991   8.9625   79.231   16.214   67.367   10.755   23.802   2.5264   22.051   1.7967 1.750473 3.100100 
1 1 1    5   16   12 o   84.697   1.0291  984.052   23.868  962.867   31.865  1011.12   36.023   83.716   1.3900   85.756   1.5340 -2.040154 2.070116 
1 1 1    5   16   13 o   81.717   1.1684  916.770   26.145  875.471   36.467  960.451   37.504   79.743   1.6700   83.532   1.6396 -3.788902 2.340317 
1 1 1    5   16   14 f   12.586   2.7910   22.914   9.3672   27.886   13.570   18.390   12.946   13.815   3.5636   11.493   3.6558 2.322771 5.105367 
1 1 1    5   16   15 o   20.327   1.8628   57.582   10.253   72.633   14.284   41.581   14.727   22.749   2.3256   16.904   3.3000 5.845236 4.037152 
1 1 1    5   16   16 o   24.583   1.4599   83.667   9.7838   80.437   14.772   86.191   13.059   23.912   2.2838   24.851   1.9342 -0.9391689 2.992775 
1 1 1    5   16   17 o   6.8616   2.9305   0.3946   9.7451 -12.9579   15.300   9.5097   12.641   6.9680   3.2527   9.3357   3.5602 -2.367678 4.822388 
1 1 1    5   16   18 o   8.8042   3.1634   9.9895   9.7135   23.966   15.301   0.5543   12.572   12.551   3.9725   7.6758   3.3044 4.874957 5.167224 
1 1 1    5   16   19 o   17.027   2.7625   43.244   12.439   34.756   22.724   46.875   14.863   14.397   4.8586   17.500   3.2202 -3.103208 5.828885 
1 1 1    5   16   20 o   5.3455   2.5110  -8.2685   9.3615 -19.4499   14.025   0.7161   12.572   5.8568   2.8366   7.4969   3.2656 -1.640108 4.325536 
1 1 1    5   16   21 o   15.639   2.3802   36.629   9.8711   40.529   14.789   33.495   13.256   15.723   3.5224   14.320   3.4264 1.402984 4.914040 
1 1 1    5   17    0 o  140.007   1.7072  2689.66   65.431  2689.66   65.431  2689.66   65.431  140.007   1.7072  140.007   1.7072 0.000000 0.000000 
1 1 1    5   17    1 o   47.889   0.7826  314.225   10.263  319.142   22.567  312.943   11.524   48.196   1.7099   47.786   0.8806 0.4098015 1.923388 
1 1 1    5   17    2 o   23.712   1.2993   77.372   8.4045   74.314   19.033   78.113   9.3672   22.963   3.1066   23.812   1.4434 -0.8488617 3.425505 
1 1 1    5   17    3 o   5.8329   2.6061  -3.5986   8.5057   23.079   19.214 -10.1012   9.4859   13.237   4.4676   5.3714   2.5246 7.865639 5.131598 
1 1 1    5   17    4 o   13.399   2.8519   25.762   10.143   17.600   32.440   26.646   10.678   14.275   5.6305   13.619   2.9487 0.6558819 6.355939 
1 1 1    5   17    5 o   66.347   1.0512  603.578   19.098  639.326   33.844  586.876   23.133   68.186   1.8126   65.398   1.2918 2.787369 2.225778 
1 1 1    5   17    6 o   72.152   1.0926  713.950   21.587  690.909   35.560  727.395   27.165   70.872   1.8323   72.795   1.3628 -1.922432 2.283516 
1 1 1    5   17    7 o   71.507   1.1869  701.535   23.242  672.947   37.096  720.008   29.820   69.915   1.9376   72.397   1.5042 -2.482071 2.452933 
1 1 1    5   17    8 o   86.101   1.3396  1017.90   31.586  947.865   44.338  1090.06   45.007   82.956   1.9518   88.988   1.8470 -6.032761 2.687165 
1 1 1    5   17    9 o   43.158   1.2681  255.710   14.987  228.945   27.634  266.862   17.838   40.606   2.4973   44.068   1.4782 -3.461460 2.901968 
1 1 1    5   17   10 f   39.252   1.1700  211.466   12.576  198.747   17.818  224.093   17.753   38.000   1.7123   40.363   1.6062 -2.363037 2.347708 
1 1 1    5   17   11 o   62.035   1.1031  528.175   18.739  530.507   28.624  526.425   24.790   62.074   1.6840   61.876   1.4631 0.1971588 2.230772 
1 1 1    5   17   12 o   8.5622   2.8935   9.5561   8.0593   12.094   12.543   7.7712   10.518   10.008   3.5948   8.6401   3.2589 1.367810 4.852089 
1 1 1    5   17   13 o   14.319   2.2788   29.127   8.6361   18.792   13.495   36.297   11.239   11.615   3.7365   15.931   2.6709 -4.316084 4.592916 
1 1 1    5   17   14 o   30.213   1.3517  125.714   11.184  130.449   14.562  118.906   17.461   30.671   1.7411   29.165   2.2026 1.505426 2.807647 
1 1 1    5   17   15 f   11.744   2.8999   20.276   9.2700   19.920   12.814   20.668   13.427   11.717   3.6244   11.932   3.7133 -0.2143021 5.188895 
1 1 1    5   17   16 o   9.3451   3.1037   12.140   9.2760  -7.3617   14.963   24.312   11.822   7.4022   3.3676   12.714   3.3490 -5.311527 4.749373 
1 1 1    5   17   17 o   8.1939   3.0245   8.2033   8.9631   15.452   13.328   2.2174   12.111   10.511   3.7130   7.7758   3.2919 2.734734 4.962141 
1 1 1    5   17   18 o   6.2091   2.7353  -1.3285   9.0437   7.9324   13.792  -8.3144   11.979   8.9890   3.6289   6.2638   2.9086 2.725245 4.650632 
1 1 1    5   17   19 o   6.3540   2.8511  -2.7283   10.297   6.3069   16.241  -8.8018   13.316   9.0446   3.8196   6.5448   3.0482 2.499801 4.886827 
1 1 1    5   17   20 o   27.041   1.5913  103.867   11.731  113.015   17.595   96.544   15.741   27.640   2.3468   25.597   2.2693 2.043419 3.264530 
1 1 1    5   18    0 o   58.391   1.6553  468.882   26.419  468.882   26.419  468.882   26.419   58.391   1.6553   58.391   1.6553 0.000000 0.000000 
1 1 1    5   18    1 o   52.547   0.9487  378.560   13.651  394.968   24.976  371.571   16.301   53.595   1.7018   52.044   1.1438 1.551117 2.050444 
1 1 1    5   18    2 o   42.317   1.0094  245.551   11.697  273.302   23.732  236.647   13.443   44.552   1.9453   41.531   1.1821 3.021500 2.276270 
1 1 1    5   18    3 o   35.483   1.1505  172.731   11.179  145.484   22.734  181.420   12.838   32.331   2.5896   36.355   1.2896 -4.023705 2.892930 
1 1 1    5   18    4 o   19.528   2.0274   53.106   10.683   89.615   34.591   49.256   11.233   24.614   5.2896   18.764   2.2297 5.849136 5.740359 
1 1 1    5   18    5 o   23.463   1.6805   76.109   10.726   44.444   23.683   84.280   12.030   17.414   4.8083   24.681   1.7922 -7.267441 5.131434 
1 1 1    5   18    6 o   77.458   1.1570  823.335   24.540  799.909   41.535  835.898   30.417   76.179   1.9911   78.001   1.4240 -1.822166 2.447924 
1 1 1    5   18    7 o   22.862   1.8499   72.463   11.482   25.363   23.593   87.081   13.144   14.045   4.9425   25.063   1.9299 -11.01840 5.305893 
1 1 1    5   18    8 o   41.499   1.5581  236.870   17.706  179.433   26.314  284.385   23.934   35.858   2.6997   45.416   1.9245 -9.558270 3.315375 
1 1 1    5   18    9 o   50.523   1.2183  350.550   16.855  331.998   31.018  358.322   20.077   48.975   2.3129   51.050   1.4362 -2.074612 2.722511 
1 1 1    5   18   10 o   32.071   1.7333  142.191   15.166  123.069   37.800  145.860   16.557   28.840   4.9655   32.457   1.8707 -3.617205 5.306250 
1 1 1    5   18   11 o   33.966   1.5218  158.921   14.155  158.332   17.318  160.107   24.568   33.799   1.8785   33.779   2.6779 0.1926041E-01 3.271105 
1 1 1    5   18   12 o   40.242   1.2870  222.874   14.182  223.572   17.352  221.468   24.616   40.254   1.5741   39.840   2.2657 0.4143448 2.758870 
1 1 1    5   18   13 o   31.316   1.0410  134.838   8.9273  130.438   15.273  137.121   11.002   30.615   1.8302   31.547   1.2736 -0.9323788 2.229744 
1 1 1    5   18   14 o   10.537   2.6705   16.325   7.7156   14.302   12.232   17.661   9.9434   10.285   3.5622   10.952   3.1480 -0.6671028 4.753853 
1 1 1    5   18   15 o   19.045   1.8843   51.244   9.6983   62.330   12.977   37.220   14.596   20.871   2.3094   15.621   3.4990 5.249467 4.192446 
1 1 1    5   18   16 o   35.591   1.0756  175.108   10.483  164.964   14.723  185.540   14.931   34.362   1.5646   36.474   1.4949 -2.111916 2.163963 
1 1 1    5   18   17 o   6.0266   2.6903  -2.3483   9.0438   15.790   15.551 -11.6170   11.117   10.564   3.9670   5.6245   2.6702 4.939292 4.781994 
1 1 1    5   18   18 o   25.741   1.3837   93.124   9.7178  100.806   15.830   88.478   12.311   26.266   2.2217   24.857   1.8213 1.409393 2.872817 
1 1 1    5   18   19 o   20.103   1.9088   58.573   10.382   67.775   16.511   52.555   13.352   20.871   2.9730   18.533   2.7111 2.338390 4.023536 
1 1 1    5   19    0 o   54.092   1.1227  401.587   16.614  401.587   16.614  401.587   16.614   54.092   1.1227   54.092   1.1227 0.000000 0.000000 
1 1 1    5   19    1 o   70.613   1.1190  684.232   21.638  679.367   44.432  685.744   24.774   70.103   2.3146   70.666   1.2802 -0.5629578 2.645031 
1 1 1    5   19    2 o   50.307   2.0342  349.123   28.023  349.123   28.023   0.0000   0.0000   50.307   2.0342  ?   ?  0.000000 2.034213 
1 1 1    5   19    3 o   31.036   1.2096  132.241   10.280  105.899   23.063  138.773   11.484   27.395   3.1306   31.785   1.3194 -4.390192 3.397254 
1 1 1    5   19    4 o   54.231   1.1718  403.746   17.401  318.453   38.554  425.568   19.501   47.737   2.9640   55.663   1.2794 -7.926723 3.228330 
1 1 1    5   19    5 o   16.282   2.4296   37.505   10.501   40.422   23.428   36.772   11.747   16.606   4.8493   16.046   2.7740 0.5602188 5.586654 
1 1 1    5   19    6 o   32.382   1.4155  144.182   12.552  158.074   26.754  140.262   14.214   33.550   2.9418   31.875   1.6339 1.674984 3.365038 
1 1 1    5   19    7 o   91.123   1.3268  1141.47   33.107  1078.70   50.569  1188.56   43.798   88.320   2.0909   92.856   1.7225 -4.536446 2.709021 
1 1 1    5   19    8 o   24.906   2.2914   86.755   15.452   71.221   24.522   96.986   19.900   21.988   4.2263   26.212   2.8167 -4.223593 5.078885 
1 1 1    5   19    9 o   35.961   1.5040  178.203   14.810  189.983   36.423  175.869   16.211   36.377   3.7083   35.700   1.6583 0.6770554 4.062173 
1 1 1    5   19   10 o   18.877   2.5264   50.655   12.732   23.205   24.467   60.847   14.909   13.546   4.9976   20.668   2.6987 -7.122105 5.679724 
1 1 1    5   19   11 o   58.775   1.7049  478.485   27.439  560.177   35.536  357.867   43.181   63.435   2.0458   50.043   3.1674 13.39236 3.770630 
1 1 1    5   19   12 o   22.569   1.6304   71.004   10.009   55.357   13.675   89.053   14.687   19.628   2.6089   25.133   2.1549 -5.504181 3.383792 
1 1 1    5   19   13 o   23.076   1.6342   74.459   10.260   66.491   13.807   84.285   15.332   21.548   2.3796   24.308   2.3320 -2.759747 3.331795 
1 1 1    5   19   14 o   20.543   1.1391   58.541   6.3826   22.836   9.6424   86.385   8.5151   12.286   2.9107   24.967   1.2455 -12.68077 3.166006 
1 1 1    5   19   15 o   13.791   2.2170   27.861   8.0889   21.487   15.079   30.435   9.5846   11.726   3.9579   14.291   2.5423 -2.565121 4.704038 
1 1 1    5   19   16 o   5.4568   2.5352  -6.5515   9.1201  -9.1211   12.155  -3.2407   13.796   6.1777   2.8889   7.2904   3.2832 -1.112683 4.373231 
1 1 1    5   19   17 o   35.534   1.3187  176.834   12.832   0.0000   0.0000  176.834   12.832  ?   ?    35.534   1.3187 0.000000 1.318700 
1 1 1    5   20    0 o   6.1271   4.2606 -21.7691   25.345 -21.7691   25.345 -21.7691   25.345   6.1271   4.2606   6.1271   4.2606 0.000000 0.000000 
1 1 1    5   20    1 o   40.900   1.0010  229.585   11.211  224.422   15.707  234.946   16.006   40.388   1.4202   41.325   1.4144 -0.9369354 2.004346 
1 1 1    5   20    2 o   21.465   2.0447   64.285   11.873   63.884   21.483   64.462   14.247   20.913   3.8947   21.402   2.4766 -0.4887791 4.615419 
1 1 1    5   20    3 o   42.396   1.0894  246.833   12.647  225.498   25.157  254.048   14.630   40.254   2.2917   42.991   1.2427 -2.737888 2.606970 
1 1 1    5   20    4 o   54.248   1.3015  404.742   19.333   0.0000   0.0000  404.742   19.333  ?   ?    54.248   1.3015 0.000000 1.301451 
1 1 1    5   20    5 o   19.380   1.9715   52.506   10.317   32.469   20.147   59.628   12.011   14.880   4.5346   20.625   2.1587 -5.744662 5.022174 
1 1 1    5   20    6 o   58.807   1.1979  475.608   19.290  446.525   33.150  490.497   23.719   56.709   2.1347   59.659   1.4519 -2.950100 2.581682 
1 1 1    5   20    7 o   18.889   2.3974   50.573   12.121   22.094   31.649   55.468   13.122   14.207   5.5749   19.773   2.4778 -5.566424 6.100744 
1 1 1    5   20    8 o   27.279   2.2670  104.612   16.780   58.341   31.335  123.216   19.870   19.192   5.6093   29.547   2.4786 -10.35571 6.132574 
1 1 1    5   20    9 o   10.895   3.4303   17.093   11.421   22.710   23.981   15.445   12.989   13.230   4.9345   10.659   3.6720 2.570632 6.150804 
1 1 1    5   20   10 o   29.620   1.9185  123.009   15.478  124.324   25.887  122.278   19.309   29.128   3.3040   29.328   2.4261 -0.1995964 4.099048 
1 1 1    5   20   11 o   16.915   3.2064   42.932   14.309   35.192   24.890   46.752   17.487   14.896   5.0847   17.404   3.7777 -2.508636 6.334385 
1 1 1    5   20   12 o   11.456   3.5449   20.062   12.257   4.2596   23.620   25.885   14.338   10.373   4.4973   12.845   3.8056 -2.472225 5.891401 
1 1 1    5   20   13 o   20.205   2.6648   60.502   14.384   76.979   23.583   50.742   18.151   21.799   4.1014   17.777   3.8407 4.021368 5.618920 
1 1 1    5   20   14 o   21.705   2.0315   67.998   11.934   92.467   15.988   37.213   17.933   25.127   2.3509   14.778   4.2215 10.34940 4.831949 
1 1 1    5   20   15 o   9.6913   2.5896   14.447   7.0033   8.3861   8.0928   32.520   13.975   7.8965   2.8802   14.030   3.6151 -6.133345 4.622141 
1 1 1    5   20   16 o   4.9571   2.2519  -3.0141   6.6590  -3.2239   9.3741  -2.8005   9.4608   5.9330   2.6859   6.0215   2.7147 -0.8850861E-01 3.818835 
1 1 1    5   21    0 o   28.604   1.9160  114.276   14.853  114.276   14.853  114.276   14.853   28.604   1.9160   28.604   1.9160 0.000000 0.000000 
1 1 1    5   21    1 f   53.807   1.8912  401.737   27.865  401.737   27.865   0.0000   0.0000   53.807   1.8912  ?   ?  0.000000 1.891200 
1 1 1    5   21    2 o   19.053   3.3570   53.193   16.875   46.986   19.452   72.073   33.927   17.637   4.1046   21.253   5.7085 -3.615459 7.030963 
1 1 1    5   21    3 o   49.370   1.2141  335.706   16.414   92.106   26.551  486.404   20.883   24.879   4.0354   59.407   1.2837 -34.52735 4.234684 
1 1 1    5   21    4 o   53.647   1.2858  396.832   18.888   0.0000   0.0000  396.832   18.888  ?   ?    53.647   1.2858 0.000000 1.285758 
1 1 1    5   21    5 o   27.501   1.4244  104.794   10.690   98.250   20.152  107.356   12.610   26.161   2.8596   27.776   1.6656 -1.615662 3.309316 
1 1 1    5   21    6 f   38.842   1.5301  209.051   16.274  198.385   26.254  215.708   20.740   37.351   2.5827   39.319   1.9263 -1.968544 3.221951 
1 1 1    5   21    7 o   13.195   3.7419   26.552   14.143   28.127   33.567   26.213   15.595   14.575   5.7343   13.120   3.9877 1.455050 6.984569 
1 1 1    5   21    8 o   18.283   2.8005   49.048   13.574   34.647   23.249   56.497   16.720   14.767   4.9140   19.435   3.2568 -4.667876 5.895300 
1 1 1    5   21    9 o   17.099   3.1852   44.231   14.365   46.134   23.320   43.068   18.235   16.614   4.8343   16.422   4.0745 0.1919575 6.322321 
1 1 1    5   21   10 o   9.5546   3.7013   10.893   13.812   33.240   22.367  -2.8795   17.559   14.142   4.8201   8.3657   3.7406 5.776265 6.101257 
1 1 1    5   21   11 o   9.5122   3.7645   10.518   14.545  -0.5734   22.861   18.061   18.854   9.5345   4.2653   11.281   4.3371 -1.746819 6.083002 
1 1 1    5   21   12 f   18.585   3.1497   53.648   15.457   58.013   23.078   50.098   20.816   18.139   4.6304   16.985   4.4295 1.153757 6.407899 
1 1 1    5   21   13 o   15.196   2.9669   36.030   11.903   34.236   22.836   36.699   13.948   13.695   4.8578   15.024   3.4615 -1.328872 5.964945 
1 1 1    5   21   14 o   12.689   3.7439   27.250   13.901   25.105   22.920   28.498   17.483   12.149   4.7508   12.727   4.2619 -0.5780354 6.382294 
1 1 1    5   22    1 o   24.055   1.0599   79.800   6.9815   33.015   12.563  100.705   8.3976   14.801   3.1933   27.009   1.1354 -12.20728 3.389122 
1 1 1    5   22    2 o   16.611   1.9137   39.168   8.5456   6.3096   15.906   52.500   10.132   9.3293   3.8475   19.249   1.9490 -9.920073 4.312985 
1 1 1    5   22    3 o   26.213   1.5638   96.000   11.174   73.490   17.635  111.101   14.444   22.342   2.9549   28.081   1.8894 -5.738647 3.507316 
1 1 1    5   22    4 o   21.231   1.9618   63.960   11.276   28.398   19.148   82.841   13.952   13.454   4.4588   24.109   2.1354 -10.65564 4.943764 
1 1 1    5   22    5 o   15.325   2.3701   34.263   9.6250   43.759   18.760   30.870   11.213   16.480   4.1573   14.300   2.9612 2.180914 5.104052 
1 1 1    5   22    6 o   8.6889   3.1970   9.6919   10.002   21.419   18.535   4.8731   11.881   11.994   4.3612   8.1001   3.3311 3.893650 5.487806 
1 1 1    5   22    7 o   18.213   2.9219   50.005   14.080   62.417   24.810   44.109   17.101   19.066   4.7652   16.554   3.8459 2.512777 6.123593 
1 1 1    5   22    8 o   13.424   3.6496   29.121   13.768   25.674   18.980   32.950   20.003   12.559   4.4315   13.891   4.5550 -1.331506 6.355048 
1 1 1    5   22    9 o   11.757   3.7198   22.336   13.417   28.308   21.452   18.500   17.195   12.942   4.6940   11.110   4.1715 1.831910 6.279764 
1 1 1    5   22   10 o   14.704   3.7674   35.999   15.238  -2.1080   31.013   48.126   17.495   10.359   4.7636   17.006   3.8469 -6.646534 6.122969 
1 1 1    5   22   11 o   21.177   2.2151   65.972   12.655   83.597   22.813   58.137   15.210   22.445   3.8505   19.360   2.9634 3.084534 4.858777 
1 1 1    5   23    0 o   7.5066   4.3342   11.481   14.399   11.481   14.399   11.481   14.399   7.5066   4.3342   7.5066   4.3342 0.000000 0.000000 
1 1 1    5   23    1 o   10.548   2.0100   16.349   5.5940   14.579   14.120   16.678   6.0925   10.186   3.7888   10.604   2.1712 -0.4181204 4.366861 
1 1 1    5   23    2 o   23.424   1.9390   78.621   12.326   72.168   13.970  101.301   26.188   22.219   2.3307   25.024   3.9530 -2.805075 4.588912 
1 1 1    5   23    3 o   15.651   2.4948   36.528   10.334   14.037   15.295   55.416   14.016   10.179   3.9080   19.192   2.7452 -9.013236 4.775832 
1 1 1    5   23    4 o   11.027   3.1554   19.102   10.010   9.3434   15.333   26.352   13.216   9.3716   3.8109   12.734   3.6193 -3.361969 5.255662 
1 1 1    5   23    5 o   14.552   3.5693   34.445   14.115   48.789   17.106   3.8359   24.988   17.284   3.7241   10.130   4.5002 7.153718 5.841268 
1 1 1    5   23    6 o   25.201   2.0341   91.903   13.918   61.864   23.309  108.545   17.350   18.661   4.5925   27.157   2.3563 -8.496202 5.161755 
1 1 1    5   23    7 o   15.287   3.0559   36.742   12.345   33.688   18.048   39.428   16.923   13.837   4.3049   15.176   4.0115 -1.339260 5.884250 
1 1 1    5   23    8 o   19.874   2.3988   58.910   12.790   31.243   18.250   85.616   17.931   13.264   4.3510   23.649   2.8247 -10.38492 5.187497 
1 1 1    5   24    1 o   11.754   3.1795   22.279   10.481   19.525   14.730   25.103   14.917   10.979   3.9008   12.155   3.9304 -1.175542 5.537539 
1 1 1    5   24    2 o   10.924   3.3125   19.316   10.771 -23.0339   14.955   64.961   15.526   5.8117   2.8402   20.548   2.8347 -14.73671 4.012728 
1 1 1    5   24    3 o   11.155   3.5773   20.451   12.377   25.213   20.528   17.732   15.513   12.110   4.5558   10.648   3.9693 1.462246 6.042404 
1 1 1    6    0    0 o   34.700   2.3791  167.189   22.362  167.189   22.362  167.189   22.362   34.700   2.3791   34.700   2.3791 0.000000 0.000000 
1 1 1    6    0    1 o  295.384   3.7860 11958.45  306.122 11958.45  306.122 11958.45  306.122  295.384   3.7860  295.384   3.7860 0.000000 0.000000 
1 1 1    6    0    2 o   80.376   0.9456  884.915   20.806  884.915   20.806  884.915   20.806   80.376   0.9456   80.376   0.9456 0.000000 0.000000 
1 1 1    6    0    3 o   33.467   1.8128  154.713   16.501  154.713   16.501  154.713   16.501   33.467   1.8128   33.467   1.8128 0.000000 0.000000 
1 1 1    6    0    4 o  180.293   3.3310  4456.84  164.325  4456.84  164.325  4456.84  164.325  180.293   3.3310  180.293   3.3310 0.000000 0.000000 
1 1 1    6    0    5 o  130.678   2.6868  2341.68   96.054  2341.68   96.054  2341.68   96.054  130.678   2.6868  130.678   2.6868 0.000000 0.000000 
1 1 1    6    0    6 o   38.158   1.6166  200.446   16.823  200.446   16.823  200.446   16.823   38.158   1.6166   38.158   1.6166 0.000000 0.000000 
1 1 1    6    0    7 o   36.276   1.3044  180.889   12.920  180.889   12.920  180.889   12.920   36.276   1.3044   36.276   1.3044 0.000000 0.000000 
1 1 1    6    0    8 o  183.383   2.4197  4608.00  121.460  4608.00  121.460  4608.00  121.460  183.383   2.4197  183.383   2.4197 0.000000 0.000000 
1 1 1    6    0    9 o   49.177   1.3024  331.837   17.511  331.837   17.511  331.837   17.511   49.177   1.3024   49.177   1.3024 0.000000 0.000000 
1 1 1    6    0   10 o  390.414   5.0022 20909.31  534.579 20909.31  534.579 20909.31  534.579  390.414   5.0022  390.414   5.0022 0.000000 0.000000 
1 1 1    6    0   11 f   66.242   1.2425  601.500   22.521  601.500   22.521  601.500   22.521   66.242   1.2425   66.242   1.2425 0.000000 0.000000 
1 1 1    6    0   12 o   34.381   1.6195  162.964   15.170  162.964   15.170  162.964   15.170   34.381   1.6195   34.381   1.6195 0.000000 0.000000 
1 1 1    6    0   13 o  112.341   1.5914  1729.71   48.933  1729.71   48.933  1729.71   48.933  112.341   1.5914  112.341   1.5914 0.000000 0.000000 
1 1 1    6    0   14 o   23.074   2.4139   75.361   14.870   75.361   14.870   75.361   14.870   23.074   2.4139   23.074   2.4139 0.000000 0.000000 
1 1 1    6    0   15 o  158.041   2.1062  3426.39   91.115  3426.39   91.115  3426.39   91.115  158.041   2.1062  158.041   2.1062 0.000000 0.000000 
1 1 1    6    0   16 o   69.069   1.2597  654.179   23.807  654.179   23.807  654.179   23.807   69.069   1.2597   69.069   1.2597 0.000000 0.000000 
1 1 1    6    0   17 o   7.9604   4.3305   12.299   13.337   12.299   13.337   12.299   13.337   7.9604   4.3305   7.9604   4.3305 0.000000 0.000000 
1 1 1    6    0   18 o   32.834   1.9853  149.487   17.701  149.487   17.701  149.487   17.701   32.834   1.9853   32.834   1.9853 0.000000 0.000000 
1 1 1    6    0   19 o   48.677   1.6323  326.001   21.702  326.001   21.702  326.001   21.702   48.677   1.6323   48.677   1.6323 0.000000 0.000000 
1 1 1    6    0   20 o   58.800   1.4467  474.918   23.261  474.918   23.261  474.918   23.261   58.800   1.4467   58.800   1.4467 0.000000 0.000000 
1 1 1    6    0   21 o   57.135   1.5654  448.861   24.450  448.861   24.450  448.861   24.450   57.135   1.5654   57.135   1.5654 0.000000 0.000000 
1 1 1    6    0   22 o   13.047   5.7227   34.251   21.353   34.251   21.353   34.251   21.353   13.047   5.7227   13.047   5.7227 0.000000 0.000000 
1 1 1    6    0   23 f   9.3611   5.1572   17.355   19.176   17.355   19.176   17.355   19.176   9.3611   5.1572   9.3611   5.1572 0.000000 0.000000 
1 1 1    6    0   24 o   38.945   2.2324  211.493   23.629  211.493   23.629  211.493   23.629   38.945   2.2324   38.945   2.2324 0.000000 0.000000 
1 1 1    6    0   25 o   55.187   1.6209  421.003   24.447  421.003   24.447  421.003   24.447   55.187   1.6209   55.187   1.6209 0.000000 0.000000 
1 1 1    6    0   26 o   27.941   2.9601  114.199   22.067  114.199   22.067  114.199   22.067   27.941   2.9601   27.941   2.9601 0.000000 0.000000 
1 1 1    6    0   27 o   5.6030   3.8829 -13.0167   20.592 -13.0167   20.592 -13.0167   20.592   5.6030   3.8829   5.6030   3.8829 0.000000 0.000000 
1 1 1    6    0   28 o   27.376   2.8392  111.583   20.760  111.583   20.760  111.583   20.760   27.376   2.8392   27.376   2.8392 0.000000 0.000000 
1 1 1    6    1    0 o  112.858   1.6034  1745.13   49.529  1745.13   49.529  1745.13   49.529  112.858   1.6034  112.858   1.6034 0.000000 0.000000 
1 1 1    6    1    1 o  258.860   2.3523  9178.30  166.744  9265.45  238.097  9094.42  233.591  260.033   3.3438  257.624   3.3112 2.409149 4.705806 
1 1 1    6    1    2 o  215.893   1.5465  6382.76   91.429  6298.64  132.847  6458.47  126.024  214.444   2.2623  217.153   2.1193 -2.708588 3.099913 
1 1 1    6    1    3 o  128.955   1.0142  2277.03   35.814  2295.86   51.164  2258.93   50.149  129.483   1.4430  128.437   1.4259 1.045410 2.028628 
1 1 1    6    1    4 o   91.243   0.8327  1139.94   20.804  1127.59   30.315  1150.94   28.603   90.745   1.2200   91.680   1.1393 -0.9350967 1.669246 
1 1 1    6    1    5 o  151.486   1.1729  3142.30   48.656  3133.96   68.697  3150.70   68.923  151.278   1.6583  151.681   1.6594 -0.4033661 2.345976 
1 1 1    6    1    6 o  294.654   2.2743 11891.96  183.502 11905.02  248.930 11876.42  271.568  294.768   3.0840  294.394   3.3687 0.3744507 4.567141 
1 1 1    6    1    7 o  175.418   1.4571  4213.89   69.994  4212.44   99.053  4215.33   98.918  175.373   2.0626  175.433   2.0591 -0.6028748E-01 2.914483 
1 1 1    6    1    8 o  232.713   2.1268  7417.75  135.530  7697.41  199.330  7177.30  184.826  237.009   3.0713  228.869   2.9491 8.140167 4.257911 
1 1 1    6    1    9 o  107.053   1.1815  1569.32   34.635  1522.67   50.252  1611.53   47.802  105.441   1.7404  108.477   1.6092 -3.035530 2.370390 
1 1 1    6    1   10 o   63.317   0.8855  548.954   15.354  559.184   21.997  539.234   21.441   63.901   1.2571   62.751   1.2478 1.150169 1.771189 
1 1 1    6    1   11 o   97.459   1.0573  1300.69   28.216  1348.65   39.683  1251.66   40.127   99.232   1.4604   95.595   1.5329 3.636230 2.117169 
1 1 1    6    1   12 o  216.166   1.9807  6403.43  117.246  6365.77  164.821  6442.01  166.820  215.436   2.7938  216.720   2.8110 -1.283875 3.963229 
1 1 1    6    1   13 o   7.7154   3.0835   3.9503   9.8494  -0.1183   13.209   9.0447   14.781   8.0424   3.4227   9.9880   3.8401 -1.945614 5.144045 
1 1 1    6    1   14 o  156.393   1.4748  3352.46   63.161  3371.45   89.834  3333.89   88.821  156.750   2.0929  155.877   2.0809 0.8737183 2.951300 
1 1 1    6    1   15 o   35.750   1.1345  175.130   11.107  193.343   15.131  153.851   16.355   37.552   1.4714   33.439   1.7926 4.112854 2.319141 
1 1 1    6    1   16 o   30.864   1.1880  130.555   10.040  116.487   14.175  144.721   14.224   29.081   1.7886   32.483   1.5991 -3.401392 2.399248 
1 1 1    6    1   17 o   65.520   0.9102  588.155   16.331  617.662   23.575  560.933   22.644   67.121   1.2826   63.964   1.2928 3.157276 1.821105 
1 1 1    6    1   18 o   54.016   0.9546  399.831   14.119  401.183   19.863  398.449   20.074   54.084   1.3412   53.898   1.3601 0.1859016 1.910153 
1 1 1    6    1   19 o   88.270   1.0815  1068.26   26.140  1106.47   35.574  1023.41   38.541   89.787   1.4469   86.323   1.6304 3.464149 2.179838 
1 1 1    6    1   20 o   15.559   3.3490   34.916   13.846   35.115   23.965   34.815   16.964   15.794   4.9683   15.486   3.9790 0.3077517 6.365253 
1 1 1    6    1   21 o   82.524   1.0663  934.221   24.095  930.574   33.845  937.969   34.311   82.286   1.5020   82.610   1.5168 -0.3232651 2.134636 
1 1 1    6    1   22 o   78.738   1.2110  851.272   26.112  850.017   44.195  851.945   32.364   78.471   2.0567   78.710   1.5016 -0.2387619 2.546543 
1 1 1    6    1   23 o   42.448   1.3544  247.818   15.743  246.624   22.255  249.014   22.272   42.248   1.9237   42.454   1.9158 -0.2057533 2.714920 
1 1 1    6    1   24 o   6.6449   3.1228 -14.3591   14.506  -6.7875   18.966 -25.0320   22.517   8.6325   3.8717   8.0052   3.8004 0.6273184 5.425265 
1 1 1    6    1   25 o   10.647   3.7080   15.525   13.263   27.639   18.807   3.5392   18.707   13.544   4.4155   9.6178   4.0825 3.925721 6.013668 
1 1 1    6    1   26 o   42.028   1.3926  245.840   16.027  242.082   21.560  250.482   23.962   41.415   1.9010   42.002   2.0834 -0.5863533 2.820358 
1 1 1    6    1   27 o   20.656   2.7289   64.383   15.057   61.023   18.052   72.065   27.297   19.548   3.5010   19.809   5.0245 -0.2616539 6.123976 
1 1 1    6    1   28 o   18.584   2.6129   52.649   12.929   48.580   16.908   58.379   20.064   16.973   3.7389   18.304   4.1041 -1.331566 5.551845 
1 1 1    6    2    0 o  425.272   4.0926 24783.96  476.501 24783.96  476.501 24783.96  476.501  425.272   4.0926  425.272   4.0926 0.000000 0.000000 
1 1 1    6    2    1 o  199.793   1.8381  5466.68  100.565  5398.91  140.563  5537.74  143.939  198.527   2.5856  201.063   2.6143 -2.535233 3.676948 
1 1 1    6    2    2 o  101.128   0.9959  1400.34   27.579  1259.89   38.895  1542.34   39.110   95.919   1.4808  106.129   1.3457 -10.21001 2.000969 
1 1 1    6    2    3 o  100.273   0.8480  1376.74   23.286  1383.58   33.197  1370.12   32.671  100.520   1.2060  100.030   1.1927 0.4901810 1.696205 
1 1 1    6    2    4 o  194.646   1.5364  5188.28   81.894  5186.59  110.882  5190.31  121.473  194.602   2.0808  194.665   2.2788 -0.6401062E-01 3.085839 
1 1 1    6    2    5 o   76.197   0.7740  794.971   16.150  801.646   22.257  787.547   23.471   76.515   1.0622   75.838   1.1302 0.6762314 1.551049 
1 1 1    6    2    6 o   69.389   0.8068  659.262   15.330  696.192   23.345  631.269   20.326   71.303   1.1956   67.898   1.0932 3.405434 1.620059 
1 1 1    6    2    7 o   79.226   0.8251  859.448   17.900  873.369   25.774  846.477   24.878   79.863   1.1785   78.624   1.1555 1.238991 1.650519 
1 1 1    6    2    8 f  169.031   1.6877  3912.94   78.116  3966.16  122.091  3876.06  101.644  170.146   2.6204  168.217   2.2066 1.928574 3.425750 
1 1 1    6    2    9 o   65.790   0.9887  592.679   17.813  602.630   25.958  583.825   24.487   66.336   1.4290   65.294   1.3696 1.042702 1.979340 
1 1 1    6    2   10 o  157.331   1.4026  3389.90   60.428  3424.54   90.737  3362.28   81.006  158.110   2.0957  156.674   1.8881 1.436371 2.820826 
1 1 1    6    2   11 f   86.704   0.9944  1029.45   23.611  1034.59   32.352  1023.60   34.536   86.914   1.3593   86.449   1.4589 0.4649200 1.994005 
1 1 1    6    2   12 o  189.911   1.7645  4941.77   91.761  4878.08  127.394  5010.44  132.285  188.616   2.4665  191.151   2.5272 -2.534836 3.531355 
1 1 1    6    2   13 o   94.290   1.0666  1217.79   27.541  1238.59   36.993  1191.92   41.251   95.077   1.4209   93.259   1.6153 1.818321 2.151295 
1 1 1    6    2   14 o   66.173   0.8814  599.780   15.971  598.035   22.525  601.544   22.649   66.063   1.2451   66.257   1.2483 -0.1933975 1.763140 
1 1 1    6    2   15 o   20.925   1.7518   60.486   9.9451   53.472   15.281   65.640   13.099   19.491   2.9558   21.748   2.2311 -2.256689 3.703353 
1 1 1    6    2   16 o   83.239   0.9486  949.281   21.622  952.948   30.792  945.714   30.369   83.373   1.3487   83.057   1.3353 0.3160019 1.897892 
1 1 1    6    2   17 o   57.072   1.0567  446.373   16.514  446.514   23.072  446.225   23.646   57.056   1.4767   57.035   1.5140 0.2105331E-01 2.114931 
1 1 1    6    2   18 o   78.482   1.0259  844.188   22.048  816.523   32.678  867.304   29.871   77.135   1.5471   79.517   1.3718 -2.382118 2.067698 
1 1 1    6    2   19 o   40.740   1.1289  227.587   12.594  214.226   17.586  241.655   18.045   39.494   1.6261   41.950   1.5709 -2.456612 2.260942 
1 1 1    6    2   20 o  120.950   1.4278  2008.71   47.289  2005.04   67.022  2012.34   66.731  120.663   2.0284  120.887   2.0159 -0.2237625 2.859746 
1 1 1    6    2   21 o   71.234   1.1031  696.184   21.518  716.923   28.818  670.054   32.348   72.231   1.4570   69.787   1.6927 2.444702 2.233378 
1 1 1    6    2   22 o   53.354   1.1340  390.758   16.569  391.179   23.338  390.331   23.526   53.316   1.5985   53.256   1.6132 0.6028748E-01 2.271081 
1 1 1    6    2   23 f   16.406   3.1657   38.982   13.706   62.529   19.833   17.455   18.963   20.754   3.6215   12.037   4.4061 8.717024 5.703390 
1 1 1    6    2   24 o   8.3674   3.5738   0.7671   14.495 -27.3863   18.913   40.845   22.565   6.9231   3.3384   16.375   4.7527 -9.452026 5.808038 
1 1 1    6    2   25 o   20.031   2.6942   58.075   14.403   58.092   21.921   58.062   19.106   19.319   4.2583   19.590   3.6971 -0.2706318 5.639333 
1 1 1    6    2   26 o   18.682   2.8725   52.168   14.225   45.513   21.368   57.464   19.062   16.457   4.5759   19.079   3.7823 -2.622173 5.936738 
1 1 1    6    2   27 o   26.220   1.9482   98.947   13.888   97.823   18.074  100.568   21.701   25.582   2.6169   25.451   3.1834 0.1314049 4.120922 
1 1 1    6    2   28 o   18.708   2.4292   52.659   12.151   61.990   17.344   43.665   17.028   19.579   3.3557   15.888   3.9344 3.690540 5.171052 
1 1 1    6    3    0 o  144.516   1.7189  2861.02   68.003  2861.02   68.003  2861.02   68.003  144.516   1.7189  144.516   1.7189 0.000000 0.000000 
1 1 1    6    3    1 o   36.949   1.3387  186.945   13.545  170.325   20.111  200.742   18.324   35.203   2.0958   38.286   1.7478 -3.083782 2.728914 
1 1 1    6    3    2 o   88.194   1.0888  1065.07   26.295  1128.73   42.244  1024.80   33.597   90.787   1.6992   86.509   1.4182 4.278000 2.213314 
1 1 1    6    3    3 o  217.482   1.6987  6477.26  101.167  6491.80  150.468  6465.27  136.668  217.699   2.5240  217.262   2.2972 0.4369659 3.412886 
1 1 1    6    3    4 o  210.671   1.6484  6077.91   95.094  6182.81  143.501  5995.78  126.976  212.456   2.4666  209.227   2.2162 3.229523 3.315966 
1 1 1    6    3    5 o  113.204   1.1590  1754.81   35.927  1687.16   49.964  1827.24   51.697  110.995   1.6439  115.511   1.6344 -4.516037 2.318064 
1 1 1    6    3    6 o   77.280   1.5580  817.856   32.971  484.950   43.103  1287.38   51.189   59.497   2.6456   96.952   1.9281 -37.45501 3.273649 
1 1 1    6    3    7 o   93.954   1.2317  1208.77   31.689  1344.76   45.172  1077.00   44.465   99.093   1.6647   88.678   1.8311 10.41491 2.474714 
1 1 1    6    3    8 f  161.835   1.7433  3586.96   77.258  3614.53  134.843  3573.49   94.265  162.410   3.0320  161.520   2.1312 0.8901062 3.706097 
1 1 1    6    3    9 o  102.271   1.1255  1432.25   31.520  1490.54   42.944  1364.17   46.411  104.325   1.5032   99.802   1.6982 4.523521 2.267963 
1 1 1    6    3   10 f  203.868   1.7734  5692.89   99.004  5786.08  150.053  5621.04  131.752  205.478   2.6668  202.545   2.3755 2.932648 3.571353 
1 1 1    6    3   11 o  165.244   1.4654  3740.07   66.309  3722.59   98.208  3754.72   89.893  164.819   2.1760  165.541   1.9830 -0.7217865 2.944030 
1 1 1    6    3   12 o   56.565   1.2186  438.251   18.875  450.816   23.033  412.560   32.936   57.365   1.4663   54.857   2.1925 2.507587 2.637645 
1 1 1    6    3   13 o  102.932   1.2194  1451.50   34.371  1572.10   63.684  1401.93   40.827  107.053   2.1724  101.145   1.4741 5.907928 2.625312 
1 1 1    6    3   14 o   29.502   1.1901  119.260   9.6144  124.395   13.635  114.182   13.559   30.073   1.6622   28.802   1.7271 1.270443 2.397023 
1 1 1    6    3   15 o  108.258   1.0993  1605.93   32.589  1602.73   46.084  1609.13   46.092  108.107   1.5567  108.323   1.5539 -0.2158356 2.199518 
1 1 1    6    3   16 o  136.537   1.3158  2555.69   49.194  2560.19   69.752  2551.23   69.391  136.571   1.8651  136.333   1.8587 0.2378235 2.633177 
1 1 1    6    3   17 o  119.729   1.2805  1965.42   41.983  1982.83   55.883  1942.85   63.610  120.195   1.6979  118.930   1.9532 1.264664 2.587983 
1 1 1    6    3   18 o  135.765   1.3281  2528.18   49.376  2561.37   70.752  2496.66   68.941  136.528   1.8925  134.798   1.8677 1.729492 2.658880 
1 1 1    6    3   19 o   60.670   0.9755  504.554   16.207  512.740   23.026  496.516   22.816   61.125   1.3756   60.149   1.3852 0.9758224 1.952233 
1 1 1    6    3   20 f   31.166   1.7318  133.977   14.722  131.733   21.190  136.071   20.468   30.773   2.5373   31.303   2.4062 -0.5304222 3.496803 
1 1 1    6    3   21 o   83.986   1.1309  967.911   26.009  1021.67   41.057  931.880   33.614   86.157   1.7402   82.341   1.4908 3.815704 2.291485 
1 1 1    6    3   22 o   19.695   2.5389   54.666   13.374   57.826   18.918   51.510   18.909   20.007   3.5846   18.803   3.8032 1.204550 5.226272 
1 1 1    6    3   23 o   51.490   1.2741  364.572   17.965  355.140   27.201  371.869   23.926   50.670   1.9604   51.919   1.6829 -1.249260 2.583639 
1 1 1    6    3   24 o   74.481   1.1604  763.528   23.667  785.601   31.487  734.865   35.881   75.407   1.5249   72.802   1.7998 2.604172 2.358941 
1 1 1    6    3   25 o   8.3145   3.5529   1.5784   14.338   7.5116   22.278  -2.6175   18.735   10.729   4.4990   8.8487   3.9154 1.879900 5.964231 
1 1 1    6    3   26 o   27.629   1.8430  108.252   13.864  111.409   19.465  105.002   19.750   27.565   2.6099   26.663   2.7443 0.9018955 3.787158 
1 1 1    6    3   27 o   7.3083   3.4078  -9.7075   16.721 -14.9154   19.025   7.9770   35.058   7.4111   3.5111   11.489   5.1982 -4.077624 6.272920 
1 1 1    6    4    0 o  402.961   4.5989 22257.27  507.312 22257.27  507.312 22257.27  507.312  402.961   4.5989  402.961   4.5989 0.000000 0.000000 
1 1 1    6    4    1 o  345.627   2.9383 16365.70  278.097 16129.59  411.147 16564.82  377.572  343.000   4.3774  347.638   3.9663 -4.638092 5.907011 
1 1 1    6    4    2 o  276.286   2.2392 10455.11  169.409 10616.28  243.330 10303.50  236.000  278.357   3.1923  274.228   3.1428 4.128265 4.479704 
1 1 1    6    4    3 o  137.422   1.6955  2586.20   63.802  3734.13  144.023  2305.91   71.167  165.085   3.1859  129.756   2.0029 35.32825 3.763213 
1 1 1    6    4    4 f  275.133   2.2303 10368.31  168.031 10474.60  240.492 10266.93  234.870  276.487   3.1764  273.735   3.1333 2.751770 4.461779 
1 1 1    6    4    5 o   23.843   1.5066   78.163   9.7860   96.392   13.718   59.274   13.964   26.461   1.9060   20.648   2.5222 5.812918 3.161335 
1 1 1    6    4    6 o  180.114   1.6843  4442.79   83.075  4170.85  111.634  4780.30  124.365  174.495   2.3363  186.807   2.4312 -12.31091 3.371764 
1 1 1    6    4    7 o  178.882   1.7642  4382.43   86.416  4448.94  133.955  4335.01  113.097  180.200   2.7147  177.893   2.3217 2.306427 3.572051 
1 1 1    6    4    8 o   90.569   1.0375  1123.22   25.730  1171.88   40.996  1091.59   33.050   92.503   1.6185   89.281   1.3518 3.221306 2.108744 
1 1 1    6    4    9 o   35.872   1.1864  176.215   11.654  164.802   15.882  189.529   17.155   34.688   1.6720   37.200   1.6841 -2.511368 2.373132 
1 1 1    6    4   10 o   75.100   0.8716  772.295   17.924  758.007   25.749  785.728   24.967   74.397   1.2639   75.746   1.2037 -1.348991 1.745387 
1 1 1    6    4   11 o  115.076   1.1395  1813.62   35.909  1795.95   50.320  1831.95   51.259  114.498   1.6049  115.639   1.6187 -1.141350 2.279476 
1 1 1    6    4   12 o   15.804   3.1081   35.492   12.971   32.799   16.017   40.625   22.112   15.153   3.8518   16.905   4.6371 -1.752563 6.028184 
1 1 1    6    4   13 o   8.3205   3.0032   7.8962   8.7658   7.0998   12.627   8.6370   12.178   9.1068   3.5359   9.3034   3.5072 -0.1965818 4.980285 
1 1 1    6    4   14 o   78.068   0.8937  834.857   19.106  861.094   28.080  812.241   26.071   79.264   1.2937   76.986   1.2367 2.277939 1.789717 
1 1 1    6    4   15 o   81.097   0.9312  900.992   20.678  908.430   29.335  893.647   29.153   81.407   1.3159   80.742   1.3186 0.6653137 1.862872 
1 1 1    6    4   16 o   47.456   0.9881  308.579   12.841  309.630   19.603  307.789   16.995   47.514   1.5067   47.382   1.3098 0.1314964 1.996438 
1 1 1    6    4   17 o   91.048   1.1649  1136.38   29.044  1164.16   41.483  1109.67   40.676   92.100   1.6448   89.917   1.6520 2.182327 2.331216 
1 1 1    6    4   18 o   59.829   1.0215  490.641   16.735  526.839   26.478  466.560   21.596   61.951   1.5608   58.318   1.3523 3.632908 2.065135 
1 1 1    6    4   19 o   54.923   1.0007  413.548   15.051  430.607   21.512  397.191   21.065   56.009   1.4026   53.790   1.4301 2.219784 2.003135 
1 1 1    6    4   20 o   25.927   2.0714   93.217   14.584   89.342   21.347   96.609   19.970   25.164   3.1681   26.259   2.8214 -1.094788 4.242359 
1 1 1    6    4   21 o   27.969   1.9154  108.301   14.582  100.135   18.897  120.320   22.925   26.758   2.6123   29.289   2.8964 -2.530794 3.900392 
1 1 1    6    4   22 o   65.097   1.0744  581.654   19.152  610.658   27.611  554.760   26.589   66.619   1.5135   63.494   1.5292 3.125504 2.151589 
1 1 1    6    4   23 o   22.979   2.4328   74.295   15.075   87.024   23.500   65.394   19.652   24.527   3.6065   21.234   3.5017 3.292946 5.026848 
1 1 1    6    4   24 o   24.472   2.3704   84.664   15.686   86.433   21.560   82.674   22.863   24.374   3.3163   23.691   3.6408 0.6832104 4.924738 
1 1 1    6    4   25 o   17.343   3.1614   44.983   14.461   60.090   22.107   33.685   19.118   19.523   4.2552   14.592   4.4107 4.930885 6.128736 
1 1 1    6    4   26 o   20.378   2.6127   61.472   14.243   65.040   22.398   59.049   18.456   19.833   4.2517   19.337   3.6185 0.4969101 5.583093 
1 1 1    6    4   27 o   17.825   2.9919   49.434   14.086   51.095   17.044   45.857   25.017   17.632   3.6504   15.423   5.0959 2.209085 6.268408 
1 1 1    6    5    0 o  383.521   4.0007 20157.39  420.053 20157.39  420.053 20157.39  420.053  383.521   4.0007  383.521   4.0007 0.000000 0.000000 
1 1 1    6    5    1 o  163.490   1.3654  3660.20   61.130  3793.46  101.075  3583.34   76.761  166.421   2.2179  161.758   1.7329 4.663193 2.814648 
1 1 1    6    5    2 o  230.561   1.9849  7280.48  125.320  7886.17  235.556  7041.36  148.004  239.879   3.5860  226.728   2.3838 13.15073 4.306078 
1 1 1    6    5    3 o  294.148   2.5223 11852.45  203.169 12790.93  329.317 11275.74  258.154  305.461   3.9370  286.852   3.2865 18.60928 5.128458 
1 1 1    6    5    4 o  221.533   2.1778  6722.05  132.110  6592.94  172.011  6907.73  206.289  219.364   2.8635  224.512   3.3554 -5.148041 4.411192 
1 1 1    6    5    5 o  174.577   1.6318  4173.76   78.009  4279.46  113.581  4079.38  107.329  176.752   2.3467  172.574   2.2712 4.178818 3.265741 
1 1 1    6    5    6 o  231.409   1.9976  7334.62  126.583  7254.47  188.653  7400.25  170.717  230.090   2.9942  232.409   2.6825 -2.319016 4.020045 
1 1 1    6    5    7 o   54.258   0.9689  403.107   14.396  356.896   19.311  460.915   21.598   51.051   1.3814   58.015   1.3595 -6.964611 1.938156 
1 1 1    6    5    8 o  195.977   1.7995  5260.51   96.568  5275.63  137.048  5245.59  136.094  196.222   2.5505  195.663   2.5400 0.5589905 3.599600 
1 1 1    6    5    9 o  141.039   1.3613  2724.24   52.575  2796.80   74.867  2653.64   73.848  142.887   1.9134  139.181   1.9376 3.705750 2.723142 
1 1 1    6    5   10 o   45.967   0.9848  289.359   12.396  328.232   20.103  265.509   15.746   48.952   1.4997   44.029   1.3060 4.922737 1.988645 
1 1 1    6    5   11 o  115.247   1.1587  1819.18   36.566  1809.98   50.461  1829.35   53.061  114.937   1.6033  115.546   1.6770 -0.6095505 2.320096 
1 1 1    6    5   12 o  104.223   1.1722  1488.05   33.454  1479.95   49.170  1495.02   45.647  103.907   1.7281  104.443   1.5960 -0.5364075 2.352374 
1 1 1    6    5   13 o  131.894   1.2923  2383.96   46.673  2407.28   65.424  2359.78   66.604  132.482   1.8034  131.162   1.8544 1.320007 2.586714 
1 1 1    6    5   14 o   48.376   0.8730  320.575   11.565  319.318   16.484  321.794   16.230   48.269   1.2471   48.456   1.2232 -0.1877213 1.746822 
1 1 1    6    5   15 o   30.629   1.1663  128.567   9.7823  137.330   13.804  119.728   13.864   31.601   1.6004   29.490   1.7244 2.111303 2.352625 
1 1 1    6    5   16 o   92.555   1.0075  1173.87   25.535  1163.43   36.108  1184.31   36.117   92.105   1.4316   92.929   1.4193 -0.8243866 2.015913 
1 1 1    6    5   17 o   56.854   1.1042  443.071   17.191  463.464   24.685  423.864   23.956   58.115   1.5512   55.575   1.5742 2.540058 2.210004 
1 1 1    6    5   18 o   20.294   2.1129   57.278   11.569   70.891   17.787   47.295   15.232   22.453   2.9654   18.228   3.1664 4.225601 4.338218 
1 1 1    6    5   19 o   43.925   1.1300  264.620   13.592  290.817   19.708  240.862   18.769   46.011   1.5642   41.867   1.6371 4.144444 2.264284 
1 1 1    6    5   20 o   8.4223   3.5845   0.3689   14.489  -4.0522   26.721   2.2101   17.244   10.861   4.7451   9.4077   3.9524 1.453457 6.175523 
1 1 1    6    5   21 f  102.747   1.3075  1450.05   36.788  1462.62   45.338  1425.82   62.942  103.107   1.6058  101.562   2.2632 1.545837 2.775001 
1 1 1    6    5   22 o   25.423   2.0125   89.866   13.896   95.975   19.660   83.768   19.644   26.101   2.7941   24.307   3.0160 1.793951 4.111396 
1 1 1    6    5   23 o   20.058   2.5124   56.998   13.497   45.796   19.170   68.008   19.005   17.510   4.0745   21.696   3.3033 -4.185244 5.245301 
1 1 1    6    5   24 o   34.945   1.5770  169.160   15.091  178.188   23.592  162.908   19.633   35.502   2.4416   34.075   2.1145 1.427631 3.229915 
1 1 1    6    5   25 o   20.033   2.8701   59.231   15.295   70.400   21.536   47.863   21.726   21.319   3.8298   17.111   4.5559 4.208036 5.951783 
1 1 1    6    5   26 o   17.977   3.0824   49.747   14.628   59.670   21.059   40.496   20.333   18.906   4.1789   15.268   4.5338 3.638075 6.165917 
1 1 1    6    5   27 o   9.2593   3.4789   12.114   11.962   16.815   16.696   7.1550   17.148   10.581   4.0777   9.1779   3.9027 1.402972 5.644316 
1 1 1    6    6    0 o   57.470   1.6416  453.359   25.786  453.359   25.786  453.359   25.786   57.470   1.6416   57.470   1.6416 0.000000 0.000000 
1 1 1    6    6    1 o  102.720   0.9447  1444.77   26.573  1602.59   48.020  1375.10   31.903  108.177   1.6211  100.211   1.1626 7.966507 1.994862 
1 1 1    6    6    2 o  176.336   1.4657  4258.13   70.775  4136.58  109.933  4344.17   92.493  173.779   2.3102  178.098   1.8965 -4.319717 2.988932 
1 1 1    6    6    3 o  247.306   1.8390  8376.30  124.536  8321.96  175.480  8431.43  176.769  246.469   2.6000  248.084   2.6021 -1.615555 3.678420 
1 1 1    6    6    4 o  351.046   2.5860 16882.71  248.590 16712.29  348.402 17059.45  354.803  349.169   3.6438  352.774   3.6728 -3.604675 5.173689 
1 1 1    6    6    5 o  158.873   1.4165  3456.54   61.625  3642.75   98.349  3336.18   79.073  163.075   2.2024  156.073   1.8502 7.002640 2.876390 
1 1 1    6    6    6 o  191.799   1.5901  5038.06   83.512  5061.78  119.333  5015.29  116.913  192.226   2.2670  191.342   2.2313 0.8833466 3.180922 
1 1 1    6    6    7 o  173.361   1.8742  4116.54   88.975  4110.38  157.948  4119.41  107.686  173.156   3.3311  173.405   2.2678 -0.2487030 4.029788 
1 1 1    6    6    8 o   41.927   0.9642  240.713   11.070  250.589   17.600  234.248   14.239   42.775   1.5025   41.358   1.2573 1.416389 1.959190 
1 1 1    6    6    9 o   95.582   1.0657  1251.13   27.894  1254.43   36.780  1246.66   42.798   95.702   1.4035   95.398   1.6383 0.3031082 2.157243 
1 1 1    6    6   10 o  149.727   1.4217  3070.96   58.289  3106.51   82.577  3035.65   82.289  150.555   2.0030  148.826   2.0192 1.728165 2.844110 
1 1 1    6    6   11 o   51.570   0.8552  364.213   12.076  369.223   17.363  359.517   16.808   51.916   1.2213   51.230   1.1981 0.6864510 1.710854 
1 1 1    6    6   12 o   30.518   1.3061  127.626   10.915  112.892   15.056  143.946   15.846   28.624   1.9322   32.350   1.7959 -3.725468 2.637909 
1 1 1    6    6   13 o   26.454   1.2462   95.911   9.0275  113.612   12.740   78.061   12.794   28.737   1.6257   23.767   1.9839 4.970373 2.564919 
1 1 1    6    6   14 o   59.027   0.8479  477.281   13.706  460.568   19.289  494.324   19.479   57.970   1.2151   60.058   1.1844 -2.088261 1.696838 
1 1 1    6    6   15 o   45.683   0.9062  285.918   11.337  281.567   15.954  290.356   16.113   45.320   1.2856   46.022   1.2785 -0.7022285 1.813079 
1 1 1    6    6   16 o   90.045   1.1077  1111.32   27.313  1094.28   47.749  1119.61   33.300   89.253   1.9537   90.358   1.3458 -1.105003 2.372332 
1 1 1    6    6   17 o   25.105   1.7622   86.992   12.038   79.075   16.418   96.195   17.702   23.818   2.5573   26.308   2.4868 -2.489803 3.567038 
1 1 1    6    6   18 o   55.400   1.0480  420.795   15.899  447.322   25.047  402.894   20.576   57.068   1.6028   54.182   1.3868 2.886700 2.119456 
1 1 1    6    6   19 o   49.747   1.1152  339.454   15.192  345.275   20.414  332.227   22.744   50.137   1.4869   49.158   1.6896 0.9792671 2.250671 
1 1 1    6    6   20 o   40.143   1.2478  221.224   13.717  205.876   19.097  237.580   19.714   38.669   1.8035   41.549   1.7327 -2.879707 2.500989 
1 1 1    6    6   21 o   20.157   2.5148   57.173   13.579   60.525   17.525   52.136   21.480   20.582   3.2144   18.820   4.2665 1.762533 5.341820 
1 1 1    6    6   22 o   30.779   1.6664  131.001   13.993  146.451   19.795  115.570   19.783   32.424   2.2432   28.711   2.5425 3.712755 3.390635 
1 1 1    6    6   23 o   58.345   1.1613  468.370   18.555  481.852   28.540  458.499   24.420   58.990   1.7668   57.618   1.5477 1.372051 2.348815 
1 1 1    6    6   24 f   30.284   1.7552  128.087   14.493  163.723   22.873  104.180   18.734   33.934   2.4787   26.995   2.5652 6.938818 3.567073 
1 1 1    6    6   25 o   11.363   3.7600   19.599   13.618   10.869   20.456   26.547   18.251   10.617   4.3690   12.958   4.3543 -2.341173 6.168348 
1 1 1    6    6   26 o   12.737   3.7692   26.751   14.071   25.559   20.013   27.917   19.787   12.418   4.5292   12.821   4.5247 -0.4031696 6.402099 
1 1 1    6    6   27 o   25.155   1.8058   91.071   12.356  124.452   17.681   59.212   17.274   29.057   2.2394   19.089   3.4306 9.968164 4.096834 
1 1 1    6    7    0 o   46.916   0.9072  301.724   11.645  301.724   11.645  301.724   11.645   46.916   0.9072   46.916   0.9072 0.000000 0.000000 
1 1 1    6    7    1 o  102.519   1.0410  1439.16   29.225  1402.06   43.779  1468.99   39.252  101.182   1.5801  103.572   1.3840 -2.389763 2.100477 
1 1 1    6    7    2 o  214.633   1.7587  6309.18  103.364  6555.02  170.829  6167.19  129.827  218.724   2.8522  212.185   2.2344 6.538818 3.623174 
1 1 1    6    7    3 o  190.672   1.5062  4978.81   78.642  4761.86  112.348  5187.23  110.119  186.449   2.2005  194.604   2.0664 -8.154816 3.018640 
1 1 1    6    7    4 o   95.597   1.4468  1251.51   37.874  939.929   54.751  1537.40   52.446   82.831   2.4138  105.949   1.8077 -23.11714 3.015697 
1 1 1    6    7    5 f  182.778   1.6092  4575.42   80.540  4670.23  110.768  4469.07  117.315  184.640   2.1908  180.611   2.3720 4.028458 3.228931 
1 1 1    6    7    6 f   28.298   1.2599  109.659   9.7631  127.544   15.823   98.663   12.406   30.455   1.9069   26.786   1.7003 3.669390 2.554811 
1 1 1    6    7    7 o  160.367   1.6197  3522.46   71.127  3657.91  114.911  3438.34   90.560  163.375   2.5685  158.421   2.0875 4.954376 3.309860 
1 1 1    6    7    8 o  122.629   1.1544  2059.45   38.766  2088.33   59.618  2038.29   51.027  123.466   1.7634  121.987   1.5276 1.479515 2.332989 
1 1 1    6    7    9 o   87.122   0.9204  1039.45   21.958  1064.30   32.398  1018.35   29.863   88.147   1.3422   86.225   1.2648 1.921921 1.844234 
1 1 1    6    7   10 o   51.651   0.8782  365.358   12.421  375.796   17.339  354.355   17.802   52.377   1.2089   50.860   1.2782 1.517529 1.759327 
1 1 1    6    7   11 o   28.443   1.2238  110.842   9.5321  120.064   14.845  104.373   12.434   29.533   1.8449   27.543   1.6562 1.989466 2.479287 
1 1 1    6    7   12 o   73.933   1.1183  748.944   22.640  819.106   39.093  713.535   27.772   77.269   1.8476   72.148   1.4057 5.120735 2.321528 
1 1 1    6    7   13 o   69.784   0.9128  667.122   17.443  677.428   27.152  659.880   22.760   70.294   1.4106   69.390   1.1978 0.9037399 1.850527 
1 1 1    6    7   14 o   24.768   1.4126   84.387   9.5414   69.557   12.607  104.272   14.598   22.409   2.0780   27.490   1.9519 -5.080839 2.851024 
1 1 1    6    7   15 o   61.300   0.9151  514.844   15.360  526.625   23.559  506.133   20.258   61.970   1.3883   60.763   1.2175 1.206673 1.846553 
1 1 1    6    7   16 o   81.947   0.9482  920.233   21.279  926.746   30.574  914.115   29.633   82.200   1.3583   81.641   1.3255 0.5586700 1.897861 
1 1 1    6    7   17 o   35.402   1.2411  171.898   12.032  203.302   18.337  148.157   15.944   38.468   1.7408   32.788   1.7825 5.679676 2.491488 
1 1 1    6    7   18 o   27.557   1.8565  104.915   13.928  118.184   17.831   84.151   22.305   29.197   2.2475   24.372   3.4376 4.824728 4.107077 
1 1 1    6    7   19 o   47.217   1.1011  305.839   14.237  308.275   19.841  303.254   20.439   47.363   1.5298   46.969   1.5891 0.3940582 2.205832 
1 1 1    6    7   20 o   30.416   1.5469  127.547   12.841  143.149   17.863  110.862   18.472   32.148   2.0397   28.204   2.4150 3.944092 3.161134 
1 1 1    6    7   21 o   59.753   1.1407  490.240   18.665  486.573   24.366  495.447   29.037   59.468   1.4963   59.950   1.7688 -0.4817848 2.316787 
1 1 1    6    7   22 o   46.265   1.2743  294.439   16.144  302.675   21.488  283.767   24.461   46.827   1.6757   45.271   1.9732 1.556728 2.588728 
1 1 1    6    7   23 o   30.751   1.8557  131.808   15.553  138.605   21.075  123.678   23.049   31.325   2.4771   29.412   2.8995 1.912840 3.813557 
1 1 1    6    7   24 o   18.631   2.5068   50.209   12.465   48.570   17.806   51.785   17.455   17.761   3.7772   18.449   3.5842 -0.6874466 5.207072 
1 1 1    6    7   25 o   5.6167   2.7262 -19.7355   13.141 -22.0752   20.111 -17.9925   17.358   7.3010   3.5004   6.9205   3.3000 0.3804202 4.810678 
1 1 1    6    7   26 o   9.1094   3.4391   11.306   11.720   5.4477   16.442   17.359   16.712   8.8971   3.8033   10.756   4.0955 -1.858479 5.589111 
1 1 1    6    8    0 o   72.320   1.8343  717.615   36.273  717.615   36.273  717.615   36.273   72.320   1.8343   72.320   1.8343 0.000000 0.000000 
1 1 1    6    8    1 o  170.750   1.2980  3992.61   60.690  4064.30   87.734  3926.82   84.043  172.260   1.8599  169.323   1.8126 2.936874 2.597064 
1 1 1    6    8    2 o  219.613   2.3397  6607.48  140.704  6413.83  194.183  6821.55  204.162  216.309   3.2783  223.073   3.3422 -6.764084 4.681643 
1 1 1    6    8    3 f   94.436   0.9902  1221.20   25.606  1134.33   48.915  1253.98   30.053   91.001   1.9629   95.694   1.1469 -4.692902 2.273405 
1 1 1    6    8    4 o   80.551   0.7773  888.456   17.145  883.011   25.648  892.856   23.054   80.301   1.1664   80.748   1.0426 -0.4477081 1.564429 
1 1 1    6    8    5 o  234.270   1.9219  7518.05  123.291  7218.67  168.372  7864.16  181.036  229.505   2.6791  239.539   2.7599 -10.03441 3.846403 
1 1 1    6    8    6 o   83.474   0.9537  954.161   21.799  896.851   30.743  1012.12   30.916   80.921   1.3874   85.966   1.3133 -5.044327 1.910391 
1 1 1    6    8    7 o  143.342   1.4515  2814.42   56.974  2988.87   92.568  2708.03   72.289  147.671   2.2891  140.586   1.8777 7.084869 2.960766 
1 1 1    6    8    8 o   55.490   0.9782  421.694   14.864  397.075   25.831  433.883   18.175   53.831   1.7523   56.283   1.1792 -2.451866 2.112178 
1 1 1    6    8    9 o   67.088   1.0288  616.464   18.900  633.330   32.439  607.796   23.254   67.977   1.7427   66.609   1.2749 1.368576 2.159235 
1 1 1    6    8   10 o   41.452   0.9741  235.367   11.058  265.684   15.151  200.810   16.175   44.035   1.2565   38.276   1.5432 5.758698 1.990044 
1 1 1    6    8   11 o   38.252   0.9433  200.447   9.8811  201.045   14.053  199.863   13.896   38.299   1.3399   38.187   1.3289 0.1123886 1.887174 
1 1 1    6    8   12 o  222.452   2.1956  6796.63  133.743  6655.96  198.602  6913.36  180.916  219.706   3.3011  224.073   2.9485 -4.367523 4.426105 
1 1 1    6    8   13 f   27.627   1.1678  104.605   8.8345   98.104   12.383  111.344   12.608   26.687   1.7034   28.444   1.6254 -1.757616 2.354443 
1 1 1    6    8   14 o   27.865   1.3323  106.460   10.166  111.160   12.971   98.978   16.367   28.413   1.6745   26.739   2.2564 1.673765 2.809889 
1 1 1    6    8   15 o   66.733   1.0014  610.280   18.299  621.719   26.117  599.249   25.647   67.325   1.4167   66.097   1.4170 1.227890 2.003713 
1 1 1    6    8   16 o   14.441   2.5891   29.613   9.8624   22.668   13.785   36.896   14.116   12.667   3.7257   16.033   3.3242 -3.366020 4.993134 
1 1 1    6    8   17 o   16.565   2.3348   38.555   10.297   57.943   14.857   20.635   14.283   20.297   2.7434   12.218   3.8344 8.079521 4.714737 
1 1 1    6    8   18 f   10.602   3.7685   13.659   13.749 -17.6305   22.510   32.279   17.365   8.6931   4.0191   14.936   4.1145 -6.242843 5.751740 
1 1 1    6    8   19 o   54.141   1.1136  402.191   16.510  407.912   25.191  397.884   21.858   54.449   1.6895   53.806   1.4835 0.6434097 2.248410 
1 1 1    6    8   20 o   40.981   1.2323  230.637   13.829  232.561   19.332  228.622   19.790   41.093   1.7180   40.735   1.7741 0.3573647 2.469645 
1 1 1    6    8   21 o   28.042   1.9046  109.122   14.538  123.521   18.696   87.096   23.122   29.752   2.3129   24.616   3.5313 5.136023 4.221371 
1 1 1    6    8   22 o   13.341   3.7049   26.313   14.017   22.051   19.520   30.849   20.141   12.806   4.4963   14.482   4.5546 -1.675840 6.400105 
1 1 1    6    8   23 f   17.305   3.0332   43.992   13.850   49.279   17.999   36.318   21.685   18.048   3.7638   15.302   4.7119 2.745933 6.030660 
1 1 1    6    8   24 o   17.264   2.7347   44.039   12.497   39.345   17.411   49.029   17.949   15.698   4.0297   17.676   3.8198 -1.977162 5.552430 
1 1 1    6    8   25 o   25.156   2.2571   92.149   15.382  108.971   24.966   81.855   19.529   26.282   3.5608   23.047   3.1790 3.234245 4.773393 
1 1 1    6    8   26 f   23.885   1.8784   82.322   12.187   80.238   17.140   84.453   17.331   22.900   2.7911   23.543   2.7396 -0.6430855 3.910928 
1 1 1    6    9    0 o  216.355   3.2493  6417.80  192.412  6417.80  192.412  6417.80  192.412  216.355   3.2493  216.355   3.2493 0.000000 0.000000 
1 1 1    6    9    1 o   43.172   0.9599  255.221   11.348  625.972   39.332  221.560   11.852   67.595   2.1249   40.224   1.0760 27.37170 2.381803 
1 1 1    6    9    2 o   59.929   0.8177  491.776   13.419  610.226   27.304  454.055   15.408   66.749   1.4938   57.583   0.9772 9.166344 1.784995 
1 1 1    6    9    3 o  181.380   1.6852  4506.37   83.700  4838.46  148.427  4351.52  101.352  187.867   2.8852  178.217   2.0768 9.649811 3.554911 
1 1 1    6    9    4 o  153.331   1.3806  3220.05   57.967  3327.09   81.999  3113.12   81.958  155.835   1.9216  150.737   1.9855 5.097473 2.763110 
1 1 1    6    9    5 o   83.421   0.8638  952.963   19.732  978.714   31.684  936.649   25.219   84.531   1.3688   82.700   1.1136 1.831322 1.764575 
1 1 1    6    9    6 o  121.515   1.0308  2022.22   34.301  1987.20   50.986  2051.17   46.361  120.438   1.5459  122.369   1.3836 -1.930153 2.074647 
1 1 1    6    9    7 o   66.688   0.8794  609.047   16.059  587.184   25.237  623.923   20.817   65.468   1.4077   67.492   1.1264 -2.024223 1.802899 
1 1 1    6    9    8 o   65.578   0.9285  589.003   16.673  577.778   24.895  598.134   22.452   64.936   1.4000   66.076   1.2409 -1.139305 1.870788 
1 1 1    6    9    9 o  138.042   1.3299  2611.27   50.273  2633.06   81.343  2597.80   63.948  138.523   2.1444  137.649   1.6965 0.8737335 2.734377 
1 1 1    6    9   10 o   59.950   0.8978  492.319   14.739  488.401   19.206  497.933   22.990   59.701   1.1748   60.271   1.3929 -0.5697556 1.822199 
1 1 1    6    9   11 o   21.821   1.5135   65.606   8.9880   55.369   11.488   81.758   14.431   19.967   2.1342   24.300   2.1922 -4.333134 3.059519 
1 1 1    6    9   12 o   22.720   1.5960   71.151   9.8666   72.092   13.587   70.101   14.352   22.803   2.2033   22.460   2.3693 0.3426380 3.235451 
1 1 1    6    9   13 o   64.232   0.8442  565.196   14.849  568.299   21.302  562.265   20.709   64.389   1.2082   64.048   1.1808 0.3411484 1.689334 
1 1 1    6    9   14 o   17.927   1.9150   44.644   9.2558   58.590   13.613   32.654   12.622   20.485   2.4772   15.101   3.1542 5.383404 4.010616 
1 1 1    6    9   15 o   22.399   1.6534   69.257   10.070   57.532   13.471   84.107   15.160   20.288   2.4762   24.617   2.2747 -4.329182 3.362369 
1 1 1    6    9   16 o   37.253   1.1881  190.338   12.120  189.401   15.668  191.733   19.125   37.140   1.5406   37.296   1.8786 -0.1555176 2.429554 
1 1 1    6    9   17 o   39.266   1.1388  211.489   12.245  209.315   17.304  213.669   17.331   39.028   1.6191   39.433   1.6049 -0.4050598 2.279794 
1 1 1    6    9   18 o   17.003   2.7186   41.022   12.231   32.792   18.422   47.510   16.357   15.051   4.2714   18.175   3.4120 -3.123960 5.466839 
1 1 1    6    9   19 o   70.149   1.0620  675.173   20.401  722.690   32.349  643.796   26.287   72.473   1.6300   68.446   1.4025 4.026306 2.150365 
1 1 1    6    9   20 o   10.509   3.5769   14.498   12.317   8.7766   17.210   20.506   17.635   10.320   4.0914   12.452   4.2793 -2.132086 5.920418 
1 1 1    6    9   21 o   15.357   3.2911   34.503   13.424   26.786   17.647   45.101   20.681   13.621   4.2600   17.345   4.3592 -3.723701 6.095117 
1 1 1    6    9   22 f   41.258   1.3122  234.758   14.825  258.135   22.309  216.270   19.839   43.097   1.8903   39.464   1.8358 3.632702 2.635047 
1 1 1    6    9   23 o   16.424   3.1419   40.320   13.616   52.754   17.800   22.784   21.138   18.616   3.6220   12.713   4.6521 5.903574 5.895878 
1 1 1    6    9   24 o   37.041   1.3479  191.067   13.672  225.941   19.609  158.072   19.073   40.025   1.7891   33.234   2.1067 6.791584 2.763916 
1 1 1    6    9   25 o   9.7438   3.8218   12.432   14.867   48.489   34.492   4.2041   16.477   15.347   5.8742   8.7620   3.7775 6.584593 6.983920 
1 1 1    6   10    0 o  287.781   3.7005 11360.89  291.511 11360.89  291.511 11360.89  291.511  287.781   3.7005  287.781   3.7005 0.000000 0.000000 
1 1 1    6   10    1 o   80.187   0.9599  880.550   21.077  930.490   31.929  841.979   28.060   82.420   1.4147   78.405   1.3069 4.015556 1.925993 
1 1 1    6   10    2 o  107.875   1.0471  1593.70   30.931  1655.77   45.437  1540.10   42.225  109.941   1.5093  106.034   1.4542 3.907745 2.095863 
1 1 1    6   10    3 o   21.776   1.3423   65.202   7.9653 -13.6990   22.505   76.501   8.5166   9.1203   4.1418   23.596   1.3234 -14.47526 4.348147 
1 1 1    6   10    4 o   52.383   0.8296  375.774   11.901  317.483   19.960  407.922   14.824   48.139   1.5142   54.576   0.9919 -6.437119 1.810159 
1 1 1    6   10    5 o  254.324   2.0791  8867.82  144.794  9011.44  190.612  8671.87  222.636  256.253   2.7164  251.258   3.2358 4.994995 4.224849 
1 1 1    6   10    6 o  216.421   2.1394  6423.95  126.791  5995.80  182.993  6819.28  175.840  208.864   3.1995  222.826   2.8818 -13.96196 4.305981 
1 1 1    6   10    7 o   24.487   1.2194   82.153   8.1764   80.876   11.539   83.442   11.587   24.224   1.7513   24.610   1.7305 -0.3850822 2.462041 
1 1 1    6   10    8 o   65.882   1.0155  594.606   18.320  560.523   25.683  629.910   26.139   63.946   1.4667   67.792   1.4081 -3.845566 2.033181 
1 1 1    6   10    9 o   79.616   0.8556  868.267   18.653  855.084   26.451  881.308   26.309   78.990   1.2229   80.194   1.1980 -1.203606 1.711938 
1 1 1    6   10   10 o   63.537   0.8652  553.009   15.054  557.717   23.347  549.658   19.695   63.785   1.3367   63.333   1.1356 0.4520874 1.753937 
1 1 1    6   10   11 o   60.373   0.8930  499.327   14.763  520.623   20.091  474.331   21.766   61.633   1.1904   58.821   1.3513 2.812389 1.800894 
1 1 1    6   10   12 o   12.526   2.4313   22.314   8.0384   25.610   11.617   19.285   11.135   13.358   3.2147   11.674   3.3235 1.683695 4.623820 
1 1 1    6   10   13 o   76.106   0.8919  793.597   18.588  796.130   26.695  791.213   25.898   76.199   1.2793   75.967   1.2450 0.2328186 1.785117 
1 1 1    6   10   14 o   42.808   0.9576  251.133   11.225  248.996   15.908  253.252   15.841   42.605   1.3635   42.968   1.3463 -0.3636513 1.916149 
1 1 1    6   10   15 o   7.2226   2.9537   2.5626   9.2773   1.5119   13.267   3.5682   12.978   8.2682   3.4698   8.5223   3.4904 -0.2540741 4.921623 
1 1 1    6   10   16 o   66.954   1.0812  614.755   19.824  647.356   24.782  556.835   33.032   68.680   1.3177   63.618   1.8961 5.062298 2.309048 
1 1 1    6   10   17 o   25.782   1.6811   91.802   11.804   83.201   16.087  101.836   17.374   24.419   2.4384   27.052   2.3692 -2.633289 3.399867 
1 1 1    6   10   18 o   23.892   1.8074   79.055   11.737   80.234   16.559   77.865   16.639   23.934   2.5667   23.562   2.6234 0.3718433 3.670188 
1 1 1    6   10   19 o   20.582   2.5299   59.623   13.958   86.230   24.488   46.817   16.988   24.472   3.7756   17.954   3.5810 6.518394 5.203684 
1 1 1    6   10   20 o   22.262   2.0712   69.200   12.482   70.696   17.595   67.685   17.709   22.285   2.9562   21.770   3.0547 0.5152779 4.250928 
1 1 1    6   10   21 o   61.015   1.1875  512.386   19.841  531.938   27.536  491.276   28.613   62.029   1.6211   59.562   1.7543 2.466984 2.388615 
1 1 1    6   10   22 o   34.862   1.4357  168.248   13.706  220.426   19.954  121.634   18.860   39.766   1.8324   29.278   2.3727 10.48794 2.997890 
1 1 1    6   10   23 o   10.975   3.6168   18.024   12.605   36.842   17.375  -2.8891   18.316   15.135   4.0935   8.5884   3.8317 6.546329 5.607004 
1 1 1    6   10   24 o   12.773   3.4451   26.201   12.327   32.507   16.491   18.218   18.556   13.909   4.0705   11.185   4.3021 2.723597 5.922564 
1 1 1    6   10   25 o   13.732   3.5812   31.408   13.606   25.549   24.128   34.140   16.475   12.268   4.8505   13.998   4.0605 -1.730036 6.325758 
1 1 1    6   11    0 o  162.018   1.9320  3597.82   85.687  3597.82   85.687  3597.82   85.687  162.018   1.9320  162.018   1.9320 0.000000 0.000000 
1 1 1    6   11    1 o   59.278   0.9017  481.241   14.637  503.513   23.547  467.217   18.685   60.622   1.4185   58.402   1.1684 2.219421 1.837717 
1 1 1    6   11    2 o   57.490   1.4029  452.843   22.086  482.324   28.334  407.198   35.256   59.320   1.7443   54.480   2.3632 4.840103 2.937235 
1 1 1    6   11    3 o  153.988   1.3944  3249.11   58.798  3285.07   91.773  3224.08   76.580  154.755   2.1656  153.352   1.8236 1.402664 2.831150 
1 1 1    6   11    4 o   50.905   0.8922  354.914   12.437  281.269   25.891  377.006   14.181   45.282   2.0880   52.463   0.9871 -7.181118 2.309543 
1 1 1    6   11    5 o   26.054   1.0905   92.996   7.7804   50.329   15.848  106.545   8.9307   18.872   3.1797   27.886   1.1695 -9.014650 3.387968 
1 1 1    6   11    6 o   84.274   1.1250  973.070   25.961  839.440   38.293  1086.72   35.315   78.232   1.7875   89.039   1.4484 -10.80679 2.300676 
1 1 1    6   11    7 o   67.610   0.7711  626.102   14.275  607.659   21.659  640.268   18.982   66.591   1.1878   68.362   1.0140 -1.771423 1.561728 
1 1 1    6   11    8 o   61.001   0.9653  509.801   16.125  466.955   23.172  550.027   22.453   58.359   1.4500   63.347   1.2943 -4.987514 1.943653 
1 1 1    6   11    9 o   60.021   0.8446  493.490   13.881  506.079   21.696  484.764   18.063   60.761   1.3039   59.478   1.1090 1.283833 1.711767 
1 1 1    6   11   10 o   91.524   0.9394  1147.65   23.543  1138.75   34.213  1155.66   32.448   91.135   1.3709   91.816   1.2906 -0.6811829 1.882800 
1 1 1    6   11   11 o   42.364   1.0310  245.933   11.960  258.594   16.784  232.871   17.047   43.424   1.4115   41.203   1.5109 2.221157 2.067650 
1 1 1    6   11   12 o   48.724   0.8725  325.270   11.641  332.984   16.743  318.052   16.195   49.281   1.2407   48.164   1.2279 1.116936 1.745619 
1 1 1    6   11   13 o   45.783   0.9482  287.254   11.887  284.618   17.641  289.447   16.088   45.547   1.4144   45.940   1.2789 -0.3933525 1.906873 
1 1 1    6   11   14 o   64.630   0.8839  572.441   15.644  592.952   22.901  554.496   21.421   65.745   1.2720   63.582   1.2303 2.163807 1.769667 
1 1 1    6   11   15 o   84.553   0.9571  980.052   22.160  993.350   32.140  968.000   30.596   85.068   1.3797   83.983   1.3304 1.084969 1.916669 
1 1 1    6   11   16 o   24.016   2.0077   80.003   13.082   79.577   15.351   81.134   25.004   23.889   2.3783   23.754   3.9852 0.1348324 4.640915 
1 1 1    6   11   17 o   29.076   1.6332  116.660   12.951  118.372   20.742  115.566   16.580   29.112   2.6303   28.864   2.1124 0.2480850 3.373520 
1 1 1    6   11   18 o   39.473   1.1824  213.944   12.781  232.910   18.255  195.709   17.900   41.134   1.6206   37.692   1.7343 3.442387 2.373610 
1 1 1    6   11   19 o   53.519   1.2651  393.741   18.541  425.356   25.765  359.786   26.702   55.539   1.6941   51.030   1.9108 4.509174 2.553717 
1 1 1    6   11   20 o   34.096   1.3629  160.158   12.725  146.025   17.859  174.731   18.136   32.376   2.0246   35.469   1.8739 -3.092396 2.758691 
1 1 1    6   11   21 o   60.487   1.1093  503.862   18.374  551.585   27.777  466.734   24.500   63.086   1.6079   58.060   1.5410 5.026203 2.227116 
1 1 1    6   11   22 o   13.869   2.9942   28.922   11.038   44.147   16.972   17.760   14.532   16.856   3.7712   11.136   3.8812 5.719683 5.411684 
1 1 1    6   11   23 o   10.890   3.3246   18.393   10.823   24.035   17.044   14.582   14.009   12.268   4.2075   10.213   3.7789 2.054521 5.655357 
1 1 1    6   11   24 o   18.415   2.1635   49.749   10.702   60.647   16.548   41.915   14.030   19.652   3.1840   16.216   3.2724 3.436106 4.565759 
1 1 1    6   12    0 o   4.7572   2.9359   2.2805   7.5030   2.2805   7.5030   2.2805   7.5030   4.7572   2.9359   4.7572   2.9359 0.000000 0.000000 
1 1 1    6   12    1 o   46.694   0.7991  298.633   10.217  272.128   18.640  310.017   12.216   44.554   1.5278   47.573   0.9377 -3.019115 1.792644 
1 1 1    6   12    2 o   52.443   0.8106  376.692   11.641  377.562   21.380  376.326   13.879   52.481   1.4877   52.413   0.9670 0.6748199E-01 1.774405 
1 1 1    6   12    3 o   15.050   1.7111   31.465   6.9264   57.981   25.638   29.377   7.1940   20.052   4.7433   14.516   1.8519 5.535879 5.092034 
1 1 1    6   12    4 o   72.913   0.8522  728.219   17.014  667.444   32.239  751.683   20.031   69.759   1.6877   74.073   0.9876 -4.313728 1.955378 
1 1 1    6   12    5 o   36.617   0.8273  183.664   8.2960  168.057   17.368  188.278   9.4429   34.951   1.8210   37.072   0.9302 -2.121716 2.044776 
1 1 1    6   12    6 o   34.085   0.8653  159.148   8.0762  133.249   17.670  165.988   9.0801   31.082   2.0881   34.808   0.9526 -3.725786 2.295177 
1 1 1    6   12    7 o   36.426   0.8313  181.754   8.2923  194.685   15.362  176.437   9.8508   37.680   1.4888   35.885   1.0025 1.794491 1.794851 
1 1 1    6   12    8 o  117.506   1.4901  1893.53   47.947  1601.91   82.056  2044.73   59.084  107.866   2.7780  122.067   1.7676 -14.20121 3.292672 
1 1 1    6   12    9 o   66.399   0.8939  604.026   16.252  607.859   26.823  601.803   20.430   66.574   1.4713   66.265   1.1259 0.3093491 1.852687 
1 1 1    6   12   10 o  106.777   1.1198  1562.69   32.741  1558.16   44.731  1567.92   48.054  106.573   1.5328  106.890   1.6417 -0.3178024 2.246021 
1 1 1    6   12   11 o   55.813   1.4318  427.337   21.883   0.0000   0.0000  427.337   21.883  ?   ?    55.813   1.4318 0.000000 1.431791 
1 1 1    6   12   12 o   8.1338   3.0744   6.6005   9.3736  -8.5328   14.471   17.541   12.304   7.3147   3.3216   11.309   3.5604 -3.993965 4.869229 
1 1 1    6   12   13 o   87.700   0.9551  1054.23   22.938  1039.81   32.844  1067.95   32.048   87.046   1.3779   88.224   1.3265 -1.177147 1.912677 
1 1 1    6   12   14 o   39.676   1.0330  215.845   11.224  194.954   15.783  237.216   15.963   37.674   1.5299   41.568   1.4024 -3.893917 2.075410 
1 1 1    6   12   15 o   26.119   1.4896   94.027   10.610   89.172   15.131   98.724   14.882   25.331   2.2033   26.688   2.0521 -1.356552 3.010907 
1 1 1    6   12   16 o   16.689   2.4912   39.367   11.036   26.967   15.131   53.460   16.131   13.670   3.8683   19.355   3.1520 -5.685443 4.989846 
1 1 1    6   12   17 o   17.889   2.9371   45.677   13.888   42.594   20.895   48.116   18.587   16.993   4.4410   18.153   3.8581 -1.159952 5.882852 
1 1 1    6   12   18 o   19.932   2.1189   55.583   11.388   64.232   16.457   47.636   15.774   21.260   2.9026   18.155   3.2943 3.104767 4.390617 
1 1 1    6   12   19 o   35.949   1.3104  177.896   12.899  180.181   17.750  175.339   18.778   36.094   1.7959   35.525   1.9376 0.5683403 2.641895 
1 1 1    6   12   20 o   17.342   2.6485   43.321   12.179   78.929   20.454   23.763   15.159   23.261   3.3040   12.700   3.9443 10.56034 5.145285 
1 1 1    6   12   21 o   17.357   2.3681   43.410   10.962   66.785   16.644   25.504   14.567   21.348   2.9239   12.901   3.8390 8.447750 4.825715 
1 1 1    6   12   22 o   24.593   1.7975   85.680   12.021   86.718   17.210   84.691   16.800   24.293   2.6290   24.026   2.5947 0.2672672 3.693785 
1 1 1    6   12   23 o   16.785   2.4494   42.004   10.927   51.008   16.295   34.648   14.729   17.864   3.4559   14.501   3.6978 3.363791 5.061337 
1 1 1    6   12   24 o   13.218   3.1317   28.127   11.162   49.306   16.387   9.7973   15.245   17.264   3.5837   9.2361   3.7828 8.027632 5.210835 
1 1 1    6   13    0 o   46.865   1.4303  301.759   18.317  301.759   18.317  301.759   18.317   46.865   1.4303   46.865   1.4303 0.000000 0.000000 
1 1 1    6   13    1 o   74.805   0.8935  766.566   18.302  730.088   30.098  787.967   23.054   72.968   1.5063   75.831   1.1102 -2.862961 1.871266 
1 1 1    6   13    2 o   76.075   0.8339  792.763   17.371  792.755   30.955  792.766   20.987   76.036   1.4867   76.067   1.0076 -0.3060913E-01 1.795931 
1 1 1    6   13    3 o  140.798   1.3040  2717.36   50.277  2582.96   89.138  2780.07   60.887  137.091   2.3745  142.378   1.5617 -5.287201 2.841986 
1 1 1    6   13    4 o   45.595   0.7752  284.762   9.6783  313.931   20.434  276.326   10.989   47.844   1.5597   44.912   0.8935 2.931747 1.797517 
1 1 1    6   13    5 o   14.686   1.5791   29.921   6.2503   57.425   15.599   24.661   6.8219   20.217   2.9008   13.265   1.9350 6.952058 3.486982 
1 1 1    6   13    6 o   80.301   0.8668  883.370   19.061  835.365   33.161  907.057   23.294   78.041   1.5517   81.360   1.0455 -3.319527 1.871102 
1 1 1    6   13    7 o   14.936   1.3732   30.846   5.5536   21.626   10.426   34.499   6.5620   12.285   3.0995   15.784   1.5377 -3.499609 3.459929 
1 1 1    6   13    8 o   40.180   1.1238  221.284   12.365  222.546   20.457  220.557   15.521   40.258   1.8556   40.102   1.4134 0.1559639 2.332600 
1 1 1    6   13    9 o   11.904   2.6866   20.300   8.5496   10.766   12.066   29.912   12.116   9.7059   3.5204   14.439   3.1526 -4.733276 4.725707 
1 1 1    6   13   10 o   29.178   1.3378  116.781   10.689  119.193   14.667  114.047   15.610   29.399   1.8309   28.735   1.9963 0.6641731 2.708760 
1 1 1    6   13   11 o   51.950   1.0709  369.990   15.234  356.526   31.319  374.164   17.436   50.883   2.2477   52.232   1.2191 -1.348732 2.557009 
1 1 1    6   13   12 o   38.537   1.0253  203.613   10.820  182.601   15.564  223.265   15.052   36.463   1.5587   40.334   1.3628 -3.870773 2.070495 
1 1 1    6   13   13 o   54.379   0.9210  405.360   13.715  407.261   19.839  403.620   18.981   54.471   1.3300   54.232   1.2781 0.2388878 1.844609 
1 1 1    6   13   14 o   70.375   0.9351  679.054   18.021  697.752   26.364  662.656   24.690   71.283   1.3506   69.475   1.2978 1.808121 1.873063 
1 1 1    6   13   15 o   26.157   1.5537   94.406   11.078   92.405   15.540   96.474   15.798   25.772   2.2237   26.340   2.2107 -0.5674782 3.135640 
1 1 1    6   13   16 o   27.996   1.4614  108.066   11.165  103.058   15.796  113.065   15.782   27.228   2.1357   28.547   2.0322 -1.318514 2.948072 
1 1 1    6   13   17 o   30.813   1.6954  131.288   14.250  149.227   22.510  119.293   18.408   32.666   2.5363   29.240   2.3180 3.426788 3.436017 
1 1 1    6   13   18 o   41.299   1.3016  234.749   14.719  213.927   20.700  256.044   20.935   39.303   1.9233   43.034   1.7765 -3.731075 2.618229 
1 1 1    6   13   19 o   25.160   1.6066   87.967   11.011  112.186   16.708   69.374   14.639   28.263   2.1756   22.101   2.4607 6.161810 3.284600 
1 1 1    6   13   20 o   25.453   1.6929   90.628   11.732  116.279   19.790   76.728   14.568   28.475   2.5656   23.189   2.3255 5.285971 3.462666 
1 1 1    6   13   21 o   8.5622   3.3012   8.3329   10.946  -4.1420   15.483   20.800   15.478   7.7458   3.4842   11.693   4.0095 -3.947104 5.311862 
1 1 1    6   13   22 o   10.917   3.3386   18.826   10.908   28.330   15.497   9.4928   15.356   13.032   3.9783   9.3849   3.8147 3.646914 5.511689 
1 1 1    6   13   23 o   20.693   1.8906   61.934   10.594   70.883   16.229   55.289   13.986   21.480   2.8278   18.982   2.7723 2.498377 3.960050 
1 1 1    6   14    0 o   99.017   1.4893  1344.41   40.362  1344.41   40.362  1344.41   40.362   99.017   1.4893   99.017   1.4893 0.000000 0.000000 
1 1 1    6   14    1 f   34.690   0.8335  164.850   7.9175  165.913   16.662  164.540   8.9984   34.726   1.7579   34.654   0.9482 0.7140350E-01 1.997331 
1 1 1    6   14    2 o   28.963   0.9382  114.933   7.4407  113.038   16.305  115.431   8.3622   28.609   2.0958   29.023   1.0522 -0.4141979 2.345114 
1 1 1    6   14    3 o   75.583   1.2302  783.114   25.462  478.016   61.737  845.648   27.950   58.621   3.8677   78.538   1.2996 -19.91676 4.080194 
1 1 1    6   14    4 o   88.680   0.9393  1077.51   22.809  1093.27   39.714  1069.76   27.862   89.263   1.6248   88.345   1.1517 0.9183960 1.991549 
1 1 1    6   14    5 o   75.115   0.9418  773.090   19.371  815.375   33.686  752.198   23.678   77.088   1.5958   74.078   1.1673 3.010056 1.977108 
1 1 1    6   14    6 o   20.418   1.2183   57.358   6.7808   28.823   17.121   62.667   7.3847   14.256   4.1405   21.341   1.2694 -7.085113 4.330691 
1 1 1    6   14    7 o  108.256   1.0305  1606.20   30.549  1577.41   51.621  1621.72   37.898  107.179   1.7589  108.749   1.2726 -1.570564 2.170973 
1 1 1    6   14    8 o   63.234   0.9018  547.926   15.615  534.047   28.153  554.092   18.765   62.367   1.6485   63.577   1.0779 -1.210232 1.969576 
1 1 1    6   14    9 o  100.391   1.0149  1381.49   27.900  1361.61   41.487  1397.90   37.698   99.594   1.5212  100.938   1.3639 -1.343895 2.043080 
1 1 1    6   14   10 o   34.289   1.2679  161.300   11.905  158.365   14.441  167.525   21.029   33.959   1.5530   34.804   2.2180 -0.8453712 2.707667 
1 1 1    6   14   11 o   37.394   1.3945  191.961   14.279   0.0000   0.0000  191.961   14.279  ?   ?    37.394   1.3945 0.000000 1.394463 
1 1 1    6   14   12 o   72.577   0.9215  722.117   18.315  733.293   27.145  712.778   24.814   73.082   1.3564   72.067   1.2574 1.015602 1.849549 
1 1 1    6   14   13 o   21.846   1.7352   66.080   10.295   60.903   15.843   69.863   13.544   20.761   2.8628   22.386   2.2394 -1.624594 3.634678 
1 1 1    6   14   14 o   44.096   1.0231  266.740   12.353  256.977   17.776  275.858   17.180   43.233   1.5015   44.805   1.4002 -1.572178 2.053077 
1 1 1    6   14   15 o   47.777   1.1498  313.393   15.043  335.010   21.380  292.201   21.168   49.336   1.5825   46.061   1.6783 3.274822 2.306740 
1 1 1    6   14   16 o   58.799   1.0396  474.657   16.740  476.288   24.867  473.305   22.637   58.805   1.5443   58.649   1.4095 0.1554146 2.090797 
1 1 1    6   14   17 o   37.315   1.3978  191.834   14.283  173.326   22.843  203.714   18.301   35.186   2.3849   38.388   1.7410 -3.202164 2.952747 
1 1 1    6   14   18 o   49.607   1.1928  338.995   16.203  340.894   22.795  337.056   23.036   49.598   1.6783   49.309   1.7060 0.2897949 2.393197 
1 1 1    6   14   19 o   48.284   1.1294  321.656   14.933  340.596   22.567  306.903   19.918   49.463   1.6661   47.006   1.5474 2.456871 2.273840 
1 1 1    6   14   20 o   23.445   1.6704   77.394   10.654   65.683   15.965   86.798   14.306   21.046   2.8429   24.623   2.1431 -3.576536 3.560241 
1 1 1    6   14   21 o   24.970   1.6381   88.286   11.139   91.905   18.219   86.127   14.076   24.778   2.7304   24.388   2.1290 0.3904800 3.462356 
1 1 1    6   14   22 o   32.714   1.4387  150.606   12.889  143.240   17.099  160.299   19.613   31.462   1.9950   33.123   2.1745 -1.661650 2.950974 
1 1 1    6   15    0 f   29.930   1.3587  123.512   11.084  123.512   11.084  123.512   11.084   29.930   1.3587   29.930   1.3587 0.000000 0.000000 
1 1 1    6   15    1 o   42.291   0.9180  245.072   10.631  265.739   19.797  236.697   12.602   44.001   1.6430   41.555   1.1075 2.446068 1.981429 
1 1 1    6   15    2 o   47.794   0.9148  313.003   11.973  291.253   21.243  323.129   14.494   46.061   1.6842   48.553   1.0902 -2.492065 2.006200 
1 1 1    6   15    3 o  140.055   1.4650  2691.16   56.184  2665.14  115.685  2699.19   64.274  138.910   3.0413  140.220   1.6739 -1.310379 3.471508 
1 1 1    6   15    4 o   31.106   0.9392  132.592   7.9998  122.906   19.381  134.581   8.7829   29.782   2.3968   31.335   1.0236 -1.553617 2.606175 
1 1 1    6   15    5 o   88.825   0.9501  1081.26   23.111  1040.23   44.001  1096.89   27.158   87.011   1.8467   89.449   1.1088 -2.438446 2.153987 
1 1 1    6   15    6 o   79.046   0.9056  856.262   19.603  788.563   37.519  881.681   22.990   75.754   1.8087   80.198   1.0469 -4.443771 2.089781 
1 1 1    6   15    7 o   52.777   0.7953  381.659   11.493  363.199   23.907  387.208   13.107   51.417   1.6979   53.154   0.9005 -1.736954 1.921958 
1 1 1    6   15    8 o   40.065   1.0028  220.065   11.002  204.275   22.094  225.272   12.687   38.461   2.1057   40.529   1.1431 -2.067467 2.396000 
1 1 1    6   15    9 o   6.5049   2.5246   3.6674   6.4347   20.663   12.507  -2.4507   7.5040   12.076   3.5479   5.6025   2.4786 6.473588 4.327944 
1 1 1    6   15   10 o   62.806   0.8560  540.674   14.722  551.068   28.260  536.803   17.246   63.318   1.6299   62.568   1.0066 0.7493210 1.915682 
1 1 1    6   15   11 o   59.012   1.0817  477.716   17.480  448.148   25.096  505.579   24.361   57.091   1.6052   60.660   1.4666 -3.568893 2.174296 
1 1 1    6   15   12 o   17.201   2.1183   41.433   9.7670   43.835   14.883   39.617   12.944   17.469   3.2303   16.647   2.9474 0.8223190 4.372924 
1 1 1    6   15   13 o   27.769   1.3599  105.962   10.341   96.390   15.281  114.050   14.045   26.332   2.1377   28.717   1.7951 -2.384739 2.791421 
1 1 1    6   15   14 o   10.143   3.2918   14.025   10.456   10.653   15.514   16.831   14.155   10.291   3.9394   11.281   3.8345 -0.9902668 5.497472 
1 1 1    6   15   15 o   20.712   2.1228   60.041   11.870   67.098   15.140   48.787   19.120   21.798   2.5870   18.175   3.9543 3.623224 4.725319 
1 1 1    6   15   16 o   19.798   1.8641   54.764   9.9872   51.137   14.832   57.772   13.508   18.835   2.9744   20.184   2.4973 -1.349033 3.883765 
1 1 1    6   15   17 o   10.164   3.5432   13.742   12.111   31.491   20.421   4.1125   15.042   14.462   4.5906   8.9484   3.7201 5.513269 5.908710 
1 1 1    6   15   18 o   45.937   1.0744  291.002   13.515  289.577   19.161  292.413   19.066   45.656   1.5326   45.886   1.5174 -0.2295837 2.156730 
1 1 1    6   15   19 f   11.221   3.0880   19.265   9.7873   21.419   14.718   17.556   13.105   11.797   3.9091   10.863   3.6896 0.9339676 5.375297 
1 1 1    6   15   20 o   6.3519   2.8474  -2.7247   10.244  -2.4332   14.553  -3.0109   14.422   7.5889   3.3985   7.4878   3.3659 0.1011357 4.783183 
1 1 1    6   15   21 o   9.2966   3.4290   12.435   11.516   39.035   17.630  -7.3643   15.210   14.948   4.1564   7.1297   3.2989 7.817970 5.306498 
1 1 1    6   16    0 o   18.516   3.8342   52.856   17.156   52.856   17.156   52.856   17.156   18.516   3.8342   18.516   3.8342 0.000000 0.000000 
1 1 1    6   16    1 f   22.823   1.8998   72.103   11.765   55.338   17.654   85.500   15.781   19.705   3.3941   24.801   2.3517 -5.096195 4.129247 
1 1 1    6   16    2 o   65.003   0.8575  579.032   15.263  562.731   29.256  585.128   17.891   64.005   1.6692   65.334   1.0000 -1.329292 1.945823 
1 1 1    6   16    3 o   23.654   1.1053   76.720   7.1596   59.519   19.216   79.493   7.7152   20.411   3.5678   24.076   1.1702 -3.664740 3.754855 
1 1 1    6   16    4 o   71.852   0.9451  707.639   18.595  668.765   33.751  724.581   22.282   69.754   1.7670   72.690   1.1194 -2.936386 2.091715 
1 1 1    6   16    5 f   59.950   1.0632  492.791   17.453  489.122   29.808  494.706   21.530   59.642   1.8251   60.044   1.3094 -0.4015541 2.246267 
1 1 1    6   16    6 o   61.786   1.0832  523.510   18.326  500.420   30.154  537.034   23.077   60.320   1.8255   62.552   1.3473 -2.231483 2.268834 
1 1 1    6   16    7 o   50.535   1.3571  350.577   18.781  332.130   27.272  367.216   25.900   49.108   2.0280   51.665   1.8307 -2.556671 2.732116 
1 1 1    6   16    8 o   17.500   1.8987   42.649   8.9527   5.0404   23.058   49.326   9.7148   11.093   4.6083   18.833   1.9102 -7.740124 4.988541 
1 1 1    6   16    9 o   32.420   0.9307  144.117   8.2630  113.378   27.036  147.284   8.6782   28.269   3.5723   32.773   0.9670 -4.503450 3.700872 
1 1 1    6   16   10 o   36.428   0.8502  181.924   8.4807  169.227   16.132  186.773   9.9694   35.069   1.6799   36.902   0.9866 -1.833038 1.948146 
1 1 1    6   16   11 o   37.155   1.5426  189.863   15.695  159.601   34.261  197.900   17.656   33.488   3.8035   37.914   1.7006 -4.426132 4.166397 
1 1 1    6   16   12 f   32.211   1.3189  142.579   11.633  138.151   15.854  147.744   17.123   31.599   1.8402   32.666   1.9227 -1.066933 2.661396 
1 1 1    6   16   13 o   61.797   0.9815  524.112   16.609  501.852   23.077  548.032   23.923   60.398   1.3953   63.118   1.3841 -2.720150 1.965373 
1 1 1    6   16   14 o   11.865   2.9810   20.540   9.6734   31.393   14.344   11.485   13.101   14.583   3.6109   9.9322   3.6582 4.651148 5.140155 
1 1 1    6   16   15 o   18.615   2.0848   48.799   10.445   56.207   15.166   42.117   14.405   19.762   2.8878   16.954   3.2205 2.807869 4.325652 
1 1 1    6   16   16 o   29.260   1.2581  118.144   10.081  114.596   15.222  120.915   13.453   28.597   1.9556   29.467   1.6742 -0.8702679 2.574368 
1 1 1    6   16   17 o   21.762   2.0401   67.178   12.016   92.603   20.544   53.957   14.814   25.086   3.0535   19.133   2.9200 5.953585 4.224993 
1 1 1    6   16   18 o   27.042   1.4716  102.369   10.856  115.419   17.363   93.993   13.911   28.311   2.2585   25.674   1.9943 2.636539 3.012955 
1 1 1    6   16   19 o   24.188   1.6499   82.953   10.863   80.971   15.261   84.988   15.466   23.450   2.4109   24.050   2.3796 -0.6004581 3.387472 
1 1 1    6   16   20 o   10.354   3.2674   17.069   10.357   12.632   14.723   21.416   14.573   9.6901   3.8024   11.386   3.8906 -1.695476 5.440141 
1 1 1    6   17    0 o   29.059   1.0687  116.181   8.4777  116.181   8.4777  116.181   8.4777   29.059   1.0687   29.059   1.0687 0.000000 0.000000 
1 1 1    6   17    1 o   44.152   0.8719  267.201   10.542  261.180   16.173  271.649   13.901   43.619   1.3540   44.501   1.1408 -0.8823700 1.770522 
1 1 1    6   17    2 o   49.442   0.9205  335.102   12.462  306.966   24.905  344.500   14.394   47.224   1.9259   50.121   1.0488 -2.897480 2.192955 
1 1 1    6   17    3 o   21.859   2.0078   66.355   11.884   75.399   21.512   62.382   14.257   23.007   3.5269   21.102   2.5170 1.905283 4.332934 
1 1 1    6   17    4 o   32.882   1.5777  148.600   14.207  120.895   22.902  165.928   18.112   29.395   2.8823   34.664   1.9156 -5.268932 3.460816 
1 1 1    6   17    5 o   14.580   3.3803   30.786   13.233   42.787   23.712   25.357   15.947   17.122   4.8414   13.366   4.0257 3.755690 6.296438 
1 1 1    6   17    6 o   63.637   1.3140  556.061   22.898  500.772   32.659  609.518   32.114   60.281   1.9785   66.549   1.7622 -6.268444 2.649475 
1 1 1    6   17    7 o   68.067   1.3423  636.338   25.019  611.150   35.877  660.185   34.909   66.587   1.9676   69.236   1.8413 -2.648438 2.694735 
1 1 1    6   17    8 o   10.116   3.5099   12.983   11.878   28.169   25.462   8.7583   13.429   14.682   5.1363   9.5314   3.6613 5.150869 6.307689 
1 1 1    6   17    9 o   48.094   1.3041  317.749   17.175  295.509   36.800  323.942   19.419   45.980   2.9381   48.539   1.4610 -2.559597 3.281318 
1 1 1    6   17   10 o   68.569   1.2337  645.856   23.164  614.835   37.679  664.705   29.371   66.707   2.0627   69.498   1.5433 -2.791481 2.576138 
1 1 1    6   17   11 o   46.504   0.7973  296.560   10.153  299.621   19.567  295.432   11.877   46.646   1.5319   46.402   0.9347 0.2443428 1.794538 
1 1 1    6   17   12 o   31.385   0.9172  135.193   7.8830  119.616   15.951  140.227   9.0677   29.325   1.9983   31.954   1.0363 -2.628841 2.251015 
1 1 1    6   17   13 o   33.827   1.2560  157.540   11.635  139.897   15.180  182.664   18.115   31.746   1.7529   36.267   1.8299 -4.520836 2.534025 
1 1 1    6   17   14 o   14.587   2.3793   30.571   9.1764   29.516   13.748   31.419   12.323   14.030   3.5697   14.568   3.1786 -0.5373049 4.779737 
1 1 1    6   17   15 o   28.301   1.3215  110.770   10.241  111.224   14.619  110.332   14.350   28.146   1.9081   28.043   1.8796 0.1033630 2.678352 
1 1 1    6   17   16 o   15.760   2.6739   36.671   11.127   34.867   24.586   37.136   12.479   14.652   5.0517   15.721   3.0083 -1.069231 5.879570 
1 1 1    6   17   17 o   12.362   3.2338   23.877   11.073   30.695   17.933   19.676   14.076   13.618   4.2996   11.296   3.8240 2.321217 5.754066 
1 1 1    6   17   18 o   7.2394   2.9508   4.4083   9.2200   2.9461   14.071   5.5085   12.205   8.1384   3.4997   8.1347   3.3639 0.3710747E-02 4.854235 
1 1 1    6   17   19 o   10.685   3.0434   18.196   9.3346   25.647   13.926   12.116   12.579   12.321   3.7730   9.3247   3.5526 2.995834 5.182303 
1 1 1    6   18    0 o   39.777   1.0045  217.232   10.925  217.232   10.925  217.232   10.925   39.777   1.0045   39.777   1.0045 0.000000 0.000000 
1 1 1    6   18    1 f   35.541   1.0016  173.253   9.7476  188.726   14.785  161.357   12.964   37.058   1.4570   34.272   1.3814 2.785858 2.007705 
1 1 1    6   18    2 o   31.451   1.1763  135.767   10.131  102.797   22.912  143.779   11.296   26.991   3.1598   32.359   1.2747 -5.368441 3.407246 
1 1 1    6   18    3 o   41.421   1.3293  235.661   15.077  249.618   25.352  228.022   18.755   42.461   2.1878   40.706   1.6825 1.754978 2.759960 
1 1 1    6   18    4 o   54.225   1.3163  403.865   19.546  357.831   28.677  443.804   26.711   50.925   2.0565   56.779   1.7180 -5.854786 2.679625 
1 1 1    6   18    5 o   13.820   3.5154   27.775   13.335   25.698   23.447   28.768   16.212   14.065   4.9285   14.095   4.0094 -0.2975082E-01 6.353366 
1 1 1    6   18    6 o   44.701   1.4543  274.755   17.801  278.281   28.285  272.442   22.907   44.784   2.3144   44.449   1.8819 0.3349457 2.982948 
1 1 1    6   18    7 o   49.580   1.1508  337.512   15.624  367.401   29.714  326.091   18.368   51.558   2.1046   48.704   1.3773 2.854477 2.515216 
1 1 1    6   18    8 o   51.814   1.4205  369.301   20.155   0.0000   0.0000  369.301   20.155  ?   ?    51.814   1.4205 0.000000 1.420523 
1 1 1    6   18    9 o   52.855   1.2345  384.012   17.867  336.871   29.766  410.563   22.339   49.293   2.2052   54.602   1.4941 -5.309101 2.663694 
1 1 1    6   18   10 o   23.177   2.0706   75.051   13.003   49.136   25.996   83.698   15.016   17.989   5.0633   24.438   2.2698 -6.449442 5.548775 
1 1 1    6   18   11 o   10.697   3.6052   15.572   12.512  -1.5805   24.297   21.762   14.595   10.374   4.5288   12.298   3.8785 -1.923615 5.962611 
1 1 1    6   18   12 f   24.521   1.0936   82.752   7.3433   37.262   12.014  109.886   9.2783   16.004   2.8456   28.242   1.1997 -12.23804 3.088136 
1 1 1    6   18   13 o   14.678   1.4428   30.106   5.7239   29.191   11.313   30.420   6.6359   14.011   3.0363   14.703   1.6783 -0.6920156 3.469270 
1 1 1    6   18   14 f   18.197   1.7673   46.719   8.6952   47.230   11.920   46.137   12.712   18.049   2.4771   17.744   2.7014 0.3041935 3.665221 
1 1 1    6   18   15 o   7.6522   2.9354   6.4921   8.6243  -3.9265   12.644   15.556   11.793   6.9966   3.1478   10.290   3.5000 -3.293335 4.707305 
1 1 1    6   18   16 o   12.176   3.1030   23.229   10.376   2.0402   17.649   34.421   12.827   8.8138   3.8533   14.791   3.2551 -5.977380 5.044215 
1 1 1    6   18   17 o   25.206   1.5486   89.947   10.638   94.338   21.163   88.463   12.305   24.549   3.2262   24.842   1.8216 -0.2924080 3.704900 
1 1 1    6   18   18 o   8.1544   2.9921   9.1815   8.7528   24.280   13.681  -1.2798   11.388   11.982   3.7515   6.8019   3.0290 5.179957 4.821638 
1 1 1    6   19    0 f   36.658   1.0382  184.650   10.403  184.650   10.403  184.650   10.403   36.658   1.0382   36.658   1.0382 0.000000 0.000000 
1 1 1    6   19    1 o   55.746   0.9658  426.344   14.743  431.719   21.398  421.487   20.343   56.034   1.3945   55.375   1.3415 0.6592979 1.935073 
1 1 1    6   19    2 o   37.945   1.0830  197.653   11.253  128.353   21.873  222.598   13.123   30.269   2.6662   40.258   1.1904 -9.989048 2.919855 
1 1 1    6   19    3 o   40.322   1.1401  223.270   12.589  217.679   32.796  224.236   13.633   39.341   3.0686   40.399   1.2323 -1.058376 3.306790 
1 1 1    6   19    4 o   26.990   1.5335  100.612   11.287   69.413   27.684  106.832   12.361   21.545   4.8136   27.798   1.6309 -6.253252 5.082386 
1 1 1    6   19    5 o   57.375   1.1312  452.178   17.773  440.841   33.241  456.716   21.032   56.414   2.1518   57.627   1.3328 -1.212147 2.531093 
1 1 1    6   19    6 o   49.069   1.1744  330.910   15.780  361.575   31.271  320.432   18.278   51.041   2.2373   48.251   1.3834 2.790298 2.630432 
1 1 1    6   19    7 o   57.662   1.3847  457.838   21.865   0.0000   0.0000  457.838   21.865  ?   ?    57.662   1.3847 0.000000 1.384741 
1 1 1    6   19    8 o   44.069   1.2851  267.402   15.508  266.777   28.880  267.655   18.384   43.643   2.4261   44.040   1.5244 -0.3970833 2.865259 
1 1 1    6   19    9 o   15.466   2.9085   34.840   11.866   33.199   23.593   35.396   13.728   14.988   4.9485   15.471   3.3385 -0.4827805 5.969366 
1 1 1    6   19   10 o   53.861   1.4455  401.028   21.320  345.351   43.923  418.189   24.385   48.915   3.2984   54.934   1.6211 -6.018795 3.675244 
1 1 1    6   19   11 o   34.524   1.5556  165.422   14.707  149.793   25.758  172.981   17.914   32.178   2.9563   35.154   1.8676 -2.975773 3.496834 
1 1 1    6   19   12 o   15.951   2.8141   37.646   11.842   41.327   23.368   36.374   13.737   15.883   4.8914   15.458   3.3426 0.4251337 5.924389 
1 1 1    6   19   13 o   20.671   1.8500   60.647   10.361   63.435   14.791   57.960   14.519   20.767   2.6622   19.792   2.7534 0.9751320 3.829918 
1 1 1    6   19   14 o   23.440   1.0241   76.049   6.5733   21.614   13.455   93.115   7.5335   11.669   3.7285   25.927   1.0611 -14.25813 3.876568 
1 1 1    6   19   15 o   14.848   2.0296   32.172   8.0363   14.243   12.434   45.033   10.531   9.8513   3.5736   17.492   2.2508 -7.641166 4.223374 
1 1 1    6   19   16 o   23.209   1.5960   76.621   10.082   11.217   17.958  106.724   12.183   9.8522   4.0777   27.385   1.6320 -17.53275 4.392200 
1 1 1    6   20    0 o   13.755   3.2301   30.127   10.571   30.127   10.571   30.127   10.571   13.755   3.2301   13.755   3.2301 0.000000 0.000000 
1 1 1    6   20    1 o   44.755   0.8542  274.878   10.468  268.251   16.130  279.701   13.760   44.138   1.3345   45.109   1.1139 -0.9706535 1.738302 
1 1 1    6   20    2 o   23.979   1.2812   79.372   8.3824   80.194   16.942   79.105   9.6456   23.796   2.6448   23.906   1.4807 -0.1108227 3.031116 
1 1 1    6   20    3 o   29.398   1.7304  119.940   13.869   33.687   22.077  176.166   17.825   15.096   4.7711   35.621   1.8336 -20.52508 5.111334 
1 1 1    6   20    4 o   33.062   1.2615  150.529   11.421   69.589   22.310  179.272   13.295   21.672   3.9030   36.066   1.3462 -14.39473 4.128605 
1 1 1    6   20    5 o   46.408   1.3983  297.128   17.770   56.787   29.119  439.749   22.431   19.009   5.3617   56.442   1.4513 -37.43282 5.554605 
1 1 1    6   20    6 o   34.190   1.5962  161.795   14.944   0.0000   0.0000  161.795   14.944  ?   ?    34.190   1.5962 0.000000 1.596154 
1 1 1    6   20    7 o   11.295   3.3191   18.782   10.945 -10.3266   22.043   28.306   12.609   8.9435   4.0760   13.749   3.3742 -4.805472 5.291396 
1 1 1    6   20    8 o   42.657   1.3768  251.753   16.082  209.342   27.926  272.799   19.672   38.266   2.6820   44.316   1.6211 -6.050083 3.133824 
1 1 1    6   20    9 o   30.241   1.4607  126.925   12.096   88.981   20.864  146.136   14.845   24.548   3.1785   32.337   1.6823 -7.788918 3.596241 
1 1 1    6   20   10 o   10.081   3.5983   13.979   12.548   1.4034   33.212   16.073   13.553   11.584   5.1646   10.642   3.7458 0.9421263 6.379972 
1 1 1    6   20   11 o   27.726   1.9644  109.403   14.818   53.200   31.386  125.525   16.809   17.007   5.7102   29.638   2.0844 -12.63071 6.078717 
1 1 1    6   20   12 o   8.4319   3.4133   6.8020   12.238 -16.4531   31.073   11.072   13.315   9.6387   4.5423   9.4077   3.6370 0.2309713 5.818975 
1 1 1    6   20   13 o   11.729   3.4315   22.162   11.722   29.081   21.783   19.342   13.907   12.990   4.7273   11.044   3.7998 1.946158 6.065103 
1 1 1    6   20   14 o   9.6985   3.4580   14.204   11.586   15.535   15.409   12.473   17.574   10.281   3.9284   10.006   4.0756 0.2752657 5.660675 
1 1 1    6   21    0 o   4.6718   3.0899  -2.0657   10.307  -2.0657   10.307  -2.0657   10.307   4.6718   3.0899   4.6718   3.0899 0.000000 0.000000 
1 1 1    6   21    1 o   16.973   1.3321   40.050   6.1415   28.902   10.354   46.102   7.6285   14.020   2.7949   18.172   1.5477 -4.152027 3.194867 
1 1 1    6   21    2 o   5.5342   2.5289  -5.1967   8.5560  -5.0051   11.180  -5.4675   13.292   6.5148   2.9427   7.1282   3.2153 -0.6134090 4.358629 
1 1 1    6   21    3 o   37.051   1.1652  189.410   11.822  113.727   19.704  231.983   14.778   28.187   2.5815   40.960   1.3175 -12.77368 2.898254 
1 1 1    6   21    4 o   30.156   1.3460  125.877   11.115   11.125   20.806  171.700   13.148   10.951   4.4444   35.215   1.3634 -24.26355 4.648866 
1 1 1    6   21    5 o   27.601   1.5539  106.271   11.697   54.621   21.445  128.142   13.955   18.573   4.3011   30.267   1.6905 -11.69353 4.621409 
1 1 1    6   21    6 o   15.965   2.4146   37.064   10.226   12.807   20.118   45.515   11.875   10.959   4.3973   17.678   2.5248 -6.718653 5.070630 
1 1 1    6   21    7 o   10.234   3.3120   15.515   10.591   1.7413   20.438   20.571   12.383   9.5292   4.1569   11.577   3.5600 -2.047876 5.472941 
1 1 1    6   21    8 o   8.7594   3.3600   9.0548   11.300 -12.1115   22.502   16.193   13.068   8.5698   3.9817   10.523   3.6797 -1.952757 5.421679 
1 1 1    6   21    9 o   25.189   1.7636   90.022   12.088   78.648   22.848   94.443   14.245   22.105   3.9180   25.650   2.0450 -3.545218 4.419603 
1 1 1    6   21   10 o   11.739   4.0362   22.221   15.690  -7.5818   28.993   34.564   18.658   9.8186   4.5472   14.155   4.3727 -4.336355 6.308533 
1 1 1    6   21   11 o   14.372   3.4178   33.437   13.255   28.641   20.521   36.870   17.362   12.849   4.6000   14.619   4.1459 -1.770348 6.192618 
1 1 1    6   21   12 o   6.8532   3.1464  -5.6227   13.458 -12.4116   21.267  -1.0883   17.381   8.0036   3.7675   8.2408   3.7005 -0.2371664 5.280881 
1 1 1    6   22    0 o   43.737   1.7812  266.870   21.252  266.870   21.252  266.870   21.252   43.737   1.7812   43.737   1.7812 0.000000 0.000000 
1 1 1    6   22    1 o   25.662   1.0471   91.050   7.3582   71.931   12.145  102.137   9.2488   22.446   1.9969   27.126   1.2451 -4.679888 2.353262 
1 1 1    6   22    2 o   19.802   1.7883   55.659   9.5922   65.551   12.808   43.025   14.476   21.304   2.2285   16.703   3.2819 4.600740 3.967006 
1 1 1    6   22    3 o   7.2703   2.8139   5.6236   7.9772  -3.7057   14.960   9.3303   9.4297   7.6271   3.4284   8.4778   3.1065 -0.8507075 4.626416 
1 1 1    6   22    4 o   9.6815   3.1181   14.040   9.3955   18.447   25.803   13.366   10.088   12.023   4.9225   9.5524   3.2372 2.470622 5.891586 
1 1 1    6   22    5 o   32.724   1.2777  149.138   11.449   87.858   15.954  214.210   16.441   24.497   2.4095   39.071   1.5366 -14.57370 2.857783 
1 1 1    6   22    6 o   13.301   2.9349   27.401   10.403  -7.9967   18.693   43.282   12.521   7.9743   3.6783   16.880   2.8074 -8.905963 4.627223 
1 1 1    6   22    7 o   35.488   1.4597  176.801   14.185  102.854   19.940  252.556   20.183   26.079   2.8380   42.191   1.7469 -16.11108 3.332560 
1 1 1    6   22    8 o   7.9702   3.2356   6.1601   11.030 -18.0681   18.891   18.694   13.587   7.1479   3.4178   10.842   3.7544 -3.694464 5.077106 
1 1 1    6   22    9 o   18.938   3.1939   56.729   15.974   46.102   21.180   70.747   24.326   15.859   4.6050   19.866   4.5673 -4.007161 6.485828 
1 1 1    6   22   10 o   9.5162   3.5379   13.316   12.308 -21.4397   28.605   21.212   13.634   8.6422   4.1517   11.284   3.7636 -2.642047 5.603698 
1 1 1    6   23    1 o   14.590   4.9063   39.594   23.172   39.594   23.172   0.0000   0.0000   14.590   4.9063  ?   ?  0.000000 4.906336 
1 1 1    6   23    2 o   22.970   1.4009   74.312   8.7696   14.647   12.683  128.969   12.139   9.9117   3.6071   30.277   1.4641 -20.36550 3.892915 
1 1 1    6   23    3 o   14.508   2.3008   31.398   8.8360   13.640   15.254   40.365   10.840   9.9511   3.8800   16.375   2.4963 -6.424301 4.613690 
1 1 1    6   23    4 o   16.792   2.3313   42.003   10.431   23.743   14.513   61.510   15.001   11.895   3.8790   20.031   2.8122 -8.136518 4.791139 
1 1 1    6   23    5 o   8.3627   3.0500   9.7630   9.0747  -6.4256   13.982   21.546   11.929   6.8981   3.1816   11.448   3.4893 -4.550298 4.722057 
1 1 1    6   23    6 o   17.565   2.0909   45.358   9.8596   35.042   14.775   53.640   13.238   14.385   3.7223   18.753   2.6520 -4.367434 4.570385 
1 1 1    7    0    1 o  294.144   4.3364 11862.79  349.112 11862.79  349.112 11862.79  349.112  294.144   4.3364  294.144   4.3364 0.000000 0.000000 
1 1 1    7    0    2 o  197.288   1.9456  5331.58  105.086  5331.58  105.086  5331.58  105.086  197.288   1.9456  197.288   1.9456 0.000000 0.000000 
1 1 1    7    0    3 o  162.020   2.1832  3596.84   96.821  3596.84   96.821  3596.84   96.821  162.020   2.1832  162.020   2.1832 0.000000 0.000000 
1 1 1    7    0    4 o  145.971   1.7877  2919.09   71.433  2919.09   71.433  2919.09   71.433  145.971   1.7877  145.971   1.7877 0.000000 0.000000 
1 1 1    7    0    5 o   80.630   1.9312  891.819   42.584  891.819   42.584  891.819   42.584   80.630   1.9312   80.630   1.9312 0.000000 0.000000 
1 1 1    7    0    6 o   20.018   3.0234   58.516   15.456   58.516   15.456   58.516   15.456   20.018   3.0234   20.018   3.0234 0.000000 0.000000 
1 1 1    7    0    7 o   15.451   3.9011   38.334   14.274   38.334   14.274   38.334   14.274   15.451   3.9011   15.451   3.9011 0.000000 0.000000 
1 1 1    7    0    8 o  236.863   3.0794  7689.95  199.661  7689.95  199.661  7689.95  199.661  236.863   3.0794  236.863   3.0794 0.000000 0.000000 
1 1 1    7    0    9 o  121.485   1.5466  2022.06   51.430  2022.06   51.430  2022.06   51.430  121.485   1.5466  121.485   1.5466 0.000000 0.000000 
1 1 1    7    0   10 o   18.556   2.7321   50.150   13.000   50.150   13.000   50.150   13.000   18.556   2.7321   18.556   2.7321 0.000000 0.000000 
1 1 1    7    0   11 o  138.882   1.9595  2644.02   74.488  2644.02   74.488  2644.02   74.488  138.882   1.9595  138.882   1.9595 0.000000 0.000000 
1 1 1    7    0   12 o  133.396   2.0911  2440.49   76.344  2440.49   76.344  2440.49   76.344  133.396   2.0911  133.396   2.0911 0.000000 0.000000 
1 1 1    7    0   13 o   30.685   1.6555  130.139   13.818  130.139   13.818  130.139   13.818   30.685   1.6555   30.685   1.6555 0.000000 0.000000 
1 1 1    7    0   14 f   23.608   2.1240   78.262   13.476   78.262   13.476   78.262   13.476   23.608   2.1240   23.608   2.1240 0.000000 0.000000 
1 1 1    7    0   15 o   99.550   1.4767  1358.88   40.235  1358.88   40.235  1358.88   40.235   99.550   1.4767   99.550   1.4767 0.000000 0.000000 
1 1 1    7    0   16 o   11.225   5.0139   25.120   16.380   25.120   16.380   25.120   16.380   11.225   5.0139   11.225   5.0139 0.000000 0.000000 
1 1 1    7    0   17 o   39.282   1.7359  212.828   18.590  212.828   18.590  212.828   18.590   39.282   1.7359   39.282   1.7359 0.000000 0.000000 
1 1 1    7    0   18 o   30.505   2.1895  129.731   18.074  129.731   18.074  129.731   18.074   30.505   2.1895   30.505   2.1895 0.000000 0.000000 
1 1 1    7    0   19 o   95.894   1.7782  1263.22   46.658  1263.22   46.658  1263.22   46.658   95.894   1.7782   95.894   1.7782 0.000000 0.000000 
1 1 1    7    0   20 o   28.284   2.4969  112.635   18.992  112.635   18.992  112.635   18.992   28.284   2.4969   28.284   2.4969 0.000000 0.000000 
1 1 1    7    0   21 o   19.192   4.5905   59.080   20.930   59.080   20.930   59.080   20.930   19.192   4.5905   19.192   4.5905 0.000000 0.000000 
1 1 1    7    0   22 o   19.341   4.6604   60.344   21.402   60.344   21.402   60.344   21.402   19.341   4.6604   19.341   4.6604 0.000000 0.000000 
1 1 1    7    0   23 o   17.801   4.5596   52.210   19.212   52.210   19.212   52.210   19.212   17.801   4.5596   17.801   4.5596 0.000000 0.000000 
1 1 1    7    0   24 o   17.694   4.4638   51.877   18.704   51.877   18.704   51.877   18.704   17.694   4.4638   17.694   4.4638 0.000000 0.000000 
1 1 1    7    0   25 o   27.778   2.8993  112.448   21.503  112.448   21.503  112.448   21.503   27.778   2.8993   27.778   2.8993 0.000000 0.000000 
1 1 1    7    0   26 o   28.718   2.8764  121.459   22.099  121.459   22.099  121.459   22.099   28.718   2.8764   28.718   2.8764 0.000000 0.000000 
1 1 1    7    0   27 o   6.6418   4.2364   5.0204   17.077   5.0204   17.077   5.0204   17.077   6.6418   4.2364   6.6418   4.2364 0.000000 0.000000 
1 1 1    7    1    0 o  476.171   4.9524 31085.10  645.600 31085.10  645.600 31085.10  645.600  476.171   4.9524  476.171   4.9524 0.000000 0.000000 
1 1 1    7    1    1 o  231.232   1.5948  7322.23  100.982  7305.55  142.481  7339.06  143.141  230.945   2.2530  231.473   2.2583 -0.5288849 3.189943 
1 1 1    7    1    2 o  285.452   2.2100 11160.90  172.745 10846.32  227.311 11590.95  265.770  281.356   2.9504  290.824   3.3372 -9.468567 4.454409 
1 1 1    7    1    3 o   50.698   0.7154  351.928   9.9312  347.943   15.187  354.906   13.127   50.408   1.1002   50.911   0.9416 -0.5025368 1.448132 
1 1 1    7    1    4 o   81.591   0.8090  911.519   18.076  929.994   25.905  893.990   25.233   82.411   1.1479   80.800   1.1404 1.610931 1.618125 
1 1 1    7    1    5 o  220.981   1.8159  6688.04  109.884  6879.90  160.128  6517.28  151.066  224.092   2.6095  218.111   2.5293 5.981445 3.634088 
1 1 1    7    1    6 o   99.234   1.3683  1348.54   37.181  1412.80   50.714  1273.85   54.673  101.564   1.8235   96.436   2.0703 5.128410 2.758857 
1 1 1    7    1    7 o  255.973   2.4891  8977.19  174.476  9055.15  268.797  8920.42  229.361  256.966   3.8200  255.100   3.2834 1.866425 5.037127 
1 1 1    7    1    8 o   66.860   0.8924  612.112   16.338  614.953   21.988  608.610   24.413   67.012   1.1982   66.664   1.3373 0.3479156 1.795615 
1 1 1    7    1    9 o  247.152   2.1323  8369.44  144.310  8480.08  196.190  8239.00  213.018  248.707   2.8807  245.112   3.1737 3.594833 4.286112 
1 1 1    7    1   10 o   59.579   0.8464  486.092   13.809  476.939   19.366  495.559   19.695   59.011   1.1984   60.152   1.1957 -1.140965 1.692884 
1 1 1    7    1   11 o   39.378   1.1710  212.402   12.627  193.439   17.547  232.769   18.185   37.570   1.7056   41.215   1.6113 -3.644829 2.346322 
1 1 1    7    1   12 o  181.014   1.6067  4491.36   79.642  4535.29  107.695  4438.35  118.312  181.812   2.1631  179.815   2.4028 1.997040 3.233034 
1 1 1    7    1   13 o  128.527   1.3704  2264.31   48.232  2329.65   73.444  2214.75   63.957  130.277   2.0587  127.056   1.8382 3.220985 2.759971 
1 1 1    7    1   14 o   46.496   0.9229  296.165   11.751  296.015   16.624  296.316   16.613   46.470   1.3064   46.494   1.3048 -0.2368546E-01 1.846421 
1 1 1    7    1   15 o   43.112   0.9651  254.663   11.393  261.105   16.254  248.441   15.974   43.639   1.3602   42.567   1.3704 1.071911 1.930828 
1 1 1    7    1   16 o   93.016   1.1763  1186.01   29.962  1192.72   42.563  1179.41   42.186   93.223   1.6673   92.702   1.6618 0.5210419 2.354068 
1 1 1    7    1   17 o   18.086   2.2730   45.720   11.009   69.933   16.728   27.221   14.621   22.342   2.7953   13.781   3.7668 8.560736 4.690676 
1 1 1    7    1   18 o   42.119   1.2405  243.352   14.308  241.219   20.479  245.386   19.998   41.892   1.7852   42.257   1.7282 -0.3654060 2.484694 
1 1 1    7    1   19 o   14.190   3.4013   29.132   13.045   34.029   20.848   25.981   16.722   15.416   4.5939   13.565   4.1307 1.851130 6.177905 
1 1 1    7    1   20 o   83.525   1.1161  957.259   25.528  929.968   37.890  979.946   34.546   82.214   1.6830   84.438   1.4941 -2.223785 2.250542 
1 1 1    7    1   21 f   27.442   1.9455  104.392   14.525  110.833   21.998   99.413   19.340   28.075   2.9032   26.626   2.6894 1.449509 3.957467 
1 1 1    7    1   22 o   39.912   1.3775  219.133   15.055  238.838   21.568  200.409   21.024   41.581   1.8942   38.012   2.0271 3.568451 2.774333 
1 1 1    7    1   23 o   13.659   3.5974   27.646   13.642   12.503   19.205   43.069   19.382   11.164   4.3534   16.907   4.2041 -5.743011 6.052027 
1 1 1    7    1   24 o   15.541   3.2062   35.950   13.191   26.038   18.873   45.418   18.445   13.269   4.4280   17.208   3.9917 -3.939282 5.961635 
1 1 1    7    1   25 o   22.295   2.3495   71.788   14.128   72.909   18.936   70.380   21.219   21.979   3.2437   21.247   3.7858 0.7318192 4.985373 
1 1 1    7    1   26 f   29.102   1.9862  121.801   15.734  117.629   22.296  125.940   22.207   27.794   2.9757   28.890   2.8439 -1.095442 4.116135 
1 1 1    7    1   27 o   10.254   3.6680   16.626   13.046   12.700   17.230   21.900   19.971   9.9100   4.0359   11.509   4.4529 -1.598730 6.009706 
1 1 1    7    2    0 o  149.516   2.0542  3063.07   84.069  3063.07   84.069  3063.07   84.069  149.516   2.0542  149.516   2.0542 0.000000 0.000000 
1 1 1    7    2    1 o  141.356   1.0628  2736.08   41.138  2736.70   60.802  2735.55   55.868  141.364   1.5707  141.337   1.4435 0.2745056E-01 2.133241 
1 1 1    7    2    2 o  167.658   1.1865  3849.08   54.475  3884.78   77.829  3814.79   76.273  168.423   1.6875  166.899   1.6689 1.523697 2.373364 
1 1 1    7    2    3 f  280.125   1.9944 10747.58  152.983 10748.88  225.392 10746.47  208.318  280.087   2.9387  280.070   2.7162 0.1644897E-01 4.001746 
1 1 1    7    2    4 o  387.382   2.9810 20562.39  316.220 20666.19  471.550 20477.57  426.275  388.176   4.4362  386.459   4.0281 1.717529 5.992082 
1 1 1    7    2    5 o  133.651   1.4123  2446.15   51.689  3002.33   98.270  2233.41   60.776  148.040   2.4241  127.701   1.7380 20.33965 2.982779 
1 1 1    7    2    6 o  103.508   1.6011  1467.30   45.381  1785.33   69.327  1228.85   60.030  114.163   2.2176   94.712   2.3146 19.45053 3.205496 
1 1 1    7    2    7 o  144.168   1.3853  2846.39   54.689  3050.37   83.461  2692.90   72.398  149.225   2.0424  140.214   1.8856 9.011215 2.779756 
1 1 1    7    2    8 o  162.343   1.3744  3609.37   61.098  3716.52   88.859  3513.29   84.145  164.714   1.9701  160.149   1.9187 4.564789 2.750031 
1 1 1    7    2    9 o  114.858   1.2135  1806.72   38.166  1805.72   50.541  1808.04   58.221  114.815   1.6075  114.881   1.8507 -0.6560516E-01 2.451372 
1 1 1    7    2   10 o  152.322   1.4605  3178.37   60.919  3266.57   86.849  3092.94   85.474  154.383   2.0544  150.223   2.0778 4.160873 2.921936 
1 1 1    7    2   11 o   76.609   1.0119  803.826   21.227  786.086   30.878  819.721   29.229   75.744   1.4887   77.351   1.3799 -1.607460 2.029908 
1 1 1    7    2   12 f  129.954   1.2551  2313.98   44.665  2325.73   63.456  2302.44   62.880  130.235   1.7793  129.582   1.7720 0.6529999 2.511200 
1 1 1    7    2   13 o   55.936   0.8812  428.605   13.497  441.483   19.655  417.115   18.567   56.756   1.2647   55.169   1.2290 1.587109 1.763486 
1 1 1    7    2   14 o   96.107   1.0554  1265.63   27.777  1283.16   44.126  1254.12   35.748   96.715   1.6661   95.645   1.3649 1.070450 2.153825 
1 1 1    7    2   15 o   70.294   0.9566  677.022   18.414  698.147   28.552  661.978   24.095   71.350   1.4613   69.491   1.2662 1.858749 1.933595 
1 1 1    7    2   16 o   37.567   1.2840  193.503   13.209  190.103   18.681  196.903   18.679   37.207   1.8336   37.869   1.8013 -0.6615753 2.570328 
1 1 1    7    2   17 o   15.192   2.7093   32.778   10.857   28.683   16.512   35.898   14.411   14.179   4.0508   15.798   3.4295 -1.618330 5.307612 
1 1 1    7    2   18 o   28.984   1.4477  115.323   11.490  110.589   16.361  119.929   16.140   28.262   2.1298   29.454   2.0131 -1.192457 2.930635 
1 1 1    7    2   19 o   72.774   1.1581  726.552   23.078  734.595   33.189  719.022   32.112   73.100   1.6580   72.328   1.6214 0.7726212 2.318986 
1 1 1    7    2   20 o   34.361   1.5264  162.317   14.363  169.532   19.192  153.132   21.655   35.008   2.0104   33.192   2.3986 1.815639 3.129674 
1 1 1    7    2   21 o   34.639   1.4919  165.028   14.152  171.248   19.996  158.786   20.031   35.151   2.0868   33.825   2.1741 1.325546 3.013496 
1 1 1    7    2   22 o   24.431   2.2590   83.464   14.942   69.845   22.355   94.461   20.088   21.880   3.8729   25.842   2.8882 -3.961750 4.831253 
1 1 1    7    2   23 f   35.488   1.6420  174.111   15.957  161.055   20.659  193.416   25.122   33.922   2.2366   37.095   2.4875 -3.172714 3.345146 
1 1 1    7    2   24 o   31.890   1.6992  141.803   14.785  140.534   22.243  142.808   19.790   31.365   2.6136   31.772   2.2900 -0.4064159 3.474885 
1 1 1    7    2   25 o   22.024   2.2716   69.932   13.503   59.562   19.114   80.265   19.080   19.523   3.7108   23.146   3.0872 -3.622784 4.827148 
1 1 1    7    2   26 o   17.067   3.6171   47.270   16.380   48.132   21.571   46.096   25.172   16.430   4.6079   15.663   5.1085 0.7671566 6.879685 
1 1 1    7    2   27 o   5.8748   2.7892 -11.3501   12.131  -5.1927   16.638 -18.3380   17.725   7.6133   3.4965   6.7836   3.2612 0.8296595 4.781338 
1 1 1    7    3    0 o  204.796   2.6942  5747.23  151.030  5747.23  151.030  5747.23  151.030  204.796   2.6942  204.796   2.6942 0.000000 0.000000 
1 1 1    7    3    1 o  154.939   1.4919  3287.46   63.297  3337.72   90.897  3240.15   88.196  156.103   2.1264  153.806   2.0940 2.297531 2.984400 
1 1 1    7    3    2 o  109.862   1.0061  1652.68   30.267  1687.99   49.173  1631.14   38.403  111.021   1.6175  109.140   1.2850 1.881226 2.065749 
1 1 1    7    3    3 o  247.556   1.8480  8393.36  125.276  8265.12  191.475  8489.34  165.652  245.608   2.8470  248.941   2.4300 -3.332993 3.743017 
1 1 1    7    3    4 o  191.332   1.7856  5013.74   93.553  4996.36  132.631  5030.95  131.978  190.971   2.5362  191.632   2.5150 -0.6608429 3.571813 
1 1 1    7    3    5 o  128.365   1.3630  2256.47   47.912  2278.65   65.761  2231.36   69.948  128.984   1.8618  127.636   2.0013 1.348709 2.733419 
1 1 1    7    3    6 o  116.297   1.2623  1852.13   40.199  1954.82   56.498  1746.84   57.209  119.469   1.7270  112.932   1.8499 6.536591 2.530761 
1 1 1    7    3    7 o  195.624   1.9249  5242.00  103.115  5236.75  136.187  5249.05  157.852  195.494   2.5440  195.698   2.9456 -0.2039337 3.892100 
1 1 1    7    3    8 o   50.598   0.8610  350.568   11.930  359.681   17.167  342.057   16.590   51.249   1.2233   49.977   1.2122 1.271202 1.722178 
1 1 1    7    3    9 o   75.508   0.9413  780.762   19.462  860.787   30.809  727.618   25.106   79.275   1.4192   72.888   1.2579 6.386635 1.896426 
1 1 1    7    3   10 f  118.375   1.3220  1919.46   42.852  1940.03   50.562  1867.04   80.737  118.997   1.5517  116.676   2.5270 2.320969 2.965343 
1 1 1    7    3   11 o  121.708   1.2965  2029.42   43.209  1993.17   77.737  2045.62   51.978  120.530   2.3553  122.177   1.5536 -1.646408 2.821513 
1 1 1    7    3   12 o  131.718   1.2691  2377.43   45.776  2403.83   65.395  2352.06   64.099  132.392   1.8038  130.960   1.7874 1.431427 2.539401 
1 1 1    7    3   13 o  112.113   1.0891  1722.28   33.436  1753.64   49.552  1696.08   45.303  113.079   1.6003  111.220   1.4875 1.858818 2.184838 
1 1 1    7    3   14 o   87.809   1.0057  1056.44   24.181  1072.89   38.211  1045.46   31.230   88.444   1.5777   87.330   1.3059 1.113922 2.048103 
1 1 1    7    3   15 o   16.351   2.1273   37.348   9.2993   38.140   13.257   36.582   13.048   16.368   3.0706   16.020   3.0861 0.3480434 4.353458 
1 1 1    7    3   16 o   17.239   2.8697   42.068   13.071   46.394   19.848   38.755   17.369   17.921   4.1294   16.388   3.9225 1.532604 5.695459 
1 1 1    7    3   17 o   38.299   1.1277  201.102   11.827  195.386   16.952  206.524   16.509   37.722   1.6411   38.788   1.5543 -1.065983 2.260361 
1 1 1    7    3   18 o   61.239   0.9683  514.098   16.237  499.211   22.720  529.640   23.214   60.309   1.3757   62.121   1.3647 -1.812096 1.937766 
1 1 1    7    3   19 o   22.099   2.3438   68.157   13.966   54.927   20.620   79.371   18.984   19.456   4.0038   23.738   2.9866 -4.281429 4.995041 
1 1 1    7    3   20 o   97.124   1.1094  1294.38   29.504  1315.54   42.094  1273.95   41.367   97.806   1.5717   96.248   1.5695 1.558144 2.221168 
1 1 1    7    3   21 o   56.787   1.1120  442.673   17.291  462.058   24.657  423.917   24.255   57.945   1.5540   55.494   1.5961 2.450806 2.227632 
1 1 1    7    3   22 o   36.157   1.5985  180.224   15.827  178.896   23.928  181.257   21.102   35.778   2.4572   36.101   2.1442 -0.3234406 3.261193 
1 1 1    7    3   23 o   18.039   3.1283   47.403   14.893   31.674   19.300   70.552   23.415   14.557   4.4388   21.716   4.0875 -7.159192 6.034071 
1 1 1    7    3   24 o   20.537   2.7799   61.261   15.231   82.369   26.050   50.297   18.775   23.063   4.2825   18.093   3.9040 4.969805 5.794921 
1 1 1    7    3   25 o   30.099   1.7318  127.729   14.214  122.500   19.971  133.097   20.234   28.999   2.5405   30.290   2.4607 -1.290823 3.536878 
1 1 1    7    3   26 o   20.521   2.6618   63.412   14.605   63.036   17.554   64.257   26.326   19.979   3.3255   18.563   5.0465 1.415737 6.043683 
1 1 1    7    3   27 o   8.3289   3.4495   6.7493   12.863   18.027   19.440  -2.0329   17.155   10.850   4.3335   8.0222   3.6324 2.827754 5.654566 
1 1 1    7    4    0 o  155.858   1.8811  3327.92   80.256  3327.92   80.256  3327.92   80.256  155.858   1.8811  155.858   1.8811 0.000000 0.000000 
1 1 1    7    4    1 o   81.322   1.2257  905.600   27.294  718.527   48.615  991.711   32.983   72.423   2.4513   85.099   1.4154 -12.67602 2.830623 
1 1 1    7    4    2 o   94.046   1.1927  1211.16   30.716  2097.78   72.597  1017.84   33.899  123.754   2.1423   86.212   1.4359 37.54185 2.578985 
1 1 1    7    4    3 o  110.626   1.3551  1675.91   41.052  1475.55   57.542  1883.59   58.585  103.792   2.0245  117.272   1.8243 -13.48044 2.725236 
1 1 1    7    4    4 o   70.859   1.3837  687.591   26.849  633.741   40.297  730.578   36.004   68.019   2.1635   73.036   1.8002 -5.017143 2.814510 
1 1 1    7    4    5 o   64.845   0.9910  575.775   17.596  689.421   30.896  521.216   21.407   70.950   1.5902   61.694   1.2671 9.256500 2.033336 
1 1 1    7    4    6 o   94.566   0.9566  1224.55   24.771  1280.59   37.829  1182.48   32.776   96.699   1.4286   92.923   1.2881 3.775764 1.923536 
1 1 1    7    4    7 o   58.747   1.2211  472.623   19.644  450.501   26.970  497.620   28.669   57.350   1.7173   60.274   1.7369 -2.924374 2.442579 
1 1 1    7    4    8 o   81.059   0.9473  899.757   21.026  893.949   32.444  903.963   27.609   80.788   1.4666   81.244   1.2410 -0.4554520 1.921167 
1 1 1    7    4    9 o   97.356   0.9525  1298.00   25.394  1310.00   36.344  1286.56   35.495   97.795   1.3572   96.916   1.3375 0.8781128 1.905448 
1 1 1    7    4   10 o  136.310   1.3422  2545.40   50.100  2552.38   63.273  2533.67   82.029  136.474   1.6931  135.931   2.2037 0.5428925 2.779027 
1 1 1    7    4   11 o   78.813   1.0172  850.849   21.952  831.313   31.878  868.467   30.274   77.883   1.4947   79.610   1.3887 -1.726654 2.040266 
1 1 1    7    4   12 o   46.095   0.8929  291.047   11.271  288.700   16.083  293.312   15.798   45.898   1.2797   46.264   1.2470 -0.3662949 1.786802 
1 1 1    7    4   13 o   61.379   0.9266  516.115   15.575  540.689   25.199  500.926   19.812   62.796   1.4654   60.457   1.1967 2.338680 1.891990 
1 1 1    7    4   14 o   57.014   0.8644  445.302   13.495  456.634   19.667  435.219   18.552   57.718   1.2444   56.350   1.2023 1.367577 1.730308 
1 1 1    7    4   15 o   70.131   0.9482  673.900   18.210  674.603   28.475  673.413   23.687   70.130   1.4828   70.087   1.2342 0.4245758E-01 1.929201 
1 1 1    7    4   16 o   8.4041   3.4605   3.0281   12.842   6.0853   19.597   0.7269   17.002   10.552   4.3016   9.1925   3.8965 1.359368 5.803967 
1 1 1    7    4   17 o   14.928   2.6621   31.663   10.483   26.577   15.008   36.508   14.649   13.635   3.8504   15.921   3.4589 -2.286225 5.175890 
1 1 1    7    4   18 o   36.096   1.2409  178.765   12.266  197.238   17.522  161.015   17.175   37.882   1.6891   34.166   1.8426 3.716236 2.499640 
1 1 1    7    4   19 o   61.542   1.1747  519.690   19.796  523.083   28.566  516.556   27.458   61.670   1.6916   61.293   1.6359 0.3770561 2.353218 
1 1 1    7    4   20 o   38.145   1.4101  199.951   14.729  195.451   19.617  205.766   22.300   37.608   1.9112   38.550   2.1206 -0.9416542 2.854767 
1 1 1    7    4   21 o   60.281   1.0918  498.837   18.023  479.843   25.021  519.318   25.982   59.044   1.5475   61.426   1.5446 -2.381264 2.186504 
1 1 1    7    4   22 o   63.812   1.1103  559.512   19.401  582.070   27.880  538.333   27.015   64.972   1.5670   62.480   1.5790 2.492058 2.224596 
1 1 1    7    4   23 o   39.347   1.5278  214.037   16.462  199.944   21.656  233.329   25.337   37.813   2.0997   40.784   2.2778 -2.970142 3.097902 
1 1 1    7    4   24 o   20.868   2.6066   63.023   14.571   53.877   22.803   69.334   18.941   18.331   4.5612   21.566   3.3135 -3.234226 5.637670 
1 1 1    7    4   25 o   11.911   3.7826   22.399   13.864   19.473   20.795   24.740   18.602   11.749   4.5444   12.489   4.3890 -0.7403412 6.317837 
1 1 1    7    4   26 o   13.171   3.5177   28.498   12.927   12.840   16.490   53.464   20.823   9.9743   3.9886   17.441   4.3691 -7.466938 5.915883 
1 1 1    7    5    0 o   41.413   1.4102  235.652   15.950  235.652   15.950  235.652   15.950   41.413   1.4102   41.413   1.4102 0.000000 0.000000 
1 1 1    7    5    1 o   71.617   1.1566  702.341   22.682  491.170   36.079  840.352   29.167   59.881   2.2003   78.336   1.3597 -18.45564 2.586530 
1 1 1    7    5    2 o  118.959   1.6365  1938.05   53.308  1857.93   84.155  1991.74   68.893  116.450   2.6391  120.586   2.0864 -4.135918 3.364177 
1 1 1    7    5    3 o   80.432   0.8778  885.838   19.333  964.724   34.199  848.785   23.438   83.931   1.4880   78.731   1.0872 5.200684 1.842816 
1 1 1    7    5    4 o  211.220   1.6544  6110.28   95.691  6072.80  141.575  6141.81  129.840  210.534   2.4557  211.738   2.2393 -1.204636 3.323427 
1 1 1    7    5    5 o   55.763   1.1473  425.809   17.518  379.050   29.722  450.699   21.685   52.603   2.0634   57.367   1.3804 -4.764496 2.482582 
1 1 1    7    5    6 o   89.441   1.1849  1095.49   29.020  835.016   45.083  1279.78   37.921   78.071   2.1088   96.667   1.4326 -18.59614 2.549361 
1 1 1    7    5    7 o   85.012   0.9481  989.651   22.070  977.549   29.220  1005.73   33.677   84.486   1.2630   85.691   1.4352 -1.205727 1.911774 
1 1 1    7    5    8 o  154.136   1.3186  3254.07   55.654  3319.99   74.252  3169.55   84.072  155.668   1.7419  152.084   2.0187 3.584412 2.666350 
1 1 1    7    5    9 o   15.645   2.1048   34.160   8.7888   39.761   12.270   28.258   12.595   16.804   2.7624   14.063   3.3233 2.740712 4.321450 
1 1 1    7    5   10 o   95.688   1.0418  1254.17   27.297  1257.16   37.399  1250.77   39.934   95.785   1.4258   95.536   1.5265 0.2490921 2.088808 
1 1 1    7    5   11 o  118.309   1.2742  1918.01   41.282  1914.47   61.549  1920.91   55.657  118.139   1.9026  118.358   1.7173 -0.2186890 2.562945 
1 1 1    7    5   12 o   18.285   1.9575   46.411   9.6491   83.048   15.646   23.924   12.258   24.472   2.3642   12.940   3.4110 11.53231 4.150222 
1 1 1    7    5   13 o   15.968   2.3214   35.767   9.8533   40.746   14.272   31.232   13.620   16.918   3.1978   14.751   3.4359 2.166981 4.693725 
1 1 1    7    5   14 o   75.198   0.8890  774.692   18.306  799.381   26.943  753.524   24.948   76.361   1.2885   74.143   1.2288 2.218353 1.780511 
1 1 1    7    5   15 o   55.392   1.0039  420.472   15.227  434.660   26.143  413.187   18.733   56.273   1.6965   54.897   1.2461 1.376137 2.104980 
1 1 1    7    5   16 o   16.852   2.7602   40.184   12.296   45.034   17.443   35.394   17.336   17.689   3.7191   15.656   4.0222 2.033580 5.478122 
1 1 1    7    5   17 o   47.080   1.0154  303.860   13.090  317.210   18.844  291.410   18.198   48.073   1.4314   46.076   1.4423 1.997272 2.032034 
1 1 1    7    5   18 o   18.355   2.3006   47.186   11.309   49.257   16.120   45.178   15.870   18.560   3.2924   17.736   3.3912 0.8234539 4.726552 
1 1 1    7    5   19 o   54.833   1.1459  412.571   17.206  419.084   26.661  407.921   22.525   55.181   1.7644   54.479   1.5099 0.7019081 2.322268 
1 1 1    7    5   20 o   70.262   1.1004  677.510   21.172  704.042   28.629  645.484   31.454   71.561   1.4610   68.475   1.6774 3.085365 2.224472 
1 1 1    7    5   21 o   13.646   3.7663   27.174   14.535   20.401   22.242   32.222   19.202   12.997   4.7696   14.864   4.4041 -1.866374 6.491964 
1 1 1    7    5   22 o   5.3433   2.6268 -27.0160   13.386 -23.0149   18.911 -31.0334   18.950   7.2436   3.4513   6.7285   3.2677 0.5151048 4.752845 
1 1 1    7    5   23 o   44.421   1.6253  273.481   19.771  324.968   30.487  236.115   25.972   48.125   2.3134   40.956   2.3254 7.168949 3.280136 
1 1 1    7    5   24 o   10.442   3.7636   14.829   13.759   12.389   21.322   16.571   18.011   11.088   4.4995   11.278   4.2620 -0.1898832 6.197588 
1 1 1    7    5   25 o   10.333   3.6071   15.944   12.554   2.5363   17.768   29.310   17.741   8.9253   3.8851   13.259   4.2862 -4.333677 5.784914 
1 1 1    7    5   26 o   6.0152   2.8483 -11.2686   12.489   3.2733   16.106 -33.2045   19.781   8.5025   3.7000   6.4229   3.1644 2.079641 4.868577 
1 1 1    7    6    0 o  152.023   2.4459  3167.78  101.760  3167.78  101.760  3167.78  101.760  152.023   2.4459  152.023   2.4459 0.000000 0.000000 
1 1 1    7    6    1 o  290.232   2.8260 11543.30  224.601 11403.18  293.921 11739.96  348.199  288.372   3.7221  292.518   4.3470 -4.146271 5.722774 
1 1 1    7    6    2 o  154.743   1.3928  3279.29   59.018  3508.03   85.404  3070.21   81.651  160.032   1.9489  149.712   1.9917 10.32051 2.786544 
1 1 1    7    6    3 o  100.244   1.2462  1376.13   34.209  1359.54   46.636  1395.46   50.332   99.630   1.7094  100.935   1.8210 -1.305069 2.497596 
1 1 1    7    6    4 o  140.911   1.6967  2719.59   65.470  2186.40   78.263  3962.52  119.492  126.328   2.2624  170.052   2.5661 -43.72395 3.420975 
1 1 1    7    6    5 o  175.092   1.4049  4198.69   67.358  4191.12   91.812  4207.50   99.126  174.913   1.9168  175.247   2.0656 -0.3341980 2.817977 
1 1 1    7    6    6 o   99.378   1.1146  1352.48   30.332  1266.51   44.799  1425.25   41.215   96.154   1.7014  102.008   1.4755 -5.854393 2.252098 
1 1 1    7    6    7 o   97.547   1.0160  1303.11   27.138  1315.08   36.852  1288.94   40.113   97.985   1.3734   97.002   1.5101 0.9826050 2.041285 
1 1 1    7    6    8 f   76.920   0.8849  810.267   18.640  796.644   24.771  828.048   28.301   76.264   1.1862   77.749   1.3293 -1.484795 1.781555 
1 1 1    7    6    9 o  111.845   1.1091  1713.51   33.968  1727.76   46.095  1696.57   50.250  112.289   1.4991  111.261   1.6493 1.027657 2.228784 
1 1 1    7    6   10 o  129.929   1.4521  2313.72   51.665  2318.60   73.153  2308.87   72.978  130.001   2.0549  129.728   2.0543 0.2730103 2.905693 
1 1 1    7    6   11 o   44.568   0.9610  272.107   11.729  250.492   17.827  288.603   15.574   42.743   1.5231   45.890   1.2393 -3.147255 1.963626 
1 1 1    7    6   12 o   40.564   1.1676  225.499   12.970  256.989   22.934  210.693   15.726   43.269   1.9356   39.200   1.4651 4.069721 2.427517 
1 1 1    7    6   13 o   8.3938   3.0313   8.0657   8.9320   18.120   12.936  -1.0947   12.348   11.540   3.6527   7.6089   3.2752 3.931095 4.906072 
1 1 1    7    6   14 o   23.329   1.4808   74.953   9.4111   88.560   13.828   63.212   12.845   25.311   2.0116   21.328   2.2324 3.983362 3.005048 
1 1 1    7    6   15 o   37.584   1.0817  193.616   11.132  192.068   16.251  194.985   15.280   37.410   1.5864   37.699   1.4802 -0.2887497 2.169723 
1 1 1    7    6   16 f   25.360   2.0166   89.000   13.889  114.516   22.188   72.562   17.809   28.652   2.8665   22.731   2.9292 5.920328 4.098416 
1 1 1    7    6   17 o   26.622   1.6612   97.763   12.050   84.569   18.740  107.063   15.734   24.566   2.8381   27.808   2.0813 -3.242571 3.519455 
1 1 1    7    6   18 o   33.523   1.4379  154.351   13.200  162.221   17.983  145.158   19.435   34.272   1.9240   32.367   2.2059 1.904068 2.927082 
1 1 1    7    6   19 o   46.091   1.2549  291.686   15.839  290.154   24.289  292.820   20.892   45.882   1.9332   46.133   1.6538 -0.2512360 2.544079 
1 1 1    7    6   20 o   38.268   1.3486  201.268   14.132  208.258   19.907  194.168   20.065   38.860   1.8708   37.458   1.9629 1.401226 2.711634 
1 1 1    7    6   21 o   56.627   1.1890  440.660   18.437  452.059   24.536  425.878   27.941   57.278   1.5643   55.528   1.8376 1.749977 2.413242 
1 1 1    7    6   22 o   47.609   1.2214  312.018   15.924  303.737   22.436  320.424   22.604   46.841   1.7492   48.121   1.7154 -1.279617 2.449904 
1 1 1    7    6   23 o   21.899   2.4380   68.487   14.371   65.281   19.137   72.633   21.764   20.954   3.4556   21.981   3.7503 -1.027020 5.099610 
1 1 1    7    6   24 o   25.807   2.0225   94.746   14.178   96.793   21.700   93.221   18.729   25.405   3.1895   25.199   2.7592 0.2061424 4.217364 
1 1 1    7    6   25 o   22.474   2.4371   74.576   14.758   63.770   21.129   84.870   20.621   19.555   4.0779   23.305   3.3256 -3.750549 5.262035 
1 1 1    7    6   26 o   13.412   3.2523   29.264   11.822   22.381   16.441   36.631   17.011   11.519   4.1181   14.408   4.1099 -2.889441 5.818080 
1 1 1    7    7    0 o   51.609   2.4677  367.308   34.693  367.308   34.693  367.308   34.693   51.609   2.4677   51.609   2.4677 0.000000 0.000000 
1 1 1    7    7    1 o   89.743   1.2803  1102.93   31.463  1027.32   47.811  1160.68   41.786   86.599   2.0162   92.055   1.6576 -5.456924 2.610124 
1 1 1    7    7    2 o   85.877   0.9643  1009.88   22.678  1061.98   36.418  976.888   28.983   88.057   1.5103   84.459   1.2532 3.597382 1.962491 
1 1 1    7    7    3 o  129.370   1.4889  2292.30   52.748  2204.36   71.778  2395.54   77.775  126.846   2.0665  132.229   2.1480 -5.382858 2.980604 
1 1 1    7    7    4 o  213.309   1.6052  6232.53   93.762  6329.41  135.396  6143.26  129.968  214.913   2.3007  211.734   2.2416 3.179230 3.212141 
1 1 1    7    7    5 o  157.988   1.2245  3418.46   52.975  3501.77   77.657  3345.95   72.450  159.876   1.7738  156.282   1.6929 3.593491 2.452027 
1 1 1    7    7    6 o  155.462   1.2702  3310.32   54.073  3433.53   76.679  3188.43   76.265  158.301   1.7689  152.542   1.8258 5.758392 2.542134 
1 1 1    7    7    7 o  160.630   1.7326  3535.85   76.210  3643.03   96.340  3356.63  124.577  163.007   2.1583  156.382   2.9091 6.625137 3.622319 
1 1 1    7    7    8 o   62.444   0.8829  534.025   15.098  537.272   19.890  529.609   23.192   62.627   1.1598   62.173   1.3622 0.4540329 1.789051 
1 1 1    7    7    9 o   33.466   1.2109  153.452   11.097  131.644   15.367  177.222   16.042   30.930   1.8223   35.955   1.6294 -5.024824 2.444560 
1 1 1    7    7   10 o   20.382   1.5262   57.274   8.4560   48.559   11.943   66.037   11.975   18.650   2.3938   21.842   2.0251 -3.192755 3.135468 
1 1 1    7    7   11 o   69.513   0.9223  661.970   17.557  689.384   28.129  644.476   22.471   70.908   1.4487   68.575   1.1966 2.333275 1.878975 
1 1 1    7    7   12 o  118.743   1.1258  1932.26   36.607  1973.29   54.814  1899.22   49.183  119.932   1.6690  117.679   1.5263 2.253334 2.261674 
1 1 1    7    7   13 o   40.822   1.1232  228.389   12.556  237.908   19.046  221.072   16.698   41.639   1.6704   40.146   1.5189 1.492760 2.257731 
1 1 1    7    7   14 o   62.641   0.9354  537.661   16.044  527.613   24.552  545.149   21.196   62.019   1.4457   63.058   1.2275 -1.038452 1.896523 
1 1 1    7    7   15 o   78.554   1.0033  845.757   21.581  872.255   34.227  828.270   27.805   79.715   1.5680   77.709   1.3066 2.005791 2.041037 
1 1 1    7    7   16 f   14.386   3.4522   29.883   13.426   44.417   36.025   27.539   14.468   18.100   6.1174   13.833   3.7331 4.267319 7.166503 
1 1 1    7    7   17 o   44.304   1.0862  269.202   13.178  265.210   18.383  273.422   18.900   43.939   1.5278   44.612   1.5471 -0.6732368 2.174386 
1 1 1    7    7   18 o   14.924   2.9760   32.000   11.736   40.343   16.486   23.429   16.710   16.662   3.7086   13.005   4.1552 3.657698 5.569510 
1 1 1    7    7   19 o   69.426   1.0905  661.444   20.731  667.075   27.125  653.535   32.148   69.666   1.4219   68.898   1.7039 0.7683487 2.219265 
1 1 1    7    7   20 o   25.765   1.8684   92.080   13.093  113.061   18.387   70.498   18.648   28.458   2.3813   22.238   3.1504 6.220224 3.949136 
1 1 1    7    7   21 o   43.834   1.3083  264.403   15.703  296.947   21.303  225.674   23.239   46.378   1.6774   40.281   2.1142 6.097656 2.698826 
1 1 1    7    7   22 o   18.743   2.7661   50.596   13.770   66.320   20.341   37.297   18.708   21.174   3.6393   15.646   4.2543 5.527911 5.598530 
1 1 1    7    7   23 o   19.949   2.3932   57.173   12.812   51.126   17.953   63.450   18.291   18.274   3.7142   20.593   3.3594 -2.318867 5.008101 
1 1 1    7    7   24 o   12.103   3.8894   23.166   14.625   63.651   24.306   0.1914   18.310   19.374   4.6422   8.8330   3.8915 10.54143 6.057569 
1 1 1    7    7   25 o   19.523   2.4921   56.941   13.019   52.956   19.199   60.334   17.714   17.669   4.0541   19.403   3.4608 -1.733839 5.330359 
1 1 1    7    7   26 o   13.774   3.1804   30.807   11.753   25.616   16.038   36.829   17.274   12.095   4.0817   14.332   4.1580 -2.237066 5.826601 
1 1 1    7    8    0 o  185.925   2.2233  4737.10  113.160  4737.10  113.160  4737.10  113.160  185.925   2.2233  185.925   2.2233 0.000000 0.000000 
1 1 1    7    8    1 o  142.940   1.4751  2798.60   57.737  2672.61   85.384  2904.74   78.370  139.650   2.2328  145.603   1.9656 -5.953156 2.974693 
1 1 1    7    8    2 o  157.291   1.4119  3388.70   60.814  3430.45   93.393  3357.97   80.130  158.216   2.1556  156.553   1.8691 1.662811 2.853135 
1 1 1    7    8    3 o  172.406   1.5328  4071.72   72.363  4305.89  115.756  3921.50   92.711  177.232   2.3851  169.166   2.0014 8.065720 3.113564 
1 1 1    7    8    4 o   49.297   1.0516  332.824   14.196  281.391   20.473  380.449   19.701   45.319   1.6497   52.701   1.3651 -7.381916 2.141311 
1 1 1    7    8    5 o  136.660   1.1971  2558.08   44.800  2605.38   65.720  2517.02   61.231  137.887   1.7405  135.535   1.6498 2.352463 2.398177 
1 1 1    7    8    6 o  118.814   1.0276  1933.49   33.433  1936.46   46.981  1930.45   47.589  118.885   1.4431  118.699   1.4641 0.1857071 2.055778 
1 1 1    7    8    7 o  191.682   1.7958  5037.23   94.259  5057.00  134.655  5018.23  131.989  191.927   2.5621  191.198   2.5210 0.7290192 3.594374 
1 1 1    7    8    8 o   66.652   0.8993  608.497   16.414  682.837   26.396  561.623   20.960   70.587   1.3656   64.023   1.1955 6.564087 1.814976 
1 1 1    7    8    9 o   89.068   1.0812  1086.95   26.370  1086.95   39.199  1086.95   35.641   89.030   1.6079   89.042   1.4617 -0.1203156E-01 2.172992 
1 1 1    7    8   10 o   36.685   1.0341  184.395   10.388  194.350   16.717  178.131   13.260   37.643   1.6218   36.048   1.3433 1.595058 2.105812 
1 1 1    7    8   11 o  134.351   1.3136  2474.40   48.329  2397.06   75.358  2528.44   62.988  132.113   2.0830  135.755   1.6944 -3.642456 2.685142 
1 1 1    7    8   12 o   13.643   2.3362   26.304   8.4136   40.801   12.107   12.767   11.700   17.011   2.6885   10.099   3.4847 6.912212 4.401288 
1 1 1    7    8   13 o   36.205   1.4783  179.808   14.656  197.114   21.925  165.830   19.705   37.810   2.1262   34.675   2.0849 3.134964 2.977886 
1 1 1    7    8   14 o   75.042   0.9156  771.655   18.814  799.502   27.464  747.033   25.825   76.350   1.3136   73.806   1.2778 2.544418 1.832590 
1 1 1    7    8   15 o   50.854   1.0389  354.532   14.468  367.997   18.965  335.787   22.377   51.790   1.3373   49.444   1.6527 2.345310 2.125976 
1 1 1    7    8   16 o   12.683   3.2861   23.170   11.505   12.401   18.865   29.548   14.517   11.309   4.3406   14.294   3.6852 -2.984885 5.694023 
1 1 1    7    8   17 o   21.291   2.1663   63.150   12.454   64.945   17.493   61.304   17.735   21.416   3.0708   20.761   3.2243 0.6548939 4.452617 
1 1 1    7    8   18 o   45.152   1.1321  279.781   13.997  298.067   19.907  261.899   19.685   46.556   1.5615   43.630   1.6477 2.926670 2.270018 
1 1 1    7    8   19 o   19.880   2.4936   55.637   13.276   56.213   17.107   54.764   21.053   19.799   3.2694   19.323   4.1054 0.4766254 5.248212 
1 1 1    7    8   20 o   43.167   1.2301  256.125   14.540  264.879   20.586  247.409   20.540   43.819   1.7157   42.338   1.7716 1.480209 2.466218 
1 1 1    7    8   21 o   67.026   1.1457  617.936   21.029  634.047   32.140  605.877   27.807   67.695   1.7338   66.249   1.5328 1.445419 2.314208 
1 1 1    7    8   22 o   60.987   1.1758  512.810   19.636  592.494   31.045  459.674   25.351   65.287   1.7365   57.567   1.6082 7.719975 2.366771 
1 1 1    7    8   23 o   13.378   3.1688   27.320   11.430   27.227   17.484   27.390   15.105   13.166   4.2549   13.207   3.9043 -0.4108429E-01 5.774734 
1 1 1    7    8   24 o   23.677   2.4304   82.373   15.534   91.604   24.270   75.967   20.219   23.851   3.8469   21.988   3.4733 1.862555 5.182909 
1 1 1    7    8   25 o   13.464   3.4478   29.859   12.767   21.989   19.107   36.207   17.160   11.568   4.3853   14.358   4.1380 -2.790500 6.029429 
1 1 1    7    9    0 o  157.329   2.1179  3392.96   91.207  3392.96   91.207  3392.96   91.207  157.329   2.1179  157.329   2.1179 0.000000 0.000000 
1 1 1    7    9    1 o  108.765   1.2508  1620.41   37.255  1590.23   48.203  1665.19   58.708  107.731   1.6340  110.223   1.9451 -2.492592 2.540320 
1 1 1    7    9    2 o   44.888   1.5954  276.087   19.611  267.992   28.868  283.023   26.723   44.140   2.3974   45.435   2.1479 -1.295078 3.218800 
1 1 1    7    9    3 o   67.087   0.9111  616.380   16.737  533.174   31.491  649.138   19.759   62.370   1.8439   68.844   1.0481 -6.473953 2.120957 
1 1 1    7    9    4 o   32.023   0.9364  140.452   8.2118  200.655   17.627  123.764   9.2805   38.263   1.6823   30.059   1.1275 8.204424 2.025177 
1 1 1    7    9    5 o   50.365   0.9615  347.435   13.261  386.682   22.928  327.707   16.255   53.116   1.5763   48.908   1.2137 4.207947 1.989449 
1 1 1    7    9    6 o   20.955   1.3696   60.432   7.8160   64.505   11.501   56.938   10.655   21.597   1.9663   20.282   1.9421 1.314821 2.763709 
1 1 1    7    9    7 o   40.887   0.9944  229.016   11.133  228.381   14.913  229.816   16.733   40.821   1.3341   40.944   1.4924 -0.1230354 2.001810 
1 1 1    7    9    8 o  102.492   1.0534  1439.28   29.564  1462.24   40.438  1412.92   43.330  103.276   1.4299  101.507   1.5589 1.768784 2.115330 
1 1 1    7    9    9 o  112.928   1.0822  1747.45   33.466  1775.94   49.950  1724.24   45.079  113.791   1.6030  112.138   1.4680 1.652992 2.173641 
1 1 1    7    9   10 o   58.287   0.9279  465.446   14.810  480.664   24.324  456.479   18.671   59.203   1.5004   57.712   1.1814 1.491066 1.909661 
1 1 1    7    9   11 o   54.707   1.0081  410.104   15.102  410.317   21.231  409.886   21.486   54.701   1.4174   54.671   1.4352 0.2982712E-01 2.017135 
1 1 1    7    9   12 o   50.814   0.8772  353.767   12.207  352.693   17.521  354.780   17.015   50.719   1.2616   50.871   1.2214 -0.1519928 1.755970 
1 1 1    7    9   13 o   28.203   1.3040  109.085   10.071  103.957   14.882  113.418   13.678   27.430   1.9950   28.686   1.7497 -1.255707 2.653563 
1 1 1    7    9   14 o   55.026   0.9657  415.005   14.552  424.474   19.789  403.857   21.472   55.627   1.2991   54.247   1.4455 1.379971 1.943483 
1 1 1    7    9   15 o   67.167   0.9937  618.492   18.278  634.875   24.537  598.068   27.397   68.018   1.3173   65.993   1.5161 2.025261 2.008441 
1 1 1    7    9   16 o   44.338   1.2588  269.798   15.284  272.356   22.937  267.756   20.497   44.483   1.8830   44.128   1.6962 0.3554115 2.534370 
1 1 1    7    9   17 f   17.739   2.5789   44.455   12.160   41.860   17.975   46.646   16.513   16.931   3.9493   17.980   3.4795 -1.048941 5.263445 
1 1 1    7    9   18 o   29.371   1.7737  119.260   14.199  139.654   23.525  107.572   17.808   31.592   2.7466   27.782   2.3633 3.809906 3.623433 
1 1 1    7    9   19 o   40.496   1.4886  225.702   16.507  240.608   19.488  187.837   31.059   41.779   1.7034   36.495   3.1384 5.283497 3.570854 
1 1 1    7    9   20 o   11.319   3.7358   17.663   13.447   11.438   17.303   27.156   21.367   10.699   4.1433   13.939   4.7113 -3.240067 6.274027 
1 1 1    7    9   21 o   39.237   1.3755  212.495   14.778  238.763   22.256  191.777   19.765   41.419   1.9622   37.075   1.9538 4.344540 2.769010 
1 1 1    7    9   22 o   9.7143   3.6461   11.441   13.133   24.875   17.855  -4.3948   19.386   12.858   4.3070   8.7877   3.9297 4.070648 5.830318 
1 1 1    7    9   23 o   25.588   1.6802   92.364   11.708  118.887   18.145   73.447   15.324   28.671   2.3314   22.379   2.5460 6.292217 3.452148 
1 1 1    7    9   24 o   8.1420   3.3848   5.3616   12.451  -1.9332   18.223   11.749   17.052   8.3937   3.7774   9.9136   4.0235 -1.519846 5.518778 
1 1 1    7    9   25 o   14.551   2.8452   33.217   10.930   41.207   16.238   26.596   14.781   15.478   3.8475   12.393   3.9024 3.085728 5.480175 
1 1 1    7   10    0 o  118.983   2.2350  1942.42   72.763  1942.42   72.763  1942.42   72.763  118.983   2.2350  118.983   2.2350 0.000000 0.000000 
1 1 1    7   10    1 o   37.074   0.7724  188.241   7.8418  191.747   12.626  186.038   10.006   37.411   1.2325   36.854   0.9915 0.5569611 1.581757 
1 1 1    7   10    2 o   93.728   1.3482  1203.77   34.602  834.473   47.895  1606.99   50.046   77.982   2.2429  108.269   1.6880 -30.28686 2.807109 
1 1 1    7   10    3 o  159.450   1.3050  3483.84   56.979  3512.71   87.141  3462.27   75.308  160.025   1.9886  158.907   1.7306 1.117233 2.636217 
1 1 1    7   10    4 o   66.299   0.9170  602.097   16.649  528.821   25.709  655.022   21.849   62.111   1.5115   69.143   1.1540 -7.032021 1.901682 
1 1 1    7   10    5 o   35.403   0.8907  171.691   8.6347  119.247   16.943  190.092   10.036   29.398   2.1188   37.251   0.9839 -7.852077 2.336072 
1 1 1    7   10    6 o   84.476   0.8873  977.554   20.524  920.780   33.376  1012.08   26.027   81.950   1.4873   85.943   1.1059 -3.993477 1.853419 
1 1 1    7   10    7 o   36.879   1.3096  186.432   13.226  155.344   15.591  266.209   24.975   33.608   1.6996   44.031   2.0714 -10.42305 2.679418 
1 1 1    7   10    8 o  117.788   1.2634  1901.70   40.749  1901.80   60.607  1901.61   55.048  117.712   1.8802  117.732   1.7075 -0.1944733E-01 2.539847 
1 1 1    7   10    9 o  175.373   1.4920  4217.85   71.649  4158.46  100.809  4278.47  101.854  173.991   2.1158  176.486   2.1075 -2.495026 2.986396 
1 1 1    7   10   10 o   45.714   0.8718  286.297   10.913  286.004   15.988  286.552   14.934   45.674   1.2783   45.722   1.1928 -0.4762650E-01 1.748340 
1 1 1    7   10   11 o   58.143   0.8623  463.171   13.730  455.212   19.584  470.864   19.254   57.622   1.2411   58.606   1.1997 -0.9847984 1.726205 
1 1 1    7   10   12 o   10.567   2.9921   15.820   9.0502   27.715   13.534   6.1977   12.172   13.879   3.5474   8.7889   3.4546 5.090568 4.951639 
1 1 1    7   10   13 o   27.383   1.3103  102.861   9.8250  112.964   14.238   93.678   13.575   28.612   1.8268   26.033   1.9177 2.579004 2.648513 
1 1 1    7   10   14 o   26.684   1.3899   97.997   10.121  104.854   14.721   91.849   13.938   27.536   1.9652   25.759   1.9915 1.777174 2.797863 
1 1 1    7   10   15 o   79.316   1.1174  862.914   24.270  859.140   29.943  870.142   41.439   79.104   1.3823   79.510   1.9033 -0.4058380 2.352313 
1 1 1    7   10   16 o   57.069   1.0534  446.760   16.461  439.295   22.304  455.691   24.396   56.544   1.4405   57.575   1.5474 -1.030113 2.114100 
1 1 1    7   10   17 o   64.803   0.9797  576.033   17.386  597.469   25.177  556.495   24.037   65.937   1.3944   63.638   1.3794 2.298573 1.961379 
1 1 1    7   10   18 o   10.287   3.7027   12.766   13.313   5.4271   22.120   16.935   16.671   10.870   4.5144   11.648   4.1486 -0.7787781 6.131171 
1 1 1    7   10   19 o   45.345   1.3448  282.941   16.698  323.411   20.622  205.893   28.454   48.438   1.5547   38.291   2.7316 10.14753 3.143098 
1 1 1    7   10   20 o   17.041   2.7069   41.790   12.209   78.129   18.441   13.425   16.292   23.336   2.9517   10.794   4.0590 12.54255 5.018778 
1 1 1    7   10   21 o   14.694   2.9866   31.981   11.608   16.306   17.407   44.531   15.576   11.320   4.2077   17.237   3.4208 -5.916299 5.422726 
1 1 1    7   10   22 o   12.435   3.4574   23.964   12.199   14.143   17.472   33.304   17.039   10.716   4.1598   14.399   4.1155 -3.682734 5.851596 
1 1 1    7   10   23 o   9.4550   3.4253   12.679   11.418   29.933   16.417  -3.4857   15.891   13.364   4.0973   7.7920   3.5150 5.572408 5.398464 
1 1 1    7   10   24 o   29.318   1.6633  122.519   13.298  111.636   19.514  131.956   18.171   27.170   2.6567   29.967   2.2303 -2.797003 3.468801 
1 1 1    7   11    0 o   90.063   1.9348  1113.37   47.668  1113.37   47.668  1113.37   47.668   90.063   1.9348   90.063   1.9348 0.000000 0.000000 
1 1 1    7   11    1 o  119.576   1.2227  1959.48   40.036  1963.90   85.757  1958.24   45.272  119.518   2.6203  119.523   1.3832 -0.5874634E-02 2.962949 
1 1 1    7   11    2 f   17.529   1.7300   42.555   8.1955   16.799   15.032   53.449   9.7763   11.527   3.9514   19.652   1.8380 -8.125213 4.357934 
1 1 1    7   11    3 o   58.514   1.0146  469.095   16.257  414.569   22.767  525.816   23.221   54.986   1.5121   61.934   1.3692 -6.947800 2.039860 
1 1 1    7   11    4 o   53.778   0.8158  396.149   12.014  389.228   22.312  398.975   14.258   53.277   1.5293   53.965   0.9648 -0.6878166 1.808257 
1 1 1    7   11    5 o   54.420   0.8016  405.661   11.946  415.434   22.316  401.736   14.143   55.043   1.4806   54.151   0.9538 0.8916969 1.761197 
1 1 1    7   11    6 o   53.659   1.2152  394.629   17.856  400.798   24.423  387.545   26.172   54.053   1.6500   53.143   1.7984 0.9106522 2.440665 
1 1 1    7   11    7 o   70.816   1.4775  687.715   28.652  775.979   37.019  555.848   45.248   75.195   1.7978   63.560   2.5997 11.63432 3.160829 
1 1 1    7   11    8 o  116.861   1.0515  1871.41   33.650  1796.43   51.529  1927.15   44.432  114.425   1.6445  118.553   1.3686 -4.128296 2.139548 
1 1 1    7   11    9 o   39.128   0.9508  209.780   10.188  197.510   15.010  220.260   13.872   37.948   1.4444   40.082   1.2639 -2.134056 1.919315 
1 1 1    7   11   10 o   85.081   0.9527  991.947   22.197  962.484   30.980  1023.03   31.818   83.773   1.3505   86.369   1.3453 -2.595177 1.906221 
1 1 1    7   11   11 o   98.153   1.0680  1320.61   28.705  1286.79   44.140  1345.38   37.785   96.808   1.6651   99.029   1.3934 -2.221283 2.171176 
1 1 1    7   11   12 o   41.953   0.9750  241.249   11.202  235.784   16.122  246.349   15.575   41.450   1.4204   42.374   1.3423 -0.9237938 1.954280 
1 1 1    7   11   13 o   24.841   1.4700   85.020   9.9546   87.267   14.663   83.099   13.558   25.079   2.1560   24.486   2.0406 0.5933666 2.968588 
1 1 1    7   11   14 o   21.502   1.7703   64.018   10.331   54.273   14.918   72.997   14.320   19.593   2.8651   22.886   2.3170 -3.292385 3.684745 
1 1 1    7   11   15 o   23.028   2.6560   74.400   16.441   86.707   21.139   55.556   26.158   24.761   3.1919   19.389   4.9190 5.372454 5.863914 
1 1 1    7   11   16 f   37.390   1.2288  191.953   12.581  185.896   17.701  198.135   17.884   36.740   1.7594   37.935   1.7216 -1.194862 2.461598 
1 1 1    7   11   17 o   43.606   1.1265  261.065   13.452  277.775   19.517  245.942   18.567   44.920   1.5867   42.265   1.6042 2.654751 2.256326 
1 1 1    7   11   18 o   29.659   1.5596  121.540   12.622  139.393   20.420  110.501   16.057   31.587   2.3783   28.171   2.0965 3.416161 3.170394 
1 1 1    7   11   19 o   35.627   1.3435  174.889   13.107  209.219   18.534  140.544   18.538   38.884   1.7406   31.714   2.1472 7.170210 2.764129 
1 1 1    7   11   20 o   38.540   1.3252  205.120   13.986  220.586   20.679  192.080   18.988   39.789   1.8979   37.092   1.8755 2.696968 2.668184 
1 1 1    7   11   21 o   6.0543   2.7970  -7.5189   10.870 -12.4236   16.436  -3.7056   14.492   7.2383   3.3763   7.6110   3.4010 -0.3727918 4.792362 
1 1 1    7   11   22 o   19.515   2.1566   55.136   11.332   56.730   16.970   53.853   15.224   19.104   3.3670   18.792   3.0641 0.3120060 4.552543 
1 1 1    7   11   23 o   13.428   3.1642   28.766   11.444   53.361   16.079   3.5174   16.292   18.298   3.3317   8.6101   3.7340 9.688090 5.004261 
1 1 1    7   11   24 o   11.285   3.7513   21.465   13.550   35.570   22.928   13.896   16.796   13.571   4.8619   10.005   4.0167 3.566381 6.306514 
1 1 1    7   12    0 o   23.010   1.5172   73.490   9.4642   73.490   9.4642   73.490   9.4642   23.010   1.5172   23.010   1.5172 0.000000 0.000000 
1 1 1    7   12    1 o   71.296   1.0831  696.533   21.145  672.456   43.908  703.803   24.127   69.955   2.2921   71.659   1.2296 -1.704117 2.601105 
1 1 1    7   12    2 o   79.975   1.1466  876.526   25.110  857.156   41.382  887.814   31.590   79.022   1.9124   80.468   1.4336 -1.445526 2.390090 
1 1 1    7   12    3 o  118.215   1.1179  1915.07   36.187  1869.25   53.265  1954.35   49.316  116.729   1.6664  119.377   1.5086 -2.648621 2.247819 
1 1 1    7   12    4 o   78.727   0.9305  849.141   20.060  815.832   32.463  869.716   25.515   77.126   1.5371   79.661   1.1696 -2.534897 1.931518 
1 1 1    7   12    5 o   39.907   0.9092  218.183   9.9361  244.757   19.665  209.072   11.514   42.235   1.7003   39.060   1.0765 3.174789 2.012427 
1 1 1    7   12    6 o  120.842   1.1850  2001.59   39.214  1869.08   58.372  2110.58   52.938  116.685   1.8269  124.038   1.5586 -7.353714 2.401350 
1 1 1    7   12    7 o   56.681   1.0334  440.279   16.040  433.832   25.633  444.427   20.563   56.225   1.6649   56.932   1.3190 -0.7069740 2.124017 
1 1 1    7   12    8 o   13.801   1.6439   26.508   6.0903   24.628   11.227   27.292   7.2496   13.094   3.1660   13.961   1.9495 -0.8667660 3.718036 
1 1 1    7   12    9 o   60.416   0.8820  500.134   14.591  485.998   20.884  513.617   20.395   59.531   1.2811   61.203   1.2169 -1.672935 1.766947 
1 1 1    7   12   10 o   54.102   1.0155  401.204   15.045  403.890   24.403  399.557   19.109   54.234   1.6432   53.972   1.2929 0.2618675 2.090868 
1 1 1    7   12   11 o   68.194   0.8987  637.353   16.782  630.779   24.337  643.312   23.173   67.804   1.3108   68.483   1.2357 -0.6782150 1.801409 
1 1 1    7   12   12 o  119.122   1.1671  1946.41   38.071  1987.88   56.543  1912.03   51.491  120.257   1.7170  117.973   1.5939 2.284462 2.342812 
1 1 1    7   12   13 o   51.793   0.9573  367.795   13.577  350.122   19.353  384.923   19.053   50.494   1.3997   52.954   1.3139 -2.459301 1.919762 
1 1 1    7   12   14 o   92.339   1.0852  1169.77   27.440  1175.01   37.741  1163.90   39.967   92.464   1.4906   92.003   1.5864 0.4611511 2.176803 
1 1 1    7   12   15 o   15.539   3.4348   35.067   14.227   35.566   21.671   34.688   18.860   15.672   4.6867   15.417   4.3033 0.2550011 6.362625 
1 1 1    7   12   16 o   42.504   1.1840  248.105   13.781  254.922   18.777  240.147   20.289   43.032   1.5935   41.739   1.7751 1.292953 2.385424 
1 1 1    7   12   17 o   12.396   3.1896   22.399   10.890   21.685   16.175   22.990   14.727   12.498   4.0960   12.669   3.8800 -0.1706543 5.641999 
1 1 1    7   12   18 o   47.790   1.1193  314.024   14.648  319.539   20.694  308.487   20.736   48.110   1.5708   47.263   1.6022 0.8471642 2.243772 
1 1 1    7   12   19 o   30.419   1.6082  128.550   13.348  159.228   21.877  110.356   16.847   33.581   2.3947   27.993   2.2160 5.588625 3.262691 
1 1 1    7   12   20 o   6.2171   2.8278  -5.3872   10.543  -9.5965   16.294  -2.3556   13.828   7.4881   3.4468   7.6213   3.3685 -0.1331801 4.819503 
1 1 1    7   12   21 o   8.2033   3.2170   7.1654   10.532   28.513   16.260  -8.2654   13.824   13.258   4.0798   6.8257   3.1536 6.432098 5.156526 
1 1 1    7   12   22 o   11.394   3.4363   20.878   11.613   16.851   15.762   25.662   17.177   10.642   3.9943   12.362   4.2240 -1.719848 5.813462 
1 1 1    7   12   23 o   8.2672   3.2322   8.4394   10.607   24.775   15.643  -5.4656   14.432   11.987   4.0312   7.0853   3.2549 4.902102 5.181229 
1 1 1    7   13    0 o   13.972   1.8279   28.103   6.6624   28.103   6.6624   28.103   6.6624   13.972   1.8279   13.972   1.8279 0.000000 0.000000 
1 1 1    7   13    1 o   20.320   2.2768   57.467   12.451   75.944   30.285   53.708   13.659   22.903   4.9715   19.583   2.6123 3.319904 5.616054 
1 1 1    7   13    2 o   96.330   1.0773  1271.70   28.419  1235.87   47.058  1292.26   35.655   94.883   1.8112   97.081   1.3412 -2.198181 2.253685 
1 1 1    7   13    3 o   51.412   0.9112  362.148   12.828  343.031   23.182  370.585   15.401   49.995   1.6933   52.000   1.0815 -2.005241 2.009241 
1 1 1    7   13    4 o   64.067   0.8959  562.378   15.717  549.220   27.143  569.016   19.277   63.269   1.5667   64.434   1.0926 -1.164337 1.909991 
1 1 1    7   13    5 o   46.255   0.9134  293.148   11.569  301.368   22.185  290.077   13.559   46.854   1.7291   46.005   1.0763 0.8492317 2.036684 
1 1 1    7   13    6 o   60.292   0.9186  498.103   15.166  514.057   26.807  490.592   18.393   61.201   1.5995   59.824   1.1228 1.377140 1.954242 
1 1 1    7   13    7 o   20.075   1.5093   55.612   8.2363   81.969   22.419   51.499   8.8556   24.079   3.5027   19.293   1.6933 4.786257 3.890561 
1 1 1    7   13    8 o   97.421   1.0803  1301.09   28.819  1192.02   55.729  1340.91   33.671   93.068   2.1867   98.880   1.2435 -5.812050 2.515545 
1 1 1    7   13    9 o   48.896   0.8046  327.596   10.773  311.519   17.965  336.625   13.462   47.646   1.3769   49.555   0.9921 -1.909260 1.697081 
1 1 1    7   13   10 o   41.980   1.0740  241.657   12.346  206.147   20.552  261.708   15.443   38.659   1.9476   43.673   1.2914 -5.013584 2.336856 
1 1 1    7   13   11 o   41.542   1.0481  236.650   11.922  265.061   18.891  217.845   15.370   43.922   1.5707   39.832   1.4091 4.090096 2.110124 
1 1 1    7   13   12 o   70.801   0.9504  687.313   18.426  704.888   27.169  672.345   25.073   71.644   1.3848   69.982   1.3084 1.662048 1.905149 
1 1 1    7   13   13 o   16.340   2.3972   37.683   10.407   27.628   15.221   46.509   14.262   13.824   3.8685   18.062   2.9879 -4.237999 4.888004 
1 1 1    7   13   14 o   75.658   1.0165  785.296   21.059  794.161   29.439  776.005   30.138   76.014   1.4143   75.129   1.4649 0.8843765 2.036242 
1 1 1    7   13   15 o   21.209   2.3410   63.058   13.370   66.544   22.833   61.238   16.493   21.344   4.0548   20.747   2.9894 0.5974236 5.037631 
1 1 1    7   13   16 o   27.349   1.5411  103.374   11.494  113.583   16.855   94.498   15.716   28.546   2.1726   26.010   2.2280 2.535591 3.111924 
1 1 1    7   13   17 o   23.473   1.6927   76.549   10.807   97.619   16.376   60.290   14.385   26.376   2.2900   20.597   2.6089 5.778490 3.471411 
1 1 1    7   13   18 o   23.733   1.6904   78.498   10.914  105.449   16.632   58.116   14.464   27.356   2.2398   20.112   2.6938 7.243458 3.503374 
1 1 1    7   13   19 o   8.4888   3.3740   6.5977   11.731   11.525   16.199   1.1642   17.011   10.235   3.9962   8.8779   3.8328 1.356809 5.537186 
1 1 1    7   13   20 o   15.760   2.5236   36.670   10.524   26.022   16.127   44.567   13.888   12.772   4.0821   17.133   3.0731 -4.360769 5.109532 
1 1 1    7   13   21 o   10.738   3.4146   18.196   11.295   15.416   16.076   20.907   15.872   10.444   4.0073   11.449   4.0512 -1.004910 5.698270 
1 1 1    7   13   22 o   8.1411   3.2072   7.8175   10.513   15.092   15.945   2.2240   13.982   10.199   3.9696   7.9162   3.4462 2.282258 5.256804 
1 1 1    7   14    0 o   84.814   1.6141  987.187   37.458  987.187   37.458  987.187   37.458   84.814   1.6141   84.814   1.6141 0.000000 0.000000 
1 1 1    7   14    1 f   60.282   0.7867  497.842   12.986  494.921   20.434  499.821   16.819   60.079   1.2421   60.390   1.0171 -0.3111191 1.605355 
1 1 1    7   14    2 o   81.000   1.1193  899.392   24.826  831.526   49.216  922.555   28.753   77.732   2.3121   82.021   1.2802 -4.288956 2.642878 
1 1 1    7   14    3 o  112.520   1.0802  1735.46   33.284  1767.06   58.950  1720.67   40.326  113.404   1.8983  112.009   1.3148 1.395737 2.309141 
1 1 1    7   14    4 o   70.189   0.9785  675.189   18.806  597.357   30.261  724.163   24.005   65.958   1.6754   72.672   1.2063 -6.714142 2.064500 
1 1 1    7   14    5 o   79.028   0.9548  855.940   20.663  808.519   33.458  885.179   26.273   76.741   1.5922   80.344   1.1941 -3.603127 1.990216 
1 1 1    7   14    6 o   32.815   1.0210  147.611   9.1746  130.144   19.427  152.625   10.409   30.649   2.3322   33.363   1.1393 -2.714079 2.595622 
1 1 1    7   14    7 o   57.485   1.0296  453.039   16.208  439.778   28.050  459.687   19.859   56.562   1.8110   57.888   1.2528 -1.326145 2.202114 
1 1 1    7   14    8 o   55.169   0.8719  417.133   13.172  380.373   26.272  429.476   15.224   52.593   1.8242   55.971   0.9933 -3.377087 2.077098 
1 1 1    7   14    9 o   59.204   0.8490  480.399   13.764  462.301   23.906  489.373   16.835   58.015   1.5048   59.740   1.0291 -1.724964 1.823018 
1 1 1    7   14   10 o   18.793   1.4550   48.803   7.4296   40.144   15.775   51.271   8.4222   16.657   3.5661   19.246   1.6129 -2.589338 3.913929 
1 1 1    7   14   11 o   36.028   1.1423  178.109   11.269  188.588   17.122  170.100   14.968   37.024   1.6888   35.175   1.5540 1.848713 2.294941 
1 1 1    7   14   12 o   61.708   0.9916  522.303   16.756  575.961   27.024  488.792   21.356   64.721   1.5248   59.656   1.3073 5.065121 2.008518 
1 1 1    7   14   13 o   8.3047   3.2337   6.0926   10.584   11.946   15.727   1.2458   14.310   10.581   3.9863   8.4792   3.5834 2.101728 5.360113 
1 1 1    7   14   14 o   34.979   1.2386  168.118   11.864  175.801   17.681  161.825   16.001   35.653   1.8171   34.265   1.7053 1.387817 2.491972 
1 1 1    7   14   15 o   26.529   1.8681   97.764   13.485  116.438   23.419   88.501   16.494   28.652   3.0309   25.108   2.4293 3.543739 3.884283 
1 1 1    7   14   16 o   25.665   1.6229   91.379   11.347  105.949   16.328   77.771   15.779   27.504   2.1860   23.454   2.4953 4.050835 3.317339 
1 1 1    7   14   17 o   39.746   1.3456  218.124   14.645  219.214   20.920  217.077   20.509   39.671   1.9258   39.488   1.8967 0.1838150 2.702967 
1 1 1    7   14   18 o   36.800   1.3137  187.485   13.239  194.849   19.553  181.252   17.989   37.236   1.9242   35.953   1.8333 1.283245 2.657678 
1 1 1    7   14   19 o   7.1117   3.0660   0.6235   10.855  -2.1585   15.386   3.3802   15.316   7.9404   3.5292   8.6386   3.6812 -0.6981788 5.099631 
1 1 1    7   14   20 o   11.697   3.2312   21.719   10.692   32.491   17.309   15.072   13.597   13.802   4.2024   10.159   3.7290 3.643472 5.618350 
1 1 1    7   14   21 o   10.499   3.4382   17.704   11.398   23.104   15.545   11.425   16.762   11.705   4.0179   9.7180   3.9718 1.987288 5.649714 
1 1 1    7   15    0 o   33.243   1.1586  151.977   10.517  151.977   10.517  151.977   10.517   33.243   1.1586   33.243   1.1586 0.000000 0.000000 
1 1 1    7   15    1 o   93.116   0.9293  1188.35   23.694  1182.02   36.847  1192.82   30.940   92.800   1.4500   93.258   1.2116 -0.4575653 1.889526 
1 1 1    7   15    2 o   42.828   0.9754  251.421   11.439  314.686   38.831  245.410   11.970   47.596   2.9946   42.310   1.0332 5.286671 3.167802 
1 1 1    7   15    3 o   59.149   0.9087  479.506   14.718  442.501   27.087  495.007   17.531   56.744   1.7432   60.086   1.0655 -3.341835 2.043044 
1 1 1    7   15    4 o   47.724   1.0933  312.310   14.288  302.227   23.805  317.988   17.864   46.881   1.8543   48.136   1.3552 -1.255314 2.296732 
1 1 1    7   15    5 o   10.811   2.5268   16.782   7.3462   20.186   19.112   16.191   7.9576   12.682   4.4493   10.622   2.7230 2.059684 5.216389 
1 1 1    7   15    6 o   39.469   0.9046  213.532   9.7775  179.939   21.455  222.338   10.984   36.069   2.1824   40.270   0.9961 -4.200436 2.399019 
1 1 1    7   15    7 o   17.445   1.7903   42.299   8.4313   69.699   20.870   36.954   9.2170   22.093   3.5715   16.240   2.1234 5.852669 4.155047 
1 1 1    7   15    8 o   41.714   0.9534  238.583   10.890  210.478   28.317  243.461   11.798   38.903   2.6743   42.134   1.0225 -3.231125 2.863159 
1 1 1    7   15    9 f   21.343   1.3849   62.833   8.0503   57.754   14.149   65.264   9.7893   20.260   2.6111   21.720   1.6584 -1.459475 3.093233 
1 1 1    7   15   10 o   58.418   0.8853  467.917   14.163  452.400   26.507  474.117   16.755   57.335   1.6883   58.788   1.0408 -1.453331 1.983350 
1 1 1    7   15   11 o   52.924   0.8298  384.007   12.026  373.877   20.360  389.436   14.904   52.153   1.4257   53.278   1.0216 -1.125080 1.753888 
1 1 1    7   15   12 o   31.224   1.3170  133.989   11.260  137.513   16.429  130.867   15.464   31.510   1.9131   30.749   1.8451 0.7612476 2.657851 
1 1 1    7   15   13 o   48.778   1.1550  326.856   15.427  311.452   21.306  343.834   22.368   47.535   1.6368   49.946   1.6355 -2.410339 2.313824 
1 1 1    7   15   14 o   10.399   3.8342   12.673   14.397   10.236   23.277   14.183   18.323   11.605   4.7041   11.334   4.2948 0.2717915 6.369771 
1 1 1    7   15   15 o   6.8864   2.9543  -0.0854   9.9848   12.337   14.920 -10.1630   13.438   10.362   3.8867   6.7058   3.1021 3.655685 4.972858 
1 1 1    7   15   16 o   48.057   1.0373  317.903   13.651  310.653   19.201  325.311   19.410   47.374   1.4801   48.485   1.4619 -1.111229 2.080392 
1 1 1    7   15   17 o   16.845   2.5861   41.404   11.548   59.648   22.319   34.735   13.494   19.385   4.3155   15.107   3.3498 4.277876 5.463057 
1 1 1    7   15   18 o   44.885   1.2983  280.100   15.958  261.673   18.856  326.598   29.954   43.218   1.5933   47.707   2.2929 -4.488785 2.792125 
1 1 1    7   15   19 o   9.3344   3.2576   12.794   10.239  -0.7968   16.328   21.601   13.144   8.1628   3.6315   11.566   3.6841 -3.403658 5.173059 
1 1 1    7   15   20 f   17.677   2.3033   46.487   10.885   62.231   16.860   35.234   14.253   19.804   3.2195   14.548   3.5979 5.256474 4.828051 
1 1 1    7   16    0 o   94.529   1.2506  1225.46   32.358  1225.46   32.358  1225.46   32.358   94.529   1.2506   94.529   1.2506 0.000000 0.000000 
1 1 1    7   16    1 o   84.128   1.2250  971.119   28.221  964.097   40.109  978.003   39.715   83.730   1.7493   84.338   1.7197 -0.6078491 2.453034 
1 1 1    7   16    2 o   50.838   0.9761  354.349   13.588  388.726   41.428  350.204   14.384   52.893   2.8710   50.535   1.0394 2.358387 3.053403 
1 1 1    7   16    3 o   79.909   0.9535  875.454   20.865  845.102   39.840  886.925   24.492   78.364   1.8566   80.411   1.1123 -2.046722 2.164264 
1 1 1    7   16    4 o   63.509   1.0048  553.096   17.475  552.454   32.463  553.357   20.736   63.352   1.8713   63.504   1.1924 -0.1521873 2.218913 
1 1 1    7   16    5 o   49.650   0.8748  337.928   11.894  323.949   25.941  341.649   13.384   48.494   1.9535   49.915   0.9792 -1.420399 2.185142 
1 1 1    7   16    6 o   91.220   1.0368  1141.35   25.897  1068.24   49.326  1169.17   30.429   88.020   2.0465   92.296   1.2040 -4.275238 2.374345 
1 1 1    7   16    7 o   27.225   1.3118  101.790   9.7797  125.346   29.618   98.907   10.361   29.682   3.7261   26.793   1.4172 2.888750 3.986515 
1 1 1    7   16    8 o   66.512   0.9444  606.717   17.201  551.617   33.946  625.752   19.953   63.247   1.9600   67.531   1.0790 -4.283394 2.237385 
1 1 1    7   16    9 o   71.622   1.2008  704.348   23.551  667.840   38.565  726.058   29.740   69.560   2.0246   72.661   1.4947 -3.101051 2.516583 
1 1 1    7   16   10 o   7.6663   2.7645   6.8823   7.4249  -3.3190   15.202   10.078   8.5089   8.0996   3.5577   8.7921   2.9731 -0.6925039 4.636452 
1 1 1    7   16   11 o   75.274   0.9947  777.657   20.503  775.244   32.007  779.335   26.700   75.026   1.5579   75.292   1.2950 -0.2658920 2.025849 
1 1 1    7   16   12 o   55.737   0.8841  426.304   13.494  409.061   22.928  435.441   16.690   54.477   1.5370   56.300   1.0826 -1.823833 1.879968 
1 1 1    7   16   13 o   16.013   2.3325   36.470   9.9272   15.275   14.491   55.213   13.627   10.902   3.8694   19.697   2.5892 -8.795635 4.655788 
1 1 1    7   16   14 o   42.060   1.4599  244.459   16.815  252.386   28.546  240.246   20.808   42.309   2.4747   41.589   1.8272 0.7201004 3.076145 
1 1 1    7   16   15 o   29.476   1.3467  120.182   10.870  122.341   15.508  118.098   15.241   29.524   1.9287   29.005   1.9300 0.5189629 2.728513 
1 1 1    7   16   16 o   7.7730   3.0375   6.0503   9.3648   23.433   13.956  -8.1877   12.631   12.325   3.7776   6.5429   3.0200 5.781710 4.836332 
1 1 1    7   16   17 o   11.720   3.1304   21.317   10.237   39.872   16.601   9.9327   13.003   15.677   3.8866   9.1960   3.5833 6.480528 5.286306 
1 1 1    7   16   18 o   28.484   1.7447  115.531   13.543  138.519   20.020   96.137   18.389   30.686   2.4017   25.311   2.6946 5.375210 3.609510 
1 1 1    7   16   19 o   25.273   1.6111   90.946   11.092   89.808   15.899   92.025   15.483   24.559   2.3946   24.945   2.2922 -0.3859940 3.314844 
1 1 1    7   17    0 o   9.4849   3.1233   15.828   7.2017   15.828   7.2017   15.828   7.2017   9.4849   3.1233   9.4849   3.1233 0.000000 0.000000 
1 1 1    7   17    1 o   28.809   0.9731  113.827   7.6770  116.589   12.974  112.339   9.5232   29.067   1.6366   28.607   1.2157 0.4602394 2.038697 
1 1 1    7   17    2 o   33.352   1.0396  152.594   9.4949  120.354   22.349  159.695   10.489   29.314   2.8189   34.114   1.1228 -4.800043 3.034259 
1 1 1    7   17    3 o   63.711   0.8729  556.518   15.228  564.047   31.568  554.234   17.385   63.998   1.8013   63.566   0.9987 0.4314728 2.059684 
1 1 1    7   17    4 o   16.412   1.8053   37.542   7.9793   41.249   21.647   36.959   8.5837   16.759   4.5844   16.256   1.9684 0.5037804 4.989143 
1 1 1    7   17    5 o   19.136   2.0221   51.076   10.435   54.685   22.429   50.079   11.789   19.281   4.3514   18.889   2.3284 0.3915482 4.935193 
1 1 1    7   17    6 o   23.518   1.2400   76.170   7.9572   67.622   25.894   77.062   8.3618   21.414   4.5559   23.650   1.2961 -2.235565 4.736657 
1 1 1    7   17    7 o   52.986   0.9405  385.119   13.646  364.861   29.548  390.611   15.385   51.382   2.1000   53.350   1.0531 -1.967598 2.349281 
1 1 1    7   17    8 o   70.157   0.9296  675.236   17.858  625.024   37.509  689.955   20.308   67.247   2.0369   70.899   1.0460 -3.651878 2.289775 
1 1 1    7   17    9 o   33.187   0.9969  151.177   9.0600  111.887   22.485  158.792   9.8992   28.130   2.9635   34.007   1.0630 -5.876272 3.148435 
1 1 1    7   17   10 o   55.015   1.0036  415.605   15.119   0.0000   0.0000  415.605   15.119  ?   ?    55.015   1.0036 0.000000 1.003564 
1 1 1    7   17   11 o   53.451   0.8478  392.139   12.409  352.863   20.750  414.007   15.483   50.573   1.4983   54.890   1.0301 -4.316757 1.818244 
1 1 1    7   17   12 o   32.908   1.5070  149.675   13.580  108.054   20.561  181.883   18.087   27.534   2.7643   36.151   1.8331 -8.617111 3.316874 
1 1 1    7   17   13 o   47.217   0.9675  306.720   12.509  258.819   28.223  318.429   13.954   42.774   2.4195   48.086   1.0597 -5.312214 2.641397 
1 1 1    7   17   14 o   27.781   1.6803  108.012   12.723   73.924   18.168  140.817   17.823   22.397   3.0408   31.563   2.0736 -9.165844 3.680527 
1 1 1    7   17   15 o   28.181   1.5785  111.368   12.133  133.797   16.624   85.808   17.747   30.690   1.9889   24.155   2.7310 6.534620 3.378427 
1 1 1    7   17   16 o   31.410   1.3093  137.563   11.261  142.642   16.938  133.539   15.076   31.575   1.9688   30.653   1.8040 0.9218445 2.670324 
1 1 1    7   17   17 o   11.681   2.9505   21.467   9.4401   26.875   14.534   17.521   12.415   12.659   3.8501   10.544   3.5911 2.114379 5.264949 
1 1 1    7   17   18 o   22.440   1.7213   72.238   10.496   77.228   15.129   67.606   14.575   22.674   2.4770   21.130   2.5719 1.543400 3.570774 
1 1 1    7   18    0 o   28.599   1.9742  114.034   15.292  114.034   15.292  114.034   15.292   28.599   1.9742   28.599   1.9742 0.000000 0.000000 
1 1 1    7   18    1 o   63.302   0.9871  549.794   17.111  518.943   28.163  567.845   21.543   61.381   1.6755   64.297   1.2235 -2.916302 2.074702 
1 1 1    7   18    2 o   77.597   1.2052  827.009   25.610  863.218   43.746  808.129   31.589   79.054   2.0208   76.639   1.5052 2.414917 2.519762 
1 1 1    7   18    3 o   33.858   1.1298  157.404   10.476   95.944   30.481  165.636   11.155   25.570   4.5185   34.729   1.1730 -9.158979 4.668258 
1 1 1    7   18    4 o   43.380   1.1478  258.441   13.635  218.820   24.978  275.259   16.273   39.670   2.3093   44.747   1.3281 -5.076920 2.664006 
1 1 1    7   18    5 o   26.484   1.5914   96.962   11.487   52.246   24.734  109.260   12.971   18.671   4.8085   28.101   1.6936 -9.430328 5.098042 
1 1 1    7   18    6 o   55.644   1.1289  425.340   17.201  414.272   29.736  430.905   21.087   54.727   1.9842   55.962   1.3761 -1.235355 2.414687 
1 1 1    7   18    7 o   15.243   3.2955   33.980   13.354   28.993   21.106   37.309   17.246   14.274   4.6789   15.852   3.9790 -1.577474 6.142011 
1 1 1    7   18    8 o   55.559   1.2006  424.578   18.266  365.052   28.985  463.789   23.525   51.289   2.0638   57.999   1.4812 -6.710068 2.540308 
1 1 1    7   18    9 o   32.194   1.5310  143.145   13.497  104.032   23.895  161.469   16.355   26.841   3.3219   34.102   1.7574 -7.260647 3.758114 
1 1 1    7   18   10 o   41.829   1.6197  242.284   18.552   0.0000   0.0000  242.284   18.552  ?   ?    41.829   1.6197 0.000000 1.619675 
1 1 1    7   18   11 o   10.052   2.1992   14.709   5.8851   4.8751   12.103   17.755   6.7349   8.3150   3.3840   11.042   2.3020 -2.726786 4.092803 
1 1 1    7   18   12 o   44.019   0.8523  266.543   10.274  249.365   18.897  273.752   12.241   42.315   1.6308   44.570   1.0030 -2.255409 1.914567 
1 1 1    7   18   13 o   16.581   2.1913   39.694   9.7059   18.016   15.470   53.766   12.464   11.182   3.9949   19.236   2.4197 -8.054612 4.670577 
1 1 1    7   18   14 o   20.767   1.3292   60.308   7.5190   36.113   12.770   73.147   9.3025   15.284   3.1557   22.817   1.4972 -7.532412 3.492814 
1 1 1    7   18   15 o   19.057   1.8677   52.210   9.6208   68.901   15.379   41.476   12.332   21.414   2.6814   16.464   2.8378 4.949656 3.904281 
1 1 1    7   18   16 o   10.105   3.2096   16.154   9.9817   24.248   17.491   12.245   12.155   11.949   4.2501   9.3150   3.5055 2.634411 5.509202 
1 1 1    7   18   17 f   13.133   2.6529   26.773   9.2122   15.170   14.086   35.444   12.177   9.9951   3.7710   14.874   3.0908 -4.878480 4.875762 
1 1 1    7   19    0 o   55.356   1.3597  421.438   20.583  421.438   20.583  421.438   20.583   55.356   1.3597   55.356   1.3597 0.000000 0.000000 
1 1 1    7   19    1 o   32.866   0.8942  148.245   8.0473  151.796   14.138  146.542   9.7877   33.179   1.5560   32.658   1.0945 0.5208855 1.902398 
1 1 1    7   19    2 o   46.521   0.7659  296.841   9.7566  298.446   17.718  296.142   11.688   46.553   1.3898   46.448   0.9190 0.1046257 1.666178 
1 1 1    7   19    3 o   14.268   2.3766   29.083   8.9593   52.455   23.414   25.074   9.6973   18.617   4.6157   13.139   2.7818 5.478178 5.389182 
1 1 1    7   19    4 o   47.227   1.3883  307.326   17.954   72.241   23.973  607.558   27.092   22.055   4.1209   66.371   1.4907 -44.31532 4.382246 
1 1 1    7   19    5 o   48.985   1.1465  330.089   15.380  323.691   29.480  332.481   18.027   48.192   2.2339   49.120   1.3402 -0.9279175 2.605113 
1 1 1    7   19    6 o   29.496   1.4865  120.455   11.968   59.988   21.234  148.607   14.489   20.001   4.0165   32.777   1.6142 -12.77624 4.328714 
1 1 1    7   19    7 o   14.635   3.5910   32.133   14.283   16.040   27.675   37.976   16.676   12.809   5.1512   15.844   3.8755 -3.035084 6.446253 
1 1 1    7   19    8 o   16.806   2.5264   40.693   11.267   16.376   21.733   49.631   13.176   11.959   4.6401   18.542   2.6721 -6.583220 5.354487 
1 1 1    7   19    9 o   13.401   3.1936   27.018   11.553   50.620   20.569   16.141   13.963   17.984   4.2451   10.827   3.8028 7.156176 5.699308 
1 1 1    7   19   10 o   27.356   1.6657  104.794   12.418   84.523   23.850  112.334   14.545   23.458   3.8462   28.236   1.8921 -4.778629 4.286384 
1 1 1    7   19   11 o   22.652   1.9439   72.954   11.941   94.598   23.886   65.742   13.788   24.781   3.6273   21.286   2.4077 3.494856 4.353655 
1 1 1    7   19   12 o   23.957   1.9355   81.955   12.589   57.699   23.386   91.851   14.937   18.337   4.6504   25.232   2.1834 -6.894485 5.137491 
1 1 1    7   19   13 o   10.606   1.9540   16.529   5.4657   1.4449   11.457   20.973   6.2190   7.3065   3.1500   11.974   1.9648 -4.667886 3.712503 
1 1 1    7   19   14 o   5.1854   2.2679  -0.5713   6.1181   4.1096   12.422  -2.0705   7.0299   7.8971   3.3380   5.2778   2.3628 2.619300 4.089682 
1 1 1    7   19   15 f   15.193   1.9639   33.810   7.9793   24.150   13.796   38.666   9.7814   11.929   3.7717   16.088   2.2845 -4.158704 4.409645 
1 1 1    7   20    0 o   6.0646   3.6952   4.9181   11.549   4.9181   11.549   4.9181   11.549   6.0646   3.6952   6.0646   3.6952 0.000000 0.000000 
1 1 1    7   20    1 o   38.408   1.0962  203.107   11.529  260.580   17.389  158.025   15.401   43.410   1.4629   33.756   1.6661 9.654327 2.217199 
1 1 1    7   20    2 o   27.132   1.2310  101.523   9.1458   70.347   20.089  109.674   10.272   21.823   3.4786   28.184   1.3310 -6.360796 3.724497 
1 1 1    7   20    3 f   11.418   2.8741   19.284   8.9799  -3.1188   21.401   24.071   9.8929   9.4708   4.1880   12.758   2.8978 -3.286799 5.092833 
1 1 1    7   20    4 o   27.398   1.4349  104.183   10.728   26.887   19.032  140.180   12.988   13.423   4.4451   31.809   1.4911 -18.38603 4.688545 
1 1 1    7   20    5 o   6.7568   2.8806   0.6487   9.3864  -8.3312   16.447   4.9865   11.431   7.6907   3.5112   8.1392   3.2974 -0.4484601 4.816762 
1 1 1    7   20    6 o   6.2528   2.8714  -6.9893   11.217 -11.6192   16.636  -3.1296   15.189   7.3959   3.4320   7.8994   3.5090 -0.5035558 4.908284 
1 1 1    7   20    7 o   15.811   3.0127   37.461   12.568  -4.1382   19.625   66.383   16.363   8.8046   3.9444   21.230   2.8898 -12.42525 4.889699 
1 1 1    7   20    8 o   15.559   2.7887   36.131   11.445   23.163   19.820   42.619   14.019   12.434   4.5116   16.743   3.1738 -4.309130 5.516150 
1 1 1    7   20    9 o   17.107   2.4800   43.089   11.279   51.787   19.488   38.708   13.831   17.829   4.0798   15.790   3.3048 2.038709 5.250379 
1 1 1    7   20   10 o   45.034   1.3793  283.330   17.010  212.044   25.314  342.016   22.968   38.095   2.4394   49.220   1.7040 -11.12516 2.975633 
1 1 1    7   20   11 o   14.161   3.1403   31.623   11.858   16.468   22.364   37.550   13.986   11.186   4.5817   15.286   3.4262 -4.099488 5.721022 
1 1 1    7   20   12 o   30.303   1.8243  131.685   15.068   76.948   23.021  172.713   19.931   21.280   4.0993   34.448   2.1232 -13.16807 4.616528 
1 1 1    7   20   13 o   37.499   1.5146  198.871   15.553  173.656   24.993  214.804   19.868   33.782   2.7249   38.643   1.8776 -4.860218 3.309130 
1 1 1    7   21    0 o   7.0294   3.7667   10.340   9.9489   10.340   9.9489   10.340   9.9489   7.0294   3.7667   7.0294   3.7667 0.000000 0.000000 
1 1 1    7   21    1 o   15.232   2.3836   33.858   9.6158   33.763   12.861   33.980   14.480   14.852   3.2523   14.747   3.6139 0.1046991 4.861876 
1 1 1    7   21    2 o   17.976   1.6536   45.575   8.0486  -2.3978   16.914   59.617   9.1510   8.3200   3.6990   20.584   1.6370 -12.26374 4.045054 
1 1 1    7   21    3 o   12.812   2.4724   24.315   8.3599   5.6111   15.288   32.294   9.9850   8.9820   3.7437   14.777   2.5603 -5.795424 4.535409 
1 1 1    7   21    4 o   18.555   3.0708   52.074   15.057   36.942   18.306   83.724   26.475   14.988   4.2594   22.596   4.4370 -7.608183 6.150588 
1 1 1    7   21    5 f   19.462   1.8602   54.005   9.7932   37.870   15.969   63.731   12.398   15.327   3.8187   21.004   2.1878 -5.676692 4.401039 
1 1 1    7   21    6 f   6.0102   2.7194  -3.8095   9.5940   3.3963   15.872  -7.9581   12.043   8.6734   3.7230   6.3018   2.9228 2.371609 4.733208 
1 1 1    7   21    7 o   9.4191   3.5712   11.785   12.672   17.951   18.602   6.4457   17.311   11.150   4.3021   9.2874   3.9340 1.862544 5.829624 
1 1 1    7   21    8 o   13.265   3.0132   27.569   10.696   45.226   17.638   17.299   13.452   16.419   3.9672   10.584   3.7312 5.835256 5.446088 
1 1 1    7   21    9 o   6.6527   2.9653  -1.7314   10.941  -5.2024   18.589   0.1085   13.534   8.1080   3.7134   7.5808   3.3425 0.5271602 4.996146 
1 1 1    7   21   10 f   15.621   2.7978   37.797   11.528   41.101   20.227   36.207   14.030   14.958   4.5403   14.804   3.5136 0.1539984 5.741110 
1 1 1    7   21   11 o   15.895   3.0329   40.104   12.719   34.103   20.859   43.656   16.048   13.481   4.6528   16.058   3.7222 -2.576277 5.958449 
1 1 1    7   22    0 o   5.6696   3.8467  -6.2145   17.916  -6.2145   17.916  -6.2145   17.916   5.6696   3.8467   5.6696   3.8467 0.000000 0.000000 
1 1 1    7   22    1 o   8.9063   3.0290   11.671   8.8329   12.944   10.179   7.7894   17.773   9.3584   3.2491   9.4919   4.0014 -0.1334486 5.154408 
1 1 1    7   22    2 o   15.767   1.8135   35.787   7.6871   28.149   11.402   42.153   10.408   13.324   3.1708   16.886   2.3116 -3.562005 3.923992 
1 1 1    7   22    3 o   18.780   1.6714   50.305   8.5059   44.050   12.368   55.919   11.717   17.004   2.7499   19.515   2.2328 -2.510622 3.542236 
1 1 1    7   22    4 o   23.038   1.6078   75.379   10.080   40.081   15.360  102.076   13.358   15.586   3.6611   26.681   1.8395 -11.09548 4.097283 
1 1 1    7   22    5 o   17.989   2.1249   47.465   10.265   7.8421   17.828   67.115   12.555   9.4054   3.9886   21.394   2.1732 -11.98825 4.542201 
1 1 1    7   22    6 o   14.721   2.7066   33.380   10.509   19.153   15.701   44.925   14.144   10.936   4.0083   16.796   3.1918 -5.859746 5.123857 
1 1 1    7   22    7 o   7.6698   3.2996   2.8263   12.518 -28.7132   18.482   29.560   17.015   6.3384   3.1100   12.922   4.1994 -6.583115 5.225574 
1 1 1    7   22    8 o   24.170   1.7682   84.055   11.622   64.276   19.033   95.814   14.675   19.635   3.6750   25.552   2.1164 -5.917297 4.240809 
1 1 1    7   23    1 o   5.3999   2.4756  -4.2289   8.2908  -6.3479   9.0584   6.7074   20.579   5.4006   2.5149   9.5370   4.1655 -4.136443 4.865800 
1 1 1    8    0    1 o  250.211   3.2382  8580.99  221.783  8580.99  221.783  8580.99  221.783  250.211   3.2382  250.211   3.2382 0.000000 0.000000 
1 1 1    8    0    2 o   67.986   1.4366  633.769   26.719  633.769   26.719  633.769   26.719   67.986   1.4366   67.986   1.4366 0.000000 0.000000 
1 1 1    8    0    3 o   55.544   1.4190  423.284   21.551  423.284   21.551  423.284   21.551   55.544   1.4190   55.544   1.4190 0.000000 0.000000 
1 1 1    8    0    4 o  102.300   1.4703  1433.95   41.168  1433.95   41.168  1433.95   41.168  102.300   1.4703  102.300   1.4703 0.000000 0.000000 
1 1 1    8    0    5 o   19.623   2.4299   55.122   12.519   55.122   12.519   55.122   12.519   19.623   2.4299   19.623   2.4299 0.000000 0.000000 
1 1 1    8    0    6 o  124.825   1.9298  2135.53   65.927  2135.53   65.927  2135.53   65.927  124.825   1.9298  124.825   1.9298 0.000000 0.000000 
1 1 1    8    0    7 o   26.058   1.8636   94.420   13.141   94.420   13.141   94.420   13.141   26.058   1.8636   26.058   1.8636 0.000000 0.000000 
1 1 1    8    0    8 o   65.015   1.7902  580.308   31.817  580.308   31.817  580.308   31.817   65.015   1.7902   65.015   1.7902 0.000000 0.000000 
1 1 1    8    0    9 o   50.373   1.2316  348.136   16.966  348.136   16.966  348.136   16.966   50.373   1.2316   50.373   1.2316 0.000000 0.000000 
1 1 1    8    0   10 o  151.003   2.0670  3126.88   85.434  3126.88   85.434  3126.88   85.434  151.003   2.0670  151.003   2.0670 0.000000 0.000000 
1 1 1    8    0   11 o   40.619   1.3180  226.734   14.625  226.734   14.625  226.734   14.625   40.619   1.3180   40.619   1.3180 0.000000 0.000000 
1 1 1    8    0   12 o   58.384   1.5041  468.012   24.011  468.012   24.011  468.012   24.011   58.384   1.5041   58.384   1.5041 0.000000 0.000000 
1 1 1    8    0   13 o  105.398   1.4482  1523.04   41.780  1523.04   41.780  1523.04   41.780  105.398   1.4482  105.398   1.4482 0.000000 0.000000 
1 1 1    8    0   14 o   61.919   1.5115  526.378   25.593  526.378   25.593  526.378   25.593   61.919   1.5115   61.919   1.5115 0.000000 0.000000 
1 1 1    8    0   15 f   16.167   5.2120   45.744   20.377   45.744   20.377   45.744   20.377   16.167   5.2120   16.167   5.2120 0.000000 0.000000 
1 1 1    8    0   16 o   20.706   2.8737   62.245   15.397   62.245   15.397   62.245   15.397   20.706   2.8737   20.706   2.8737 0.000000 0.000000 
1 1 1    8    0   17 o   18.915   3.3348   53.616   15.669   53.616   15.669   53.616   15.669   18.915   3.3348   18.915   3.3348 0.000000 0.000000 
1 1 1    8    0   18 o   53.416   1.7765  392.916   25.920  392.916   25.920  392.916   25.920   53.416   1.7765   53.416   1.7765 0.000000 0.000000 
1 1 1    8    0   19 o   40.349   1.8072  224.908   19.876  224.908   19.876  224.908   19.876   40.349   1.8072   40.349   1.8072 0.000000 0.000000 
1 1 1    8    0   20 o   6.5600   4.3357  -4.1078   20.235  -4.1078   20.235  -4.1078   20.235   6.5600   4.3357   6.5600   4.3357 0.000000 0.000000 
1 1 1    8    0   21 f   5.7250   3.9059 -10.8134   19.011 -10.8134   19.011 -10.8134   19.011   5.7250   3.9059   5.7250   3.9059 0.000000 0.000000 
1 1 1    8    0   22 o   7.4078   4.6163   5.6840   19.010   5.6840   19.010   5.6840   19.010   7.4078   4.6163   7.4078   4.6163 0.000000 0.000000 
1 1 1    8    0   23 o   28.935   2.5186  119.098   19.608  119.098   19.608  119.098   19.608   28.935   2.5186   28.935   2.5186 0.000000 0.000000 
1 1 1    8    0   24 o   27.840   3.0050  113.478   22.233  113.478   22.233  113.478   22.233   27.840   3.0050   27.840   3.0050 0.000000 0.000000 
1 1 1    8    0   25 o   5.8814   4.0284  -9.2666   20.668  -9.2666   20.668  -9.2666   20.668   5.8814   4.0284   5.8814   4.0284 0.000000 0.000000 
1 1 1    8    0   26 o   12.685   5.0364   34.212   16.880   34.212   16.880   34.212   16.880   12.685   5.0364   12.685   5.0364 0.000000 0.000000 
1 1 1    8    1    0 o  105.575   2.0272  1528.12   58.558  1528.12   58.558  1528.12   58.558  105.575   2.0272  105.575   2.0272 0.000000 0.000000 
1 1 1    8    1    1 o  195.436   1.6293  5231.13   87.193  5100.74  120.129  5376.32  126.758  192.958   2.2735  198.098   2.3367 -5.140839 3.260219 
1 1 1    8    1    2 o   86.485   1.0106  1024.22   23.934  1057.05   31.799  981.328   36.351   87.857   1.3217   84.648   1.5682 3.208809 2.050945 
1 1 1    8    1    3 o  177.199   1.3590  4300.09   65.945  4337.07   93.829  4264.00   92.701  177.939   1.9256  176.434   1.9187 1.505020 2.718377 
1 1 1    8    1    4 o   71.690   1.3480  703.843   26.463  750.724   34.781  639.393   40.780   74.034   1.7156   68.316   2.1799 5.717506 2.774029 
1 1 1    8    1    5 o  193.137   1.5494  5109.00   81.946  5043.09  109.517  5192.85  123.521  191.861   2.0845  194.674   2.3171 -2.813858 3.116738 
1 1 1    8    1    6 o  139.657   1.1491  2671.04   43.946  2660.34   62.073  2681.79   62.225  139.361   1.6266  139.922   1.6240 -0.5606842 2.298500 
1 1 1    8    1    7 o   73.307   1.2136  736.006   24.362  753.538   33.819  717.095   35.124   74.164   1.6652   72.346   1.7730 1.818489 2.432353 
1 1 1    8    1    8 f  100.563   1.0419  1385.06   28.691  1375.40   37.864  1398.08   43.966  100.201   1.3799  101.015   1.5894 -0.8142395 2.104892 
1 1 1    8    1    9 o  125.332   1.4100  2152.24   48.393  2105.83   67.620  2200.97   69.286  123.929   1.9926  126.697   1.9970 -2.768059 2.821074 
1 1 1    8    1   10 o   58.716   0.8966  472.218   14.417  469.168   19.236  476.127   21.776   58.517   1.2005   58.944   1.3491 -0.4269943 1.805862 
1 1 1    8    1   11 o   37.555   1.0827  193.241   11.135  193.031   15.386  193.473   16.134   37.522   1.4974   37.562   1.5686 -0.4046249E-01 2.168570 
1 1 1    8    1   12 o   63.308   0.8580  549.027   14.874  556.959   21.109  541.205   20.963   63.747   1.2093   62.839   1.2182 0.9084969 1.716511 
1 1 1    8    1   13 o  188.752   1.5917  4887.28   82.268  4876.58  116.156  4898.06  116.536  188.367   2.2519  188.780   2.2543 -0.4136200 3.186364 
1 1 1    8    1   14 o   22.258   1.5711   68.308   9.5140   68.306   13.590   68.310   13.324   22.173   2.2702   22.180   2.2237 -0.7301331E-02 3.177779 
1 1 1    8    1   15 o   70.509   1.1042  681.487   21.320  699.979   30.791  664.457   29.549   71.416   1.5745   69.583   1.5508 1.833183 2.209975 
1 1 1    8    1   16 o  100.517   1.1539  1385.46   31.760  1352.78   47.671  1411.55   42.589   99.227   1.7544  101.400   1.5338 -2.173828 2.330363 
1 1 1    8    1   17 o   27.676   1.6858  105.664   12.715   88.269   17.955  123.166   18.010   25.137   2.6482   29.813   2.2221 -4.675606 3.456968 
1 1 1    8    1   18 o   49.623   1.3787  338.153   18.735  337.826   28.669  338.396   24.751   49.499   2.1150   49.586   1.8228 -0.8615494E-01 2.792157 
1 1 1    8    1   19 o   25.118   1.9916   87.545   13.586   94.728   18.410   78.953   20.133   26.013   2.6201   23.590   3.1992 2.423195 4.135204 
1 1 1    8    1   20 o   44.748   1.3163  275.179   16.129  271.342   24.178  278.256   21.651   44.330   1.9918   44.933   1.7597 -0.6026382 2.657726 
1 1 1    8    1   21 o   42.874   1.3050  252.822   15.321  251.850   21.785  253.773   21.552   42.692   1.8635   42.860   1.8363 -0.1684380 2.616199 
1 1 1    8    1   22 o   17.004   3.0345   42.033   13.612   58.485   18.795   23.888   19.739   19.942   3.5730   13.128   4.5264 6.814589 5.766674 
1 1 1    8    1   23 o   23.761   2.1100   79.742   13.586   76.845   19.118   82.698   19.311   22.914   3.1286   23.830   3.0277 -0.9160652 4.353753 
1 1 1    8    1   24 o   10.574   3.8305   15.626   14.279   26.687   20.452   5.1060   19.945   13.063   4.6012   9.8106   4.1912 3.252688 6.223912 
1 1 1    8    1   25 o   24.088   2.3625   85.351   15.383  115.712   22.316   57.864   21.233   27.514   3.0111   18.369   4.2977 9.145121 5.247539 
1 1 1    8    1   26 o   8.7799   3.4832   9.6255   12.482   10.666   16.506   8.2363   19.076   9.5011   3.9189   9.5142   4.0826 -0.1312733E-01 5.659113 
1 1 1    8    2    0 o   18.320   2.9015   49.297   13.463   49.297   13.463   49.297   13.463   18.320   2.9015   18.320   2.9015 0.000000 0.000000 
1 1 1    8    2    1 o  144.803   1.1027  2871.28   43.723  2895.48   65.150  2851.46   58.977  145.399   1.6363  144.293   1.4926 1.105698 2.214799 
1 1 1    8    2    2 f  219.702   2.0294  6612.17  122.096  5918.64  175.451  7263.39  170.016  207.794   3.0834  230.224   2.6968 -22.42982 4.096382 
1 1 1    8    2    3 o  118.537   1.0414  1924.09   33.804  1902.97   49.474  1942.58   46.296  117.875   1.5327  119.098   1.4196 -1.222778 2.089118 
1 1 1    8    2    4 o  105.412   0.8928  1521.55   25.772  1517.78   38.481  1524.62   34.706  105.275   1.3348  105.514   1.2012 -0.2394028 1.795711 
1 1 1    8    2    5 o   92.495   1.3400  1171.71   33.942  974.393   50.644  1332.60   45.732   84.329   2.1931   98.634   1.6932 -14.30448 2.770669 
1 1 1    8    2    6 o  138.252   1.2889  2617.81   48.794  2631.72   66.083  2601.12   72.353  138.602   1.7411  137.786   1.9176 0.8162384 2.590121 
1 1 1    8    2    7 o   42.789   0.9718  250.735   11.386  241.991   15.171  262.013   17.231   42.032   1.3181   43.735   1.4387 -1.702629 1.951237 
1 1 1    8    2    8 o   95.139   1.0757  1239.72   28.026  1246.14   35.201  1228.60   46.318   95.376   1.3478   94.683   1.7864 0.6930771 2.237844 
1 1 1    8    2    9 o   75.962   0.9676  790.325   20.128  785.917   28.998  794.424   27.961   75.735   1.3982   76.146   1.3410 -0.4110413 1.937340 
1 1 1    8    2   10 o   41.857   0.9278  239.987   10.634  237.581   14.989  242.424   15.089   41.638   1.3146   42.060   1.3101 -0.4223709 1.855941 
1 1 1    8    2   11 o  107.110   1.0331  1571.88   30.302  1575.36   43.045  1568.46   42.666  107.192   1.4665  106.958   1.4567 0.2339096 2.067016 
1 1 1    8    2   12 o   87.591   1.0534  1051.27   25.267  1069.94   43.130  1041.52   31.178   88.301   1.7837   87.165   1.3062 1.135559 2.210842 
1 1 1    8    2   13 o   75.510   0.9297  781.190   19.224  768.149   28.753  791.732   25.853   74.846   1.4029   75.998   1.2422 -1.152489 1.873843 
1 1 1    8    2   14 o   93.869   0.9819  1207.43   25.240  1259.88   37.003  1161.79   34.516   95.844   1.4099   92.042   1.3695 3.802216 1.965483 
1 1 1    8    2   15 o   72.573   1.0977  721.981   21.815  740.145   30.948  704.042   30.755   73.438   1.5389   71.622   1.5681 1.816673 2.197107 
1 1 1    8    2   16 o   48.610   1.0086  323.914   13.426  300.328   18.705  348.979   19.283   46.777   1.4602   50.429   1.3964 -3.651939 2.020435 
1 1 1    8    2   17 o   53.735   1.0082  395.901   14.835  384.182   20.980  407.620   20.980   52.895   1.4485   54.489   1.4061 -1.594131 2.018696 
1 1 1    8    2   18 o   52.672   1.3424  380.946   19.362  374.488   25.570  389.626   29.643   52.166   1.7901   53.170   2.0359 -1.004333 2.710952 
1 1 1    8    2   19 o   84.428   1.1173  978.238   25.832  986.200   34.551  968.147   38.898   84.695   1.4898   83.866   1.6938 0.8292084 2.255719 
1 1 1    8    2   20 o   59.206   1.0960  481.195   17.769  469.897   24.997  492.736   25.263   58.428   1.5623   59.835   1.5419 -1.407166 2.195054 
1 1 1    8    2   21 o   13.775   3.6632   27.879   14.058   41.621   20.722   16.165   19.133   16.693   4.4517   11.822   4.4080 4.870110 6.264818 
1 1 1    8    2   22 o   41.099   1.5689  233.454   17.657  220.280   23.821  249.519   26.305   39.686   2.2006   42.211   2.2843 -2.525288 3.171803 
1 1 1    8    2   23 o   16.188   3.2510   39.168   13.911   35.710   20.424   42.161   18.999   15.102   4.5575   16.443   4.2034 -1.340806 6.199966 
1 1 1    8    2   24 o   18.693   2.6725   51.602   13.290   38.868   18.906   64.041   18.686   15.373   4.3149   20.392   3.4706 -5.019491 5.537439 
1 1 1    8    2   25 o   10.453   3.9822   15.794   15.804   8.7457   20.827   25.363   24.267   10.032   4.2843   12.467   4.8847 -2.434689 6.497379 
1 1 1    8    2   26 f   8.6976   3.4894   9.0865   12.666  -1.2556   16.470   24.058   19.816   7.9658   3.5873   11.789   4.4666 -3.822968 5.728839 
1 1 1    8    3    0 o  117.731   1.8233  1899.51   58.750  1899.51   58.750  1899.51   58.750  117.731   1.8233  117.731   1.8233 0.000000 0.000000 
1 1 1    8    3    1 o   73.642   1.2621  742.676   25.451  738.660   34.625  747.397   37.538   73.437   1.7218   73.868   1.8558 -0.4308853 2.531522 
1 1 1    8    3    2 o  123.586   1.0216  2091.48   34.574  2123.11   45.654  2048.95   52.942  124.511   1.3390  122.312   1.5807 2.199501 2.071582 
1 1 1    8    3    3 o   53.215   1.5298  387.853   22.293  384.188   32.215  391.222   30.881   52.954   2.2216   53.439   2.1103 -0.4842911 3.064125 
1 1 1    8    3    4 o  157.915   1.5403  3415.54   66.605  3306.86   90.493  3544.03   98.391  155.358   2.1271  160.827   2.2341 -5.469360 3.084782 
1 1 1    8    3    5 o  184.884   1.4223  4681.73   72.007  4691.73  102.208  4671.88  101.463  185.049   2.0170  184.657   2.0066 0.3912659 2.845103 
1 1 1    8    3    6 o  193.309   1.6181  5119.15   85.652  5196.71  112.670  5012.95  131.838  194.731   2.1129  191.220   2.5178 3.511002 3.286894 
1 1 1    8    3    7 o   56.511   1.1981  437.407   18.540  410.387   22.581  493.301   32.477   54.732   1.5066   59.994   1.9769 -5.262100 2.485552 
1 1 1    8    3    8 o  101.915   1.1154  1422.71   31.130  1407.10   39.002  1450.10   51.672  101.343   1.4054  102.856   1.8346 -1.513252 2.311034 
1 1 1    8    3    9 o  135.738   1.3433  2524.65   49.931  2510.95   82.228  2532.66   62.844  135.278   2.2197  135.922   1.6884 -0.6443329 2.788924 
1 1 1    8    3   10 o   69.070   0.8587  653.445   16.242  656.166   23.138  650.802   22.805   69.199   1.2210   68.916   1.2084 0.2828827 1.717913 
1 1 1    8    3   11 o  153.365   1.3299  3224.22   55.851  3200.66   78.550  3248.32   79.428  152.714   1.8784  153.846   1.8854 -1.131516 2.661361 
1 1 1    8    3   12 o   83.125   0.9698  946.716   22.076  963.711   33.884  934.182   29.099   83.831   1.4760   82.552   1.2872 1.278915 1.958483 
1 1 1    8    3   13 o   54.992   0.9466  414.351   14.254  483.829   23.698  374.967   17.842   59.396   1.4570   52.300   1.2458 7.095592 1.917051 
1 1 1    8    3   14 o   45.438   0.9560  282.913   11.895  296.487   17.483  271.216   16.230   46.496   1.3731   44.472   1.3327 2.023579 1.913553 
1 1 1    8    3   15 o   53.515   1.1036  392.600   16.173  387.060   22.315  398.729   23.471   53.105   1.5345   53.895   1.5904 -0.7898293 2.209986 
1 1 1    8    3   16 o   67.225   0.9447  619.434   17.390  621.461   25.046  617.546   24.165   67.297   1.3591   67.089   1.3153 0.2075577 1.891382 
1 1 1    8    3   17 o   76.490   0.9780  802.140   20.485  808.046   29.461  796.611   28.503   76.717   1.4024   76.177   1.3664 0.5394211 1.957980 
1 1 1    8    3   18 o   39.705   1.6705  216.840   18.163  237.660   22.558  178.456   30.629   41.529   1.9836   35.675   3.1682 5.853157 3.737969 
1 1 1    8    3   19 o   14.937   3.1424   32.245   12.446   39.389   17.710   25.274   17.494   16.398   3.9834   13.421   4.2476 2.977155 5.823221 
1 1 1    8    3   20 o   30.689   1.6692  130.134   13.975  136.749   19.874  123.665   19.654   31.328   2.3334   29.761   2.4329 1.567783 3.370998 
1 1 1    8    3   21 o   33.202   1.6806  152.544   15.230  162.648   22.467  143.953   20.717   34.098   2.4219   32.082   2.3750 2.016190 3.392124 
1 1 1    8    3   22 o   17.313   3.3904   44.256   15.498   43.159   20.861   45.607   23.153   16.784   4.4621   17.183   4.7580 -0.3994102 6.522993 
1 1 1    8    3   23 o   26.226   2.0675   97.154   14.728  100.308   21.591   94.410   20.141   26.185   3.0694   25.459   2.9432 0.7254066 4.252512 
1 1 1    8    3   24 o   14.974   3.3179   34.834   13.247   31.245   18.916   38.290   18.558   13.783   4.4227   15.219   4.2760 -1.435834 6.151794 
1 1 1    8    3   25 o   16.813   3.3106   45.017   14.699   66.817   21.547   26.039   20.104   19.890   4.0926   12.400   4.5370 7.489642 6.110153 
1 1 1    8    3   26 o   12.502   3.4222   26.107   12.058   30.882   16.926   21.187   17.181   13.099   4.1816   11.224   4.1786 1.875511 5.911562 
1 1 1    8    4    0 o   68.571   1.0128  644.249   19.008  644.249   19.008  644.249   19.008   68.571   1.0128   68.571   1.0128 0.000000 0.000000 
1 1 1    8    4    1 o  153.649   1.4120  3233.22   59.409  3168.56   78.835  3318.20   90.375  152.088   1.8929  155.628   2.1207 -3.540176 2.842595 
1 1 1    8    4    2 o   51.333   1.0792  360.848   15.170  155.034   29.596  434.189   17.667   33.465   3.2714   56.308   1.1458 -22.84245 3.466274 
1 1 1    8    4    3 o  120.792   1.3973  1998.34   46.218  1968.56   69.649  2021.77   61.780  119.865   2.1219  121.484   1.8571 -1.619026 2.819823 
1 1 1    8    4    4 o  192.083   1.5326  5053.74   80.611  4954.94  117.182  5142.49  111.067  190.151   2.2505  193.728   2.0936 -3.576782 3.073753 
1 1 1    8    4    5 f  105.807   1.2520  1533.29   36.276  1433.88   45.532  1706.05   60.024  102.308   1.6252  111.582   1.9644 -9.274246 2.549592 
1 1 1    8    4    6 o  243.744   2.1121  8143.34  140.972  8233.45  191.379  8036.45  208.441  244.978   2.8528  241.977   3.1457 3.000626 4.246674 
1 1 1    8    4    7 o  157.924   1.7392  3417.90   75.211  3570.90   97.067  3188.04  118.973  161.376   2.1966  152.403   2.8508 8.973053 3.598876 
1 1 1    8    4    8 o   54.261   0.8836  403.249   13.129  404.473   17.589  401.709   19.728   54.337   1.1821   54.147   1.3305 0.1898232 1.779780 
1 1 1    8    4    9 o  104.952   1.0663  1509.00   30.645  1517.11   47.040  1503.02   40.392  105.194   1.6330  104.722   1.4085 0.4720459 2.156538 
1 1 1    8    4   10 f   89.464   0.9360  1096.45   22.931  1097.19   32.686  1095.74   32.179   89.469   1.3341   89.412   1.3143 0.5753326E-01 1.872762 
1 1 1    8    4   11 o  107.673   1.0291  1588.51   30.342  1583.57   42.822  1593.48   42.999  107.466   1.4551  107.801   1.4566 -0.3354721 2.058907 
1 1 1    8    4   12 o   77.049   0.8780  813.277   18.524  835.450   26.818  793.044   25.618   78.069   1.2544   76.063   1.2299 2.005371 1.756799 
1 1 1    8    4   13 o   54.038   0.9293  400.096   13.751  391.556   21.051  406.452   18.161   53.432   1.4388   54.452   1.2180 -1.019886 1.885084 
1 1 1    8    4   14 o   37.163   1.2591  189.371   12.813  199.596   22.700  184.590   15.522   38.035   2.1887   36.677   1.5455 1.357582 2.679352 
1 1 1    8    4   15 o   50.758   0.9688  353.111   13.466  353.979   19.156  352.263   18.934   50.794   1.3772   50.672   1.3645 0.1222992 1.938758 
1 1 1    8    4   16 o   58.370   0.9663  467.037   15.446  459.872   21.944  474.072   21.744   57.884   1.3844   58.775   1.3510 -0.8902817 1.934379 
1 1 1    8    4   17 f   57.689   1.0050  456.343   15.876  453.103   22.630  459.483   22.279   57.439   1.4388   57.846   1.4065 -0.4068260 2.012034 
1 1 1    8    4   18 o   28.894   2.0248  115.673   15.919  110.385   21.458  122.146   23.741   28.064   2.8310   29.500   2.9798 -1.435888 4.110197 
1 1 1    8    4   19 o   34.046   1.5186  159.432   14.158  161.200   19.295  157.370   20.839   34.106   2.0759   33.656   2.2745 0.4497948 3.079445 
1 1 1    8    4   20 o   68.620   1.0573  646.407   19.867  680.561   29.125  616.687   27.168   70.313   1.5126   66.939   1.4822 3.373756 2.117743 
1 1 1    8    4   21 o   30.126   1.7225  125.796   14.151  119.828   19.896  131.908   20.132   29.200   2.5127   30.675   2.4163 -1.474928 3.485963 
1 1 1    8    4   22 o   7.6815   3.4715  -6.8334   15.581  -1.4522   20.964 -13.4746   23.289   9.6037   4.1992   8.9880   4.1311 0.6157236 5.890620 
1 1 1    8    4   23 o   10.391   3.6945   14.743   13.216   16.327   18.721   13.169   18.659   11.372   4.3336   10.861   4.2746 0.5109262 6.087052 
1 1 1    8    4   24 o   9.2252   3.5744   10.232   12.883   22.540   18.475  -1.4173   17.974   12.061   4.3590   8.5564   3.8081 3.504590 5.788136 
1 1 1    8    4   25 o   27.619   1.9498  110.109   14.652   99.983   17.840  131.091   25.680   25.845   2.5542   28.827   3.3134 -2.981503 4.183629 
1 1 1    8    4   26 o   10.839   3.7295   19.656   13.397   4.5908   18.474   36.367   19.457   8.9314   3.9226   13.898   4.4883 -4.966327 5.960842 
1 1 1    8    5    0 o  257.532   3.8653  9097.96  272.449  9097.96  272.449  9097.96  272.449  257.532   3.8653  257.532   3.8653 0.000000 0.000000 
1 1 1    8    5    1 o  135.675   1.0606  2520.82   39.405  2500.98   58.321  2537.48   53.451  135.125   1.5761  136.112   1.4341 -0.9875336 2.130919 
1 1 1    8    5    2 o   93.458   0.8518  1196.06   21.800  1187.06   32.637  1203.31   29.293   93.099   1.2802   93.737   1.1412 -0.6378403 1.715031 
1 1 1    8    5    3 o   36.382   1.0721  181.272   10.681  304.597   27.023  158.440   11.627   47.147   2.0931   34.012   1.2484 13.13432 2.437134 
1 1 1    8    5    4 o   57.160   0.8995  447.429   14.079  448.351   18.798  446.251   21.247   57.215   1.1998   57.079   1.3594 0.1366310 1.813115 
1 1 1    8    5    5 o   73.346   0.8101  736.692   16.271  734.037   23.831  739.011   22.271   73.207   1.1888   73.456   1.1072 -0.2493820 1.624508 
1 1 1    8    5    6 o  125.905   1.2635  2171.50   43.562  2205.52   56.168  2120.14   69.009  126.868   1.6168  124.360   2.0265 2.508392 2.592378 
1 1 1    8    5    7 o   28.439   1.4077  110.813   10.962  129.331   15.872   93.925   15.158   30.655   1.9002   26.082   2.1412 4.573006 2.862771 
1 1 1    8    5    8 o   35.142   1.0867  169.179   10.457  185.215   16.341  158.056   13.609   36.757   1.6234   33.959   1.4634 2.797894 2.185670 
1 1 1    8    5    9 o   55.356   0.9445  419.776   14.318  410.731   20.314  428.704   20.183   54.742   1.3551   55.928   1.3179 -1.186508 1.890281 
1 1 1    8    5   10 o  158.473   1.3645  3442.81   59.214  3449.78   84.055  3435.95   83.430  158.533   1.9362  158.217   1.9257 0.3157806 2.730770 
1 1 1    8    5   11 o   63.185   0.9677  546.986   16.743  626.891   31.430  515.327   19.784   67.595   1.6980   61.319   1.1782 6.276417 2.066747 
1 1 1    8    5   12 o   6.0017   2.6639  -3.1810   8.7375  -3.0074   12.811  -3.3320   11.948   7.4805   3.2764   7.1508   3.1472 0.3297348 4.543087 
1 1 1    8    5   13 o   97.646   1.0124  1306.64   27.071  1297.88   39.387  1314.48   37.269   97.269   1.4787   97.900   1.3902 -0.6310654 2.029588 
1 1 1    8    5   14 o   93.194   1.1845  1190.80   30.227  1187.29   52.865  1192.51   36.844   92.923   2.0776   93.230   1.4432 -0.3065491 2.529642 
1 1 1    8    5   15 o   27.522   1.4424  104.241   10.833  102.523   15.351  105.944   15.288   27.219   2.0753   27.678   2.0313 -0.4590969 2.903954 
1 1 1    8    5   16 o   12.103   3.1928   21.060   10.734   16.413   15.262   25.609   15.100   11.419   3.9777   13.398   3.8876 -1.978923 5.561982 
1 1 1    8    5   17 o   51.433   1.1088  362.882   15.616  379.263   21.534  344.712   22.679   52.539   1.4967   50.070   1.6541 2.469547 2.230750 
1 1 1    8    5   18 o   26.002   2.1187   93.932   14.954   89.969   21.647   97.550   20.683   25.208   3.2087   26.335   2.9171 -1.127632 4.336505 
1 1 1    8    5   19 o   85.014   1.1174  992.110   26.012  1025.81   35.810  954.462   37.848   86.353   1.5144   83.256   1.6601 3.096962 2.247060 
1 1 1    8    5   20 o   52.886   1.1426  384.225   16.547  387.697   23.726  380.937   23.090   53.033   1.6337   52.576   1.6038 0.4579277 2.289353 
1 1 1    8    5   21 o   36.548   1.4395  184.176   14.407  205.133   20.911  165.240   19.877   38.398   1.9956   34.416   2.1194 3.982231 2.911086 
1 1 1    8    5   22 f   58.026   1.6344  467.032   25.969  532.400   49.834  442.664   30.427   61.043   2.9813   56.326   1.9727 4.716988 3.574883 
1 1 1    8    5   23 o   19.095   2.6237   53.262   13.356   44.002   19.215   61.919   18.578   16.568   4.2227   20.163   3.4912 -3.595348 5.479017 
1 1 1    8    5   24 o   7.8363   3.3247   3.0964   12.396  -2.5335   17.438   8.8472   17.624   8.2663   3.7096   9.7033   4.0298 -1.436996 5.477315 
1 1 1    8    5   25 o   27.211   1.8096  106.379   13.407  120.661   17.308   84.950   21.200   28.652   2.2234   22.920   3.4879 5.732141 4.136303 
1 1 1    8    6    0 f   54.077   1.4393  401.334   21.279  401.334   21.279  401.334   21.279   54.077   1.4393   54.077   1.4393 0.000000 0.000000 
1 1 1    8    6    1 o   88.558   1.0464  1074.03   25.376  885.151   37.559  1232.66   34.421   80.379   1.7064   94.866   1.3250 -14.48681 2.160454 
1 1 1    8    6    2 o  209.357   1.5237  6004.31   87.353  6024.32  129.409  5987.56  118.396  209.639   2.2543  209.017   2.0685 0.6213226 3.059504 
1 1 1    8    6    3 o   21.586   1.3564   64.081   7.9771  128.199   16.623   44.897   9.0925   30.519   2.0001   18.004   1.8717 12.51521 2.739270 
1 1 1    8    6    4 o   34.443   1.1421  162.492   10.772   90.752   17.133  209.396   13.853   25.605   2.4744   39.098   1.2939 -13.49324 2.792256 
1 1 1    8    6    5 o  101.954   1.1363  1423.81   31.723  1406.59   41.441  1448.18   49.304  101.320   1.4936  102.794   1.7516 -1.473114 2.301933 
1 1 1    8    6    6 o  127.352   1.3448  2222.16   46.898  2380.87   74.356  2117.31   60.436  131.759   2.0608  124.279   1.7759 7.480133 2.720433 
1 1 1    8    6    7 o  128.776   1.1695  2272.01   41.240  2406.28   63.452  2173.80   54.264  132.474   1.7491  125.930   1.5736 6.544640 2.352807 
1 1 1    8    6    8 o  158.635   1.3084  3448.85   56.835  3458.48   78.199  3438.08   82.749  158.788   1.7984  158.300   1.9089 0.4873505 2.622669 
1 1 1    8    6    9 o   15.098   2.2464   31.993   9.0044   38.372   14.153   27.655   11.671   16.399   3.2665   13.894   3.1413 2.504500 4.531868 
1 1 1    8    6   10 o   27.895   1.2572  106.662   9.6038  103.143   13.060  110.806   14.171   27.361   1.7523   28.355   1.8349 -0.9941540 2.537220 
1 1 1    8    6   11 o   68.435   0.8666  641.603   16.240  659.925   23.486  624.815   22.481   69.385   1.2361   67.516   1.2160 1.869720 1.733927 
1 1 1    8    6   12 o  112.057   1.0999  1720.97   33.752  1707.29   49.094  1733.24   46.478  111.547   1.6072  112.406   1.5100 -0.8585663 2.205274 
1 1 1    8    6   13 o   9.6157   3.3347   11.506   10.721   40.084   18.999  -1.8466   12.986   16.655   4.1740   7.6929   3.3350 8.961855 5.342713 
1 1 1    8    6   14 o  119.772   1.3920  1968.19   45.655  1926.97   78.099  1989.60   56.272  118.266   2.4116  120.358   1.7074 -2.092529 2.954782 
1 1 1    8    6   15 f   36.917   1.1606  186.918   11.732  199.518   17.194  175.939   16.050   38.109   1.6476   35.787   1.6378 2.321873 2.323103 
1 1 1    8    6   16 o   86.999   1.0088  1037.82   24.033  1057.43   35.001  1020.32   33.058   87.748   1.4567   86.204   1.4004 1.543701 2.020650 
1 1 1    8    6   17 o   75.063   1.0103  772.777   20.767  839.140   31.085  719.283   27.909   78.149   1.4526   72.360   1.4085 5.788467 2.023306 
1 1 1    8    6   18 o   11.521   3.7278   18.193   13.417   34.118   17.916  -2.1428   20.246   15.282   4.1667   9.5767   4.1579 5.705175 5.886391 
1 1 1    8    6   19 o   71.115   1.1203  694.387   21.817  731.954   35.045  670.613   27.879   72.865   1.7564   69.819   1.4582 3.045616 2.282795 
1 1 1    8    6   20 o   62.860   1.1485  543.016   19.769  567.294   27.243  516.012   28.731   64.152   1.5508   61.138   1.7162 3.014343 2.313031 
1 1 1    8    6   21 o   33.970   1.5805  159.539   14.702  185.102   22.982  141.829   19.129   36.318   2.3230   31.811   2.2097 4.507442 3.206105 
1 1 1    8    6   22 o   23.343   2.1788   77.216   13.766   76.985   18.862   77.478   20.138   22.934   3.0813   22.900   3.3071 0.3399849E-01 4.520138 
1 1 1    8    6   23 o   16.424   2.7525   40.157   11.941   50.393   18.293   32.556   15.763   17.824   3.8596   14.258   3.9169 3.565568 5.498972 
1 1 1    8    6   24 o   11.938   3.8335   23.356   14.209   18.699   17.650   31.934   23.955   11.130   4.2158   13.453   4.9480 -2.323451 6.500430 
1 1 1    8    6   25 o   11.417   3.5967   21.780   12.554   27.196   16.141   13.486   19.974   12.452   4.0922   10.292   4.2836 2.159264 5.924132 
1 1 1    8    7    0 o   78.463   1.1869  843.687   25.489  843.687   25.489  843.687   25.489   78.463   1.1869   78.463   1.1869 0.000000 0.000000 
1 1 1    8    7    1 f   68.527   1.2529  643.256   23.512  674.889   33.509  612.582   32.998   70.176   1.7438   66.856   1.8024 3.319923 2.507854 
1 1 1    8    7    2 o   56.599   1.4193  438.883   21.997  424.425   29.551  456.851   32.943   55.644   1.9394   57.725   2.0841 -2.081249 2.846857 
1 1 1    8    7    3 o  209.392   1.8344  6009.95  105.184  6035.40  143.250  5980.18  154.942  209.734   2.4942  208.734   2.7107 1.001022 3.683642 
1 1 1    8    7    4 o  140.627   1.3762  2709.60   52.995  2769.47   78.470  2659.40   71.857  142.114   2.0164  139.275   1.8841 2.839310 2.759674 
1 1 1    8    7    5 o  134.160   1.3079  2466.21   48.050  2463.63   67.638  2468.84   68.273  134.041   1.8427  134.181   1.8581 -0.1399841 2.616920 
1 1 1    8    7    6 o  169.056   1.3619  3916.80   63.047  3877.87   93.554  3949.19   85.335  168.117   2.0322  169.689   1.8365 -1.571442 2.739038 
1 1 1    8    7    7 o   62.115   0.9715  528.566   16.525  599.311   26.804  485.194   20.987   66.118   1.4804   59.500   1.2881 6.617680 1.962388 
1 1 1    8    7    8 o   56.379   0.9086  435.444   14.027  497.069   24.094  403.846   17.253   60.210   1.4613   54.285   1.1606 5.924736 1.866131 
1 1 1    8    7    9 o   70.804   0.9824  686.860   19.048  769.314   35.875  654.490   22.478   74.878   1.7496   69.104   1.1879 5.773582 2.114763 
1 1 1    8    7   10 o   47.257   0.9589  305.983   12.408  303.205   16.021  310.147   19.617   47.031   1.2440   47.554   1.5064 -0.5225601 1.953655 
1 1 1    8    7   11 o   31.809   1.2898  138.721   11.235  148.360   16.808  130.937   15.105   32.817   1.8782   30.832   1.7969 1.985483 2.599302 
1 1 1    8    7   12 o   72.250   0.9538  715.295   18.871  701.198   28.692  726.042   25.051   71.494   1.4656   72.768   1.2572 -1.274078 1.930889 
1 1 1    8    7   13 o   59.772   0.9152  489.588   14.980  497.639   21.870  482.472   20.562   60.233   1.3259   59.313   1.2659 0.9202919 1.833227 
1 1 1    8    7   14 o   30.329   1.4775  126.273   12.271  132.487   20.292  122.691   15.407   30.908   2.4168   29.812   1.8971 1.095951 3.072498 
1 1 1    8    7   15 o   52.237   1.1484  374.282   16.427  388.253   30.196  368.409   19.578   53.095   2.0769   51.805   1.3801 1.289787 2.493592 
1 1 1    8    7   16 o   42.694   1.1847  250.112   13.850  259.194   19.218  240.298   19.978   43.421   1.6163   41.794   1.7456 1.626804 2.378980 
1 1 1    8    7   17 o   18.706   2.4226   49.197   12.118   46.989   17.431   51.263   16.858   18.000   3.6611   18.885   3.3841 -0.8852501 4.985528 
1 1 1    8    7   18 o   21.130   2.5943   62.855   14.695   70.612   20.879   55.239   20.687   22.169   3.5598   19.436   4.0196 2.733126 5.369304 
1 1 1    8    7   19 o   33.228   1.6349  152.166   14.876  156.186   23.158  149.341   19.410   33.415   2.5501   32.766   2.1757 0.6492615 3.352057 
1 1 1    8    7   20 o   24.761   2.3276   86.113   15.597   91.542   19.305   75.908   26.468   25.391   2.8245   22.508   4.4520 2.882521 5.272405 
1 1 1    8    7   21 o   34.911   1.5772  168.750   15.078  191.674   22.792  150.910   20.106   36.925   2.2651   32.752   2.2556 4.172607 3.196603 
1 1 1    8    7   22 o   47.739   1.2060  315.079   15.765  345.523   22.665  286.542   21.944   49.777   1.6628   45.275   1.7700 4.501846 2.428487 
1 1 1    8    7   23 o   13.232   3.3818   27.604   12.300   50.537   20.243   14.182   15.486   17.416   4.2760   10.322   3.9396 7.094461 5.814145 
1 1 1    8    7   24 o   6.4011   2.9421  -5.7413   11.813  -0.1958   19.870  -8.7725   14.691   8.8378   3.9634   6.8770   3.2025 1.960810 5.095562 
1 1 1    8    7   25 o   8.6453   3.3820   9.7589   11.618   6.1619   16.134   13.633   16.745   8.7686   3.7584   9.9243   4.0013 -1.155715 5.489660 
1 1 1    8    8    0 o   4.9525   3.1886   0.0064   9.9551   0.0064   9.9551   0.0064   9.9551   4.9525   3.1886   4.9525   3.1886 0.000000 0.000000 
1 1 1    8    8    1 o   65.695   1.0584  591.199   19.040  503.849   34.570  629.232   22.811   60.608   2.0830   67.770   1.2292 -7.162548 2.418598 
1 1 1    8    8    2 o   42.367   0.9586  245.856   11.122  273.688   19.526  232.491   13.531   44.684   1.5958   41.194   1.1995 3.490231 1.996310 
1 1 1    8    8    3 o   23.721   1.3633   77.366   8.8184   53.221   16.332   87.302   10.477   19.421   3.1812   25.191   1.5260 -5.770853 3.528249 
1 1 1    8    8    4 o   66.476   0.9051  605.306   16.477  586.154   27.195  616.415   20.711   65.391   1.5187   67.076   1.1276 -1.684486 1.891540 
1 1 1    8    8    5 o  172.177   1.6103  4064.89   75.924  4141.45  109.684  3994.47  105.202  173.656   2.3066  170.559   2.2525 3.097443 3.223951 
1 1 1    8    8    6 o   46.328   0.7681  293.980   9.7448  274.816   15.252  307.199   12.668   44.779   1.2438   47.353   0.9769 -2.573742 1.581609 
1 1 1    8    8    7 f   94.908   0.9427  1234.04   24.501  1245.34   35.196  1223.43   34.128   95.311   1.3485   94.472   1.3192 0.8395996 1.886514 
1 1 1    8    8    8 o  110.106   1.0110  1661.10   30.484  1712.89   43.695  1611.99   42.549  111.769   1.4277  108.426   1.4331 3.342255 2.022847 
1 1 1    8    8    9 o  106.724   1.0628  1560.82   31.061  1541.85   45.988  1576.74   42.120  106.019   1.5841  107.230   1.4345 -1.210724 2.137039 
1 1 1    8    8   10 o   51.251   0.8707  359.856   12.220  355.724   17.362  363.911   17.202   50.939   1.2447   51.523   1.2192 -0.5841408 1.742322 
1 1 1    8    8   11 o   62.186   1.1059  530.047   18.833  549.411   32.403  520.169   23.143   63.247   1.8709   61.585   1.3723 1.661785 2.320248 
1 1 1    8    8   12 o   39.362   1.0948  212.386   11.800  214.055   16.027  210.411   17.438   39.496   1.4818   39.150   1.6266 0.3464775 2.200379 
1 1 1    8    8   13 f   62.033   0.9155  527.377   15.552  510.904   22.055  543.668   21.932   61.025   1.3198   62.956   1.2722 -1.930767 1.833141 
1 1 1    8    8   14 o   42.878   1.3243  252.303   15.549  257.393   22.914  247.957   21.170   43.252   1.9347   42.463   1.8206 0.7883110 2.656606 
1 1 1    8    8   15 o   33.563   1.3479  154.655   12.388  176.074   17.271  131.957   17.779   35.778   1.7629   30.870   2.1160 4.907354 2.754118 
1 1 1    8    8   16 o   47.659   1.1927  311.759   15.565  327.224   20.134  288.784   24.540   48.792   1.5069   45.775   1.9577 3.016705 2.470552 
1 1 1    8    8   17 o   24.767   1.9765   85.150   13.293   90.745   17.016   76.390   21.294   25.478   2.4700   23.112   3.4720 2.365532 4.260939 
1 1 1    8    8   18 o   52.498   1.1722  378.522   16.851  369.011   21.776  392.716   26.603   51.777   1.5359   53.357   1.8207 -1.579895 2.382029 
1 1 1    8    8   19 f   18.539   2.5100   48.716   12.415   64.203   17.202   31.876   17.937   21.178   3.0545   14.700   4.2289 6.478051 5.216651 
1 1 1    8    8   20 o   25.412   1.9329   90.182   13.349  102.018   19.968   80.617   17.951   26.776   2.7630   23.755   2.8142 3.021023 3.943865 
1 1 1    8    8   21 o   14.470   3.2777   31.425   12.686   39.440   17.785   23.122   18.101   15.972   4.0582   12.635   4.3357 3.336879 5.938663 
1 1 1    8    8   22 o   11.488   3.4332   20.237   11.632   11.854   17.783   26.506   15.378   10.392   4.1466   12.964   3.9639 -2.572299 5.736432 
1 1 1    8    8   23 o   38.090   1.4033  203.086   14.637  208.959   19.313  195.161   22.437   38.337   1.8397   36.662   2.2457 1.674393 2.903054 
1 1 1    8    8   24 o   10.288   3.4963   16.912   11.768   11.095   19.069   20.489   14.955   9.9197   4.1613   11.136   3.9332 -1.216311 5.725962 
1 1 1    8    9    0 o  128.561   1.4053  2265.04   49.460  2265.04   49.460  2265.04   49.460  128.561   1.4053  128.561   1.4053 0.000000 0.000000 
1 1 1    8    9    1 o   74.058   0.8026  751.214   16.276  743.989   25.317  756.305   21.250   73.682   1.2547   74.299   1.0445 -0.6175690 1.632573 
1 1 1    8    9    2 o   22.074   1.2586   66.996   7.5764  107.994   16.271   55.646   8.5612   27.966   2.1409   20.084   1.5691 7.881382 2.654382 
1 1 1    8    9    3 o   11.431   2.3243   18.601   7.0278   37.742   15.194   13.392   7.9266   16.232   3.5198   9.7613   2.8122 6.470428 4.505209 
1 1 1    8    9    4 o   90.156   0.9244  1113.49   22.822  1050.33   36.791  1153.00   29.098   87.518   1.5352   91.726   1.1584 -4.208191 1.923192 
1 1 1    8    9    5 f   45.970   1.0113  289.535   12.730  361.107   21.937  253.202   15.630   51.313   1.5612   42.978   1.3281 8.335396 2.049728 
1 1 1    8    9    6 o   60.529   0.8243  501.875   13.663  493.632   25.065  505.360   16.297   59.995   1.5257   60.733   0.9799 -0.7376823 1.813275 
1 1 1    8    9    7 o   64.141   0.8435  563.578   14.816  539.745   26.467  574.456   17.880   62.732   1.5407   64.750   1.0084 -2.017776 1.841381 
1 1 1    8    9    8 o   27.160   1.1508  101.102   8.5590   94.178   12.530  107.157   11.719   26.137   1.7610   27.908   1.5394 -1.771109 2.338982 
1 1 1    8    9    9 f   31.364   1.1453  134.835   9.8369  126.026   15.172  141.224   12.921   30.241   1.8409   32.087   1.4705 -1.846657 2.356101 
1 1 1    8    9   10 o   42.535   0.9279  247.907   10.808  242.163   15.550  253.274   15.032   42.021   1.3514   42.978   1.2772 -0.9569511 1.859475 
1 1 1    8    9   11 o   53.562   0.9566  393.160   14.031  396.625   21.548  390.609   18.488   53.764   1.4636   53.369   1.2650 0.3948631 1.934525 
1 1 1    8    9   12 o   21.175   1.7904   62.047   10.284   65.357   14.318   58.520   14.780   21.637   2.4602   20.415   2.7109 1.222799 3.660880 
1 1 1    8    9   13 o   54.200   1.1663  402.915   17.311  420.045   25.474  388.219   23.595   55.287   1.6826   53.159   1.6209 2.128799 2.336357 
1 1 1    8    9   14 o   69.394   1.0437  660.377   19.834  666.646   26.194  651.954   30.363   69.682   1.3728   68.874   1.6099 0.8076401 2.115707 
1 1 1    8    9   15 o   72.333   1.0203  717.603   20.210  744.362   28.275  689.650   28.899   73.613   1.4027   70.841   1.4897 2.771713 2.046171 
1 1 1    8    9   16 o   56.591   1.0527  439.397   16.314  439.426   24.793  439.375   21.664   56.515   1.6021   56.544   1.3991 -0.2900314E-01 2.126996 
1 1 1    8    9   17 o   42.629   1.2638  249.669   14.753  231.792   22.773  262.597   19.366   40.964   2.0301   43.671   1.6194 -2.707016 2.596887 
1 1 1    8    9   18 o   37.000   1.2899  188.245   13.069  222.179   19.378  159.932   17.701   40.122   1.7638   33.965   1.9109 6.156879 2.600447 
1 1 1    8    9   19 o   14.961   3.0150   32.629   11.926   35.608   17.340   29.956   16.428   15.426   4.0525   14.204   4.0345 1.221786 5.718341 
1 1 1    8    9   20 o   23.611   1.9297   78.148   12.367   62.337   19.182   89.396   16.179   20.497   3.5458   25.117   2.3808 -4.619274 4.270947 
1 1 1    8    9   21 o   16.787   3.0258   42.003   13.397   60.009   18.224   20.828   19.763   19.915   3.4678   12.208   4.4936 7.706474 5.676064 
1 1 1    8    9   22 o   20.017   2.3633   58.519   12.704   98.969   18.102   19.262   17.833   25.947   2.5820   11.448   4.2581 14.49935 4.979748 
1 1 1    8    9   23 o   13.062   3.2813   27.496   11.721   47.800   16.025   4.1329   17.189   17.154   3.5291   8.8546   3.8377 8.299938 5.213686 
1 1 1    8    9   24 o   11.834   3.5827   23.680   12.606  -7.2622   22.953   37.045   15.085   8.5786   3.9977   14.696   3.7394 -6.117774 5.473961 
1 1 1    8   10    0 f   18.920   1.7554   50.317   8.9150   50.317   8.9150   50.317   8.9150   18.920   1.7554   18.920   1.7554 0.000000 0.000000 
1 1 1    8   10    1 o   37.645   0.7822  194.112   8.0633  182.086   12.470  202.752   10.570   36.448   1.2494   38.468   1.0034 -2.020149 1.602481 
1 1 1    8   10    2 o   42.272   0.8549  244.783   9.8956  270.125   20.278  236.862   11.337   44.374   1.6688   41.578   0.9957 2.796043 1.943277 
1 1 1    8   10    3 o   78.726   0.9529  849.133   20.543  815.487   33.867  868.719   25.840   77.106   1.6040   79.615   1.1852 -2.509499 1.994395 
1 1 1    8   10    4 o   57.092   0.8143  446.501   12.731  478.563   24.628  434.808   14.873   59.072   1.5225   56.334   0.9641 2.737164 1.802090 
1 1 1    8   10    5 o   65.314   0.9142  584.439   16.351  587.158   27.864  583.011   20.193   65.428   1.5552   65.223   1.1306 0.2040863 1.922736 
1 1 1    8   10    6 o   99.133   0.9727  1346.52   26.406  1252.65   41.401  1410.90   34.285   95.558   1.5822  101.453   1.2341 -5.894913 2.006561 
1 1 1    8   10    7 o   70.872   0.7823  688.052   15.183  682.266   23.762  692.045   19.738   70.547   1.2300   71.065   1.0143 -0.5177841 1.594277 
1 1 1    8   10    8 o   18.806   1.2922   48.721   6.6141   50.059   11.706   48.093   8.0163   18.939   2.3047   18.655   1.5843 0.2847824 2.796666 
1 1 1    8   10    9 o   42.265   1.1194  244.864   12.955  238.515   17.773  252.063   18.925   41.690   1.5568   42.854   1.6127 -1.164150 2.241498 
1 1 1    8   10   10 o   51.102   0.9292  357.869   13.003  345.363   19.352  368.161   17.556   50.172   1.4086   51.814   1.2374 -1.641674 1.874880 
1 1 1    8   10   11 o   14.087   2.4866   28.163   9.2415   30.183   13.387   26.324   12.774   14.464   3.4316   13.516   3.4420 0.9475088 4.860361 
1 1 1    8   10   12 o   54.864   0.9266  412.586   13.921  403.866   20.039  420.721   19.355   54.247   1.3490   55.374   1.2764 -1.127308 1.857155 
1 1 1    8   10   13 o   31.323   1.5382  134.801   13.194  138.913   21.296  132.240   16.809   31.616   2.4797   30.925   1.9955 0.6913395 3.182888 
1 1 1    8   10   14 o   29.629   1.6201  121.069   13.095  130.356   16.713  106.303   21.074   30.691   1.9995   27.543   2.8346 3.148216 3.468852 
1 1 1    8   10   15 o   32.815   1.3509  147.930   12.139  147.284   17.329  148.553   17.009   32.627   1.9485   32.775   1.9033 -0.1485634 2.723840 
1 1 1    8   10   16 o   29.477   1.5427  119.876   12.409  122.457   18.777  117.874   16.535   29.651   2.3313   29.137   2.0862 0.5136108 3.128478 
1 1 1    8   10   17 o   24.674   2.1684   84.944   14.502  114.496   23.634   67.098   18.366   28.432   3.0851   21.653   3.1933 6.778572 4.440133 
1 1 1    8   10   18 o   56.384   1.0683  436.827   16.495  432.167   23.078  441.693   23.586   55.985   1.5053   56.594   1.5219 -0.6092682 2.140605 
1 1 1    8   10   19 o   24.590   1.9783   84.675   13.208   94.686   19.516   76.213   17.942   25.732   2.8156   23.022   2.9111 2.710188 4.049944 
1 1 1    8   10   20 o   52.469   1.1282  379.818   16.210  379.339   23.180  380.275   22.677   52.226   1.6209   52.309   1.5831 -0.8307648E-01 2.265701 
1 1 1    8   10   21 o   20.777   2.2565   62.326   12.632   93.548   18.124   32.837   17.614   25.263   2.6599   14.201   4.2205 11.06223 4.988768 
1 1 1    8   10   22 o   20.386   2.3934   61.384   13.107   94.499   21.235   41.005   16.659   24.676   3.2193   15.687   3.8958 8.989231 5.053809 
1 1 1    8   10   23 f   7.5804   3.1668   4.4326   10.976   6.1831   15.943   2.8555   15.133   8.8092   3.7549   8.2185   3.5813 0.5906267 5.188908 
1 1 1    8   11    0 o   43.446   0.9755  258.919   11.592  258.919   11.592  258.919   11.592   43.446   0.9755   43.446   0.9755 0.000000 0.000000 
1 1 1    8   11    1 o   34.729   0.8044  165.214   7.6495  154.536   11.879  172.779   9.9983   33.575   1.2921   35.509   1.0282 -1.934635 1.651287 
1 1 1    8   11    2 o   86.774   1.0002  1031.72   23.766  962.815   37.394  1078.42   30.782   83.773   1.6301   88.695   1.2674 -4.922134 2.064803 
1 1 1    8   11    3 o  113.198   1.0814  1756.01   33.520  1795.29   52.685  1729.30   43.448  114.383   1.6820  112.297   1.4129 2.085869 2.196708 
1 1 1    8   11    4 o   6.7760   2.7347   2.7285   7.8301  -9.5982   15.820   6.7282   9.0113   7.6281   3.4674   8.0785   3.0225 -0.4504304 4.599843 
1 1 1    8   11    5 o   47.097   0.9317  303.926   12.016  325.354   23.075  295.955   14.074   48.686   1.7308   46.469   1.1061 2.217358 2.054049 
1 1 1    8   11    6 o   19.019   1.2708   49.816   6.5804   50.039   11.345   49.703   8.0780   18.947   2.2292   18.968   1.5693 -0.2064514E-01 2.726212 
1 1 1    8   11    7 o   50.138   0.8533  344.423   11.715  313.395   16.526  375.770   16.611   47.808   1.2623   52.355   1.1586 -4.547836 1.713436 
1 1 1    8   11    8 o   65.012   0.9545  579.216   16.992  602.267   28.635  566.688   21.110   66.241   1.5787   64.288   1.1992 1.952583 1.982452 
1 1 1    8   11    9 f   46.554   1.2419  297.241   15.832  159.984   52.287  311.094   16.612   33.082   5.9925   47.624   1.2738 -14.54257 6.126394 
1 1 1    8   11   10 o   59.923   1.0039  492.242   16.473  457.703   26.827  513.148   20.871   57.717   1.6974   61.162   1.2461 -3.445244 2.105698 
1 1 1    8   11   11 o   74.681   0.9355  764.529   19.131  740.090   27.428  787.682   26.697   73.429   1.3641   75.764   1.2868 -2.334595 1.875216 
1 1 1    8   11   12 o   28.342   1.3825  110.295   10.730  113.576   15.716  107.432   14.685   28.645   2.0165   27.868   1.9364 0.7773991 2.795681 
1 1 1    8   11   13 o   24.557   1.9491   83.606   12.999   86.467   22.406   82.154   15.960   24.674   3.4072   24.257   2.4355 0.4161739 4.188152 
1 1 1    8   11   14 o   60.002   1.1658  494.172   19.155  504.283   23.512  474.220   33.029   60.576   1.4174   58.622   2.0575 1.953663 2.498495 
1 1 1    8   11   15 o   16.135   2.6529   37.066   11.313   20.286   16.200   53.040   15.807   12.264   4.1025   19.264   3.1017 -6.999668 5.143039 
1 1 1    8   11   16 o   43.308   1.1924  257.676   14.141  256.075   20.179  259.221   19.822   43.095   1.7099   43.366   1.6692 -0.2710838 2.389556 
1 1 1    8   11   17 o   39.975   1.5679  220.402   17.163  231.467   25.715  211.513   23.048   40.728   2.3152   38.973   2.1682 1.755035 3.171982 
1 1 1    8   11   18 o   24.169   1.7045   81.296   11.209   85.019   17.458   78.685   14.620   24.447   2.6502   23.623   2.2888 0.8242512 3.501780 
1 1 1    8   11   19 o   12.789   3.1517   24.496   10.967   37.043   17.007   15.565   14.348   15.499   3.9849   10.784   3.8479 4.715464 5.539487 
1 1 1    8   11   20 f   19.640   2.1254   55.240   11.248   71.985   17.685   43.862   14.577   22.001   3.0146   16.984   3.2529 5.017725 4.434984 
1 1 1    8   11   21 o   14.443   3.1109   32.469   11.940   38.522   16.721   26.170   17.056   15.252   3.9663   12.612   4.2096 2.639984 5.783780 
1 1 1    8   11   22 o   35.205   1.6969  176.293   16.359  194.306   26.044  164.555   21.024   35.916   2.6672   33.421   2.3115 2.494881 3.529409 
1 1 1    8   11   23 o   8.7680   3.3732   10.537   11.410   19.413   15.949   1.2323   16.330   10.839   4.0278   8.1831   3.6365 2.655632 5.426550 
1 1 1    8   12    0 o   5.5163   3.2869   4.4553   8.7301   4.4553   8.7301   4.4553   8.7301   5.5163   3.2869   5.5163   3.2869 0.000000 0.000000 
1 1 1    8   12    1 f  107.532   1.1020  1584.85   32.451  1611.21   61.817  1574.83   38.127  108.276   2.0849  107.169   1.2992 1.106674 2.456572 
1 1 1    8   12    2 o   25.047   1.1173   85.991   7.6632   81.210   16.738   87.259   8.6196   24.150   2.5705   25.228   1.2477 -1.077463 2.857314 
1 1 1    8   12    3 o   45.476   0.9758  283.395   12.152  263.536   21.318  292.953   14.790   43.811   1.7770   46.228   1.1684 -2.417397 2.126649 
1 1 1    8   12    4 o   34.742   1.0796  165.435   10.270  167.502   19.464  164.637   12.090   34.850   2.0486   34.650   1.2742 0.1993675 2.412539 
1 1 1    8   12    5 o   51.581   1.1143  364.725   15.739  354.569   25.206  371.216   20.150   50.808   1.8117   52.019   1.4146 -1.211319 2.298507 
1 1 1    8   12    6 o   39.248   1.0872  211.162   11.685  231.639   22.255  203.368   13.730   41.049   1.9798   38.507   1.3021 2.542648 2.369616 
1 1 1    8   12    7 o   39.673   0.9619  215.722   10.450  224.378   15.646  208.751   14.041   40.438   1.4129   39.010   1.3144 1.427856 1.929776 
1 1 1    8   12    8 o   60.138   0.8525  495.602   14.039  491.881   23.961  497.548   17.325   59.861   1.4617   60.242   1.0502 -0.3809319 1.799861 
1 1 1    8   12    9 o   37.267   0.9303  190.364   9.4935  195.578   18.028  188.363   11.167   37.720   1.7454   37.062   1.1003 0.6583405 2.063282 
1 1 1    8   12   10 o   26.811   1.3386   98.668   9.8278   66.092   14.153  129.005   13.658   21.751   2.4170   30.595   1.6362 -8.843809 2.918747 
1 1 1    8   12   11 o   9.3090   3.2165   10.944   9.9701   27.844   14.730  -3.3453   13.544   13.880   3.7754   7.6325   3.3552 6.247388 5.050873 
1 1 1    8   12   12 o   54.765   1.1235  411.536   16.849  453.167   29.522  391.423   20.519   57.356   1.8796   53.377   1.4038 3.978817 2.346002 
1 1 1    8   12   13 o   19.884   2.1110   55.185   11.318   73.219   16.452   38.981   15.595   22.820   2.6841   16.372   3.5784 6.447414 4.473203 
1 1 1    8   12   14 o   70.677   1.0871  685.635   21.040  708.280   28.533  658.649   31.149   71.765   1.4519   69.162   1.6447 2.603149 2.193868 
1 1 1    8   12   15 o   56.402   1.1228  436.897   17.341  417.199   22.960  463.052   26.457   55.045   1.5232   57.959   1.6670 -2.913963 2.258106 
1 1 1    8   12   16 f   53.582   1.0799  394.464   15.846  403.536   22.506  385.546   22.314   54.103   1.5191   52.878   1.5410 1.224957 2.163882 
1 1 1    8   12   17 o   24.807   2.0783   86.249   13.988   74.373   19.476   98.900   20.102   22.649   3.2318   26.329   2.8327 -3.679220 4.297546 
1 1 1    8   12   18 o   9.3225   3.3828   10.888   11.143   15.805   19.356   8.4506   13.628   11.517   4.4023   9.3043   3.6559 2.212227 5.722447 
1 1 1    8   12   19 o   12.538   3.1538   23.941   10.818   54.724   16.899   2.5634   14.082   18.995   3.3724   8.3236   3.5380 10.67125 4.887784 
1 1 1    8   12   20 o   9.2723   3.3293   11.984   10.757   0.5808   16.384   20.623   14.262   8.4309   3.6986   11.480   3.8492 -3.049352 5.338200 
1 1 1    8   12   21 o   15.267   2.7942   35.897   11.251   42.261   16.096   29.817   15.733   15.934   3.7510   13.212   4.0030 2.722412 5.485786 
1 1 1    8   12   22 o   5.7426   2.7462 -12.9424   12.202 -15.1042   18.409 -11.2481   16.297   7.1450   3.4046   6.9688   3.2858 0.1762085 4.731592 
1 1 1    8   13    0 o   88.119   1.2208  1064.57   29.445  1064.57   29.445  1064.57   29.445   88.119   1.2208   88.119   1.2208 0.000000 0.000000 
1 1 1    8   13    1 o  103.486   1.1514  1468.29   32.628  1393.46   41.782  1585.25   52.236  100.764   1.5142  107.428   1.7757 -6.663811 2.333656 
1 1 1    8   13    2 o   59.688   0.9817  488.277   16.046  466.374   27.013  500.218   19.946   58.276   1.6928   60.398   1.2060 -2.121777 2.078431 
1 1 1    8   13    3 o   57.852   0.9696  458.700   15.361  445.587   27.114  464.898   18.641   56.955   1.7385   58.228   1.1691 -1.272671 2.095018 
1 1 1    8   13    4 o   53.497   0.8583  392.163   12.573  353.400   24.004  406.818   14.760   50.721   1.7282   54.480   0.9894 -3.759007 1.991397 
1 1 1    8   13    5 o   66.113   0.9193  599.050   16.644  562.415   34.030  610.570   19.082   63.950   1.9433   66.736   1.0442 -2.786003 2.206018 
1 1 1    8   13    6 o   11.280   2.6438   18.271   8.0239   34.759   22.494   15.867   8.5889   15.669   4.7946   10.545   2.8890 5.124508 5.597769 
1 1 1    8   13    7 o   59.163   0.9354  479.802   15.154  452.584   35.405  485.906   16.767   57.302   2.2563   59.531   1.0286 -2.229095 2.479727 
1 1 1    8   13    8 f   22.726   1.7909   71.468   11.055   61.468   21.417   75.101   12.907   20.641   3.9326   23.264   2.0470 -2.622290 4.433456 
1 1 1    8   13    9 o   20.213   1.8413   56.683   10.080   42.332   15.962   66.202   13.000   17.122   3.5219   21.799   2.2082 -4.677090 4.156909 
1 1 1    8   13   10 o   9.2625   2.7330   12.078   7.4076   23.441   14.378   7.9717   8.6430   12.834   3.8128   8.2682   2.9825 4.565799 4.840725 
1 1 1    8   13   11 o   20.953   1.8537   60.951   10.526   54.709   15.991   65.723   13.983   19.597   3.0815   21.669   2.3966 -2.071720 3.903811 
1 1 1    8   13   12 o   32.881   1.5472  148.724   13.930  132.004   25.283  156.012   16.693   30.627   3.0555   33.598   1.8212 -2.971445 3.557039 
1 1 1    8   13   13 o   22.429   1.8467   69.851   11.241   86.259   16.076   54.152   15.725   24.834   2.3936   19.471   3.0493 5.362764 3.876595 
1 1 1    8   13   14 o   59.766   1.1836  490.794   19.370  491.277   24.460  489.981   31.722   59.733   1.4954   59.539   1.9457 0.1941757 2.453918 
1 1 1    8   13   15 o   15.289   2.9769   33.918   12.015   47.582   16.183   17.140   17.933   18.057   3.3975   11.779   4.2889 6.278018 5.471527 
1 1 1    8   13   16 o   50.093   1.1523  345.389   15.806  358.005   21.662  331.024   23.114   50.890   1.5545   48.881   1.7269 2.009762 2.323443 
1 1 1    8   13   17 o   19.659   2.2389   54.950   11.837   63.510   18.060   48.503   15.674   20.743   3.2893   18.076   3.2876 2.666952 4.650515 
1 1 1    8   13   18 o   25.116   1.7278   88.624   11.811   77.734   16.446  100.224   16.973   23.122   2.6450   26.431   2.3703 -3.308193 3.551629 
1 1 1    8   13   19 o   6.6747   2.9626  -1.9594   10.807  -1.8938   17.276  -2.0016   13.852   8.3520   3.7241   7.5246   3.3463 0.8274097 5.006658 
1 1 1    8   13   20 o   10.739   3.3479   18.363   10.909   24.051   15.824   13.212   15.060   12.012   4.0545   9.8943   3.8560 2.117254 5.595325 
1 1 1    8   13   21 o   9.5204   3.4011   13.880   11.213   24.632   19.049   8.1805   13.870   11.894   4.4055   8.7403   3.5973 3.154003 5.687562 
1 1 1    8   14    0 f   4.6108   2.9356   0.7622   8.1531   0.7622   8.1531   0.7622   8.1531   4.6108   2.9356   4.6108   2.9356 0.000000 0.000000 
1 1 1    8   14    1 o  101.930   1.1243  1424.79   31.382  1615.37   54.958  1332.58   38.227  108.385   1.8517   98.530   1.4168 9.855400 2.331563 
1 1 1    8   14    2 o   72.127   1.1783  713.556   23.273  705.264   34.794  720.269   31.306   71.627   1.7739   72.415   1.5788 -0.7880325 2.374722 
1 1 1    8   14    3 o   26.051   1.2034   93.099   8.5848   76.841   19.664   96.927   9.5422   23.335   3.1586   26.577   1.3111 -3.242081 3.419914 
1 1 1    8   14    4 o   31.824   1.0444  138.874   9.1013  116.493   20.559  144.329   10.150   28.919   2.6248   32.439   1.1426 -3.519867 2.862743 
1 1 1    8   14    5 o   47.573   0.9033  310.223   11.767  309.422   24.797  310.456   13.368   47.418   1.9097   47.583   1.0259 -0.1648674 2.167814 
1 1 1    8   14    6 o   32.742   1.0807  147.036   9.6896  163.981   27.040  144.540   10.379   34.275   2.9084   32.458   1.1677 1.816738 3.134070 
1 1 1    8   14    7 o   19.597   1.5759   53.122   8.3852   68.662   21.504   50.335   9.1061   21.873   3.7236   19.047   1.7660 2.826199 4.121132 
1 1 1    8   14    8 o   51.942   0.9311  369.937   13.243  340.451   27.126  379.164   15.174   49.700   1.9932   52.575   1.0540 -2.874813 2.254679 
1 1 1    8   14    9 o   20.884   1.4595   60.231   8.2942   65.039   17.215   58.778   9.4653   21.420   3.0185   20.598   1.6931 0.8224487 3.460934 
1 1 1    8   14   10 o   25.552   1.4888   90.078   10.372   97.847   15.642   83.980   13.857   26.526   2.1724   24.579   2.0783 1.947660 3.006493 
1 1 1    8   14   11 o   23.342   1.4885   75.244   9.4647   49.590   30.611   77.955   9.9524   18.326   5.5905   23.754   1.5383 -5.428204 5.798299 
1 1 1    8   14   12 o   36.412   1.4160  182.373   14.119  196.549   27.239  177.165   16.510   37.489   2.6708   35.854   1.6816 1.634853 3.156121 
1 1 1    8   14   13 o   15.397   2.6850   33.995   10.909   44.437   15.994   24.911   14.918   17.451   3.4692   13.104   3.8816 4.346157 5.205961 
1 1 1    8   14   14 o   34.448   1.3916  163.506   13.127  156.575   17.607  172.182   19.699   33.561   1.9239   35.162   2.0548 -1.601418 2.814872 
1 1 1    8   14   15 o   6.2728   2.8238  -4.5103   10.193   3.7218   15.189 -11.2566   13.750   8.9441   3.7300   6.6813   3.1070 2.262778 4.854518 
1 1 1    8   14   16 o   31.009   1.6167  133.904   13.681  124.878   16.499  153.765   24.475   29.797   2.0343   32.730   2.7564 -2.933216 3.425778 
1 1 1    8   14   17 o   19.483   1.9474   53.924   10.250   46.465   15.600   59.590   13.597   17.454   3.3860   20.262   2.5039 -2.807959 4.211289 
1 1 1    8   14   18 o   17.880   2.2628   46.605   10.831   64.706   17.473   35.312   13.802   20.539   3.2121   14.952   3.4422 5.586380 4.708078 
1 1 1    8   14   19 o   11.494   3.3842   21.300   11.368   27.512   18.081   17.238   14.620   12.673   4.3337   10.608   3.8709 2.064618 5.810707 
1 1 1    8   14   20 o   15.763   2.7814   38.595   11.567   47.290   15.776   28.489   17.009   16.919   3.5198   12.672   4.2026 4.246943 5.481874 
1 1 1    8   15    0 o   34.714   1.2058  165.766   11.430  165.766   11.430  165.766   11.430   34.714   1.2058   34.714   1.2058 0.000000 0.000000 
1 1 1    8   15    1 o   36.380   0.8698  181.421   8.6652  177.561   14.201  183.711   10.937   35.955   1.4424   36.597   1.0913 -0.6417885 1.808731 
1 1 1    8   15    2 o   19.920   1.3482   54.730   7.3108   61.382   12.223   51.025   9.1223   20.991   2.1573   19.180   1.7563 1.810347 2.781804 
1 1 1    8   15    3 o   19.724   1.6213   53.840   8.6793   54.413   21.355   53.727   9.4993   19.325   4.1587   19.681   1.7819 -0.3562927 4.524355 
1 1 1    8   15    4 o   49.263   0.9513  332.758   12.833  328.155   31.800  333.653   14.026   48.734   2.3829   49.322   1.0385 -0.5881615 2.599400 
1 1 1    8   15    5 o   47.941   0.9616  315.172   12.624  298.421   31.567  318.361   13.774   46.378   2.4948   48.176   1.0441 -1.797836 2.704423 
1 1 1    8   15    6 o   38.719   1.1553  205.744   12.249  196.228   24.343  208.971   14.174   37.596   2.3767   39.006   1.3270 -1.409824 2.722100 
1 1 1    8   15    7 o   38.622   1.0065  204.619   10.645  174.747   23.815  212.078   11.900   35.443   2.4692   39.312   1.1054 -3.869247 2.705319 
1 1 1    8   15    8 o   45.461   1.0808  283.611   13.455  229.940   25.260  304.869   15.897   40.713   2.2748   47.117   1.2321 -6.404610 2.587084 
1 1 1    8   15    9 o   29.248   1.2748  117.521   10.210  121.971   34.389  117.090   10.692   28.951   4.4828   29.189   1.3377 -0.2386322 4.678077 
1 1 1    8   15   10 o   48.218   1.0110  319.079   13.349  286.758   28.622  328.064   15.091   45.432   2.3082   48.879   1.1274 -3.446503 2.568859 
1 1 1    8   15   11 f   10.624   3.7272   14.396   13.412   14.243   25.892   14.452   15.680   12.619   5.0136   10.992   4.0090 1.627794 6.419365 
1 1 1    8   15   12 o   28.791   1.4173  114.180   11.174  113.538   16.261  114.754   15.380   28.534   2.0957   28.718   1.9676 -0.1837769 2.874652 
1 1 1    8   15   13 o   21.517   1.8563   64.656   10.831   62.433   15.578   66.737   15.068   20.885   2.7939   21.667   2.5910 -0.7819614 3.810435 
1 1 1    8   15   14 o   13.107   2.9213   25.343   10.217   16.749   15.100   32.601   13.876   11.184   3.9520   14.743   3.4910 -3.559375 5.273062 
1 1 1    8   15   15 o   16.723   2.2975   40.172   10.243   53.232   16.167   31.414   13.239   18.907   3.2390   14.383   3.4129 4.524554 4.705167 
1 1 1    8   15   16 o   21.314   2.7283   66.759   15.559   0.0000   0.0000   66.759   15.559  ?   ?    21.314   2.7283 0.000000 2.728336 
1 1 1    8   15   17 o   28.770   1.5623  116.498   12.262  142.609   20.214  101.295   15.424   31.300   2.3761   26.504   2.1435 4.795603 3.200093 
1 1 1    8   15   18 o   19.408   2.0337   54.766   10.648   75.995   17.430   42.128   13.449   22.249   2.9322   16.374   3.1131 5.875038 4.276648 
1 1 1    8   15   19 o   6.6516   2.9287  -0.2277   10.355   14.103   15.216 -12.5905   14.133   9.9108   3.8722   6.3287   3.0064 3.582034 4.902286 
1 1 1    8   16    0 o   67.391   1.3149  623.505   24.244  623.505   24.244  623.505   24.244   67.391   1.3149   67.391   1.3149 0.000000 0.000000 
1 1 1    8   16    1 o   9.9808   2.5330   14.328   6.9346   26.909   11.797   7.6862   8.5717   13.625   3.2141   8.1720   2.9667 5.452636 4.373990 
1 1 1    8   16    2 o   70.667   0.8789  684.716   17.008  682.297   27.188  686.271   21.801   70.464   1.4090   70.715   1.1258 -0.2513962 1.803575 
1 1 1    8   16    3 o   66.723   0.9886  610.670   18.063  604.108   42.208  612.141   19.985   66.089   2.3322   66.790   1.0927 -0.7009811 2.575532 
1 1 1    8   16    4 o   60.353   0.9524  499.589   15.741  439.387   35.619  514.199   17.547   56.361   2.3079   61.218   1.0467 -4.856903 2.534185 
1 1 1    8   16    5 o   80.865   1.0248  897.194   22.692  826.756   42.627  925.049   26.806   77.397   2.0112   82.081   1.1926 -4.683464 2.338251 
1 1 1    8   16    6 o   76.466   1.1643  802.805   24.380  751.544   38.499  837.125   31.501   73.812   1.9047   78.017   1.4745 -4.205818 2.408756 
1 1 1    8   16    7 o   43.871   1.2222  264.394   14.683  249.775   25.926  271.297   17.815   42.420   2.2399   44.408   1.4650 -1.988529 2.676402 
1 1 1    8   16    8 f   44.263   0.9976  268.887   12.091  261.656   28.166  270.521   13.388   43.361   2.3812   44.386   1.1015 -1.024773 2.623619 
1 1 1    8   16    9 o   46.984   1.0413  303.113   13.397   68.524   23.563  415.182   16.286   21.567   4.1402   54.982   1.0817 -33.41447 4.279184 
1 1 1    8   16   10 o   30.835   1.1846  130.729   10.002   46.540   18.320  166.480   11.938   17.722   3.8824   34.788   1.2532 -17.06586 4.079664 
1 1 1    8   16   11 o   50.754   0.9276  353.771   12.892  368.632   24.421  348.029   15.180   51.614   1.7278   50.308   1.1019 1.305607 2.049299 
1 1 1    8   16   12 o   28.863   1.2425  114.826   9.8206   57.744   24.996  125.245   10.679   19.257   4.7659   30.135   1.2941 -10.87831 4.938481 
1 1 1    8   16   13 o   12.095   3.0968   21.843   10.301   7.0738   13.622   41.569   15.743   9.0497   3.6229   16.586   3.5718 -7.536389 5.087513 
1 1 1    8   16   14 o   19.024   1.8384   51.139   9.4577   57.965   14.015   45.431   12.816   19.960   2.6280   17.586   2.7515 2.374094 3.804862 
1 1 1    8   16   15 o   16.524   2.2123   39.598   9.7589   49.315   15.124   32.667   12.774   17.982   3.1883   14.518   3.2892 3.463254 4.580821 
1 1 1    8   16   16 o   19.048   2.1083   52.667   10.812   31.167   16.445   69.038   14.350   13.631   4.0842   21.622   2.4679 -7.990480 4.771883 
1 1 1    8   16   17 o   8.9650   3.1587   11.810   9.6396   30.098   14.883  -1.4057   12.652   13.319   3.8581   7.1568   3.1894 6.162572 5.005666 
1 1 1    8   16   18 o   15.305   2.9544   37.052   11.934   21.613   14.940   64.273   19.837   11.302   3.9355   19.433   3.8638 -8.130533 5.515182 
1 1 1    8   17    0 o   20.652   1.5377   59.507   8.5851   59.507   8.5851   59.507   8.5851   20.652   1.5377   20.652   1.5377 0.000000 0.000000 
1 1 1    8   17    1 o   22.514   1.2787   69.875   7.8511   64.261   14.938   72.017   9.2285   21.354   2.6088   22.832   1.4841 -1.477676 3.001411 
1 1 1    8   17    2 o   59.143   0.9925  479.977   16.074  492.959   25.248  471.130   20.843   59.846   1.5407   58.550   1.3000 1.295731 2.015851 
1 1 1    8   17    3 o   46.800   0.9878  300.547   12.659  303.208   25.454  299.673   14.592   46.850   1.9841   46.715   1.1407 0.1350555 2.288599 
1 1 1    8   17    4 o   17.732   1.9051   43.903   9.1052   66.912   20.771   38.429   10.130   21.498   3.6593   16.497   2.3055 5.001446 4.325068 
1 1 1    8   17    5 o   47.866   0.9515  314.404   12.471  275.822   27.538  324.358   13.988   44.544   2.2651   48.606   1.0509 -4.061256 2.497021 
1 1 1    8   17    6 o   14.670   2.6456   30.887   10.237   9.8164   20.662   37.742   11.785   11.115   4.4577   16.229   2.7501 -5.113889 5.237721 
1 1 1    8   17    7 o   14.990   2.1523   31.792   8.5817   49.805   19.912   27.683   9.5103   18.303   4.0774   13.869   2.5996 4.433374 4.835621 
1 1 1    8   17    8 o   11.796   2.7246   20.262   8.6235   17.761   21.693   20.732   9.3980   12.387   4.6782   11.912   2.9068 0.4753027 5.507747 
1 1 1    8   17    9 o   16.899   2.0319   40.255   9.2143   1.3374   18.574   52.960   10.612   9.4441   4.0399   19.416   2.0258 -9.972199 4.519322 
1 1 1    8   17   10 o   24.619   1.3758   83.936   9.2377   27.142   15.056  118.226   11.699   13.455   3.8754   29.247   1.4607 -15.79196 4.141571 
1 1 1    8   17   11 o   11.636   2.4028   19.761   7.4028   27.093   12.025   15.287   9.3939   13.431   3.2945   10.237   3.0912 3.193558 4.517649 
1 1 1    8   17   12 o   9.7899   2.6620   14.193   7.3244   23.732   12.820   9.5703   8.9244   12.465   3.5720   8.5607   3.0368 3.904743 4.688434 
1 1 1    8   17   13 o   26.867   1.5407  101.073   11.288  126.552   16.689   79.588   15.325   29.823   2.0561   23.443   2.4222 6.380228 3.177163 
1 1 1    8   17   14 o   9.6974   3.1955   14.036   9.8398   11.605   16.660   15.338   12.194   10.018   4.0080   10.193   3.5552 -0.1744671 5.357557 
1 1 1    8   17   15 o   14.765   2.5545   32.921   9.9541   31.578   14.332   34.173   13.836   13.808   3.7108   14.488   3.5218 -0.6803513 5.115943 
1 1 1    8   17   16 o   6.1538   2.7638  -2.4110   9.7007  -4.7435   15.990  -1.0526   12.203   7.5463   3.4517   7.0587   3.1399 0.4876299 4.666157 
1 1 1    8   17   17 o   9.6852   3.1531   14.936   9.5912   15.206   14.708   14.736   12.651   10.011   3.8350   9.7700   3.5954 0.2410660 5.256792 
1 1 1    8   18    0 o   4.3869   3.0341  -9.7812   12.414  -9.7812   12.414  -9.7812   12.414   4.3869   3.0341   4.3869   3.0341 0.000000 0.000000 
1 1 1    8   18    1 o   23.555   1.2435   76.522   7.9921   66.523   15.574   80.097   9.3118   21.659   2.6833   24.074   1.4188 -2.415333 3.035315 
1 1 1    8   18    2 o   33.993   1.1195  158.808   10.421  120.217   23.799  167.963   11.591   29.087   3.0325   34.948   1.2112 -5.860596 3.265444 
1 1 1    8   18    3 o   20.050   1.6591   55.882   9.0272   1.3430   29.322   61.593   9.4880   11.680   5.0374   21.056   1.6590 -9.375657 5.303559 
1 1 1    8   18    4 o   37.645   1.1462  194.867   11.815   84.673   28.647  217.456   12.970   23.733   4.5737   39.760   1.1912 -16.02667 4.726274 
1 1 1    8   18    5 o   19.444   1.5717   52.554   8.2969   29.844   17.485   59.153   9.4257   14.176   4.2031   20.615   1.6844 -6.439322 4.528104 
1 1 1    8   18    6 o   20.329   1.7347   57.654   9.5643   69.388   20.115   54.226   10.872   21.762   3.4936   19.637   2.0521 2.124681 4.051726 
1 1 1    8   18    7 o   21.245   1.4271   62.623   8.2542   48.910   18.493   66.034   9.2241   18.022   3.8633   21.793   1.5559 -3.770983 4.164868 
1 1 1    8   18    8 o   9.2204   2.8238   12.184   7.8004   6.2600   18.275   13.504   8.6256   9.9329   4.1126   9.6859   2.9700 0.2470264 5.072890 
1 1 1    8   18    9 o   16.334   1.8795   37.738   8.2536   6.8449   21.628   43.003   8.9293   10.560   4.4309   17.443   1.9001 -6.883496 4.821111 
1 1 1    8   18   10 o   14.428   1.9151   29.688   7.3793   11.026   12.654   39.305   9.0839   9.5182   3.5776   16.593   2.0423 -7.074739 4.119536 
1 1 1    8   18   11 o   43.928   1.0064  266.446   12.106  218.812   27.564  277.830   13.475   38.815   2.6084   44.821   1.0979 -6.005821 2.830049 
1 1 1    8   18   12 o   10.564   2.6188   16.919   7.5374   21.900   11.872   13.555   9.7557   11.789   3.4548   9.5709   3.1832 2.217861 4.697667 
1 1 1    8   18   13 o   7.8145   2.8362   8.1310   7.8333   4.0730   13.134   10.372   9.7590   8.1081   3.4301   8.6829   3.1635 -0.5748005 4.666142 
1 1 1    8   18   14 o   21.231   1.7755   64.694   10.228   38.932   17.506   78.045   12.602   14.943   4.1371   23.190   2.0042 -8.246982 4.597023 
1 1 1    8   18   15 o   9.5152   2.9662   14.258   8.5638   25.863   16.939   10.273   9.9257   12.134   4.1926   8.5557   3.1778 3.578403 5.260839 
1 1 1    8   19    0 o   7.9634   4.1798   13.152   12.044   13.152   12.044   13.152   12.044   7.9634   4.1798   7.9634   4.1798 0.000000 0.000000 
1 1 1    8   19    1 o   38.992   1.4141  210.055   15.099  113.106   28.139  249.257   17.893   27.636   3.8205   42.440   1.5397 -14.80395 4.119049 
1 1 1    8   19    2 o   8.5806   2.6865   10.378   7.0163   14.481   12.919   8.6614   8.3560   10.431   3.6582   8.2854   2.9386 2.145074 4.692298 
1 1 1    8   19    3 o   6.5853   2.8404  -0.3707   9.3250  -0.1254   16.417  -0.4875   11.330   8.6735   3.7549   7.2224   3.1230 1.451160 4.883901 
1 1 1    8   19    4 o   16.126   1.8169   36.641   7.8832   26.226   16.641   39.654   8.9512   13.215   4.1374   16.738   1.9921 -3.522585 4.592036 
1 1 1    8   19    5 o   17.925   1.6350   45.005   7.9372   27.299   16.685   50.184   9.0235   13.393   4.1347   18.903   1.7636 -5.510227 4.495106 
1 1 1    8   19    6 o   20.064   2.6215   58.313   14.059   51.349   18.836   67.074   21.126   18.241   3.8898   20.951   3.8233 -2.709963 5.454134 
1 1 1    8   19    7 o   11.882   3.1292   21.382   10.323   27.904   16.493   17.182   13.235   13.375   4.1078   10.903   3.7079 2.471664 5.533716 
1 1 1    8   19    8 o   16.933   2.3212   41.598   10.480   27.528   16.404   51.303   13.623   13.187   4.1043   18.639   2.7520 -5.451394 4.941548 
1 1 1    8   19    9 o   13.935   3.0109   29.710   11.154   15.159   19.608   36.672   13.563   11.029   4.3688   15.366   3.3202 -4.337314 5.487258 
1 1 1    8   19   10 o   25.583   2.0251   93.976   14.071  -9.2421   25.925  137.076   16.752   9.3070   4.3066   30.948   1.9873 -21.64123 4.743004 
1 1 1    8   19   11 o   6.8048   2.4953   5.8347   6.0858 -17.6249   33.206   6.6501   6.1907   9.7135   4.6125   7.0777   2.5273 2.635851 5.259513 
1 1 1    8   19   12 o   14.786   1.6729   31.395   6.6543   32.552   14.658   31.095   7.4682   13.899   3.7601   14.613   1.9122 -0.7138500 4.218394 
1 1 1    8   19   13 o   5.0439   2.3046  -3.5587   7.1025 -19.9026   14.045   2.0567   8.2327   5.7487   2.7968   6.4244   2.7166 -0.6756673 3.898974 
1 1 1    8   20    0 o   15.273   3.1855   36.732   11.744   36.732   11.744   36.732   11.744   15.273   3.1855   15.273   3.1855 0.000000 0.000000 
1 1 1    8   20    1 o   19.966   1.2464   55.418   6.7802   54.442   11.609   55.924   8.3528   19.476   2.2162   19.979   1.5386 -0.5024586 2.697950 
1 1 1    8   20    2 o   28.112   1.1104  109.225   8.5477   40.443   18.906  126.896   9.5831   15.828   4.2655   30.289   1.1554 -14.46145 4.419248 
1 1 1    8   20    3 o   5.8239   2.5344  -0.6442   7.5571   1.3256   11.393  -2.1919   10.099   7.4090   3.1665   6.4704   2.8683 0.9386311 4.272441 
1 1 1    8   20    4 o   24.523   1.5121   84.241   10.104   39.468   16.518  111.016   12.773   15.730   3.8629   28.099   1.6676 -12.36898 4.207483 
1 1 1    8   20    5 o   21.615   1.7685   66.186   10.376   34.773   16.572   86.441   13.307   14.629   4.0152   24.614   1.9914 -9.985574 4.481862 
1 1 1    8   20    6 o   11.252   3.5277   19.761   12.093   32.504   19.114   11.255   15.616   13.920   4.4436   9.8268   3.8969 4.093700 5.910304 
1 1 1    8   20    7 o   11.007   3.1421   18.928   9.9385   28.322   16.376   13.450   12.505   13.060   4.1068   9.7642   3.5774 3.296137 5.446368 
1 1 1    8   20    8 o   22.296   1.9037   71.452   11.512   40.517   16.368  101.732   16.194   15.606   3.8532   26.384   2.2633 -10.77791 4.468705 
1 1 1    8   20    9 o   10.174   3.3872   16.218   11.046   26.222   18.806   10.950   13.648   12.384   4.4068   9.2917   3.6562 3.092264 5.726017 
1 1 1    8   20   10 o   9.5057   3.4335   13.546   11.460 -14.7891   19.321   28.927   14.235   7.4167   3.5208   13.045   3.7715 -5.628572 5.159504 
1 1 1    8   20   11 o   6.7628   3.1303  -6.6737   13.713  -3.9782   22.994  -8.1616   17.083   8.8701   4.0873   7.4208   3.4550 1.449296 5.351900 
1 1 1    8   21    0 o   5.3100   3.4767  -0.2469   12.551  -0.2469   12.551  -0.2469   12.551   5.3100   3.4767   5.3100   3.4767 0.000000 0.000000 
1 1 1    8   21    1 o   11.633   2.4935   20.498   7.7045   24.876   11.737   17.184   10.213   12.460   3.3623   10.482   3.2346 1.977365 4.665543 
1 1 1    8   21    2 o   18.532   1.6122   48.790   8.1003   36.940   12.137   58.306   10.877   15.445   2.9776   20.081   2.0048 -4.636231 3.589650 
1 1 1    8   21    3 o   14.064   2.4671   29.734   9.1550   7.9614   15.214   42.095   11.463   9.0856   3.7563   16.722   2.5868 -7.636703 4.560802 
1 1 1    8   21    4 o   6.5829   2.8918  -0.5120   10.045   2.4015   15.038  -2.8596   13.499   8.2429   3.5811   7.2222   3.2505 1.020618 4.836326 
1 1 1    8   21    5 o   17.968   2.0800   47.183   10.045   20.924   15.635   65.637   13.107   11.341   4.0200   21.080   2.3084 -9.738756 4.635628 
1 1 1    8   21    6 o   10.029   3.5546   15.548   12.225  -9.0046   18.306   35.310   16.424   7.6748   3.5744   14.273   4.0270 -6.597961 5.384485 
1 1 1    8   21    7 o   22.937   2.0010   76.604   12.442   42.358   16.912  117.012   18.370   15.668   3.9444   28.013   2.4185 -12.34489 4.626791 
1 1 1    8   21    8 o   6.8983   2.9906   1.2479   10.443   14.775   16.102  -8.5722   13.720   10.089   3.9709   6.5746   3.0728 3.514238 5.020984 
1 1 1    8   22    0 o   16.770   2.3899   42.219   10.330   42.219   10.330   42.219   10.330   16.770   2.3899   16.770   2.3899 0.000000 0.000000 
1 1 1    8   22    1 o   10.191   3.2237   16.705   10.078   9.8342   12.856   27.657   16.231   8.8687   3.5298   12.527   4.1029 -3.658092 5.412311 
1 1 1    8   22    2 o   18.261   2.1666   49.368   10.622   51.617   13.812   46.112   16.620   18.193   2.8672   16.462   3.7683 1.731253 4.735095 
1 1 1    8   22    3 o   10.257   3.0001   16.862   8.9607   20.133   13.988   14.585   11.670   10.979   3.8089   9.6912   3.4689 1.287704 5.151806 
1 1 1    8   22    4 o   19.704   1.8296   56.278   9.7594   8.0795   14.479   96.404   13.211   8.7883   3.6515   25.786   1.8840 -16.99779 4.108860 
1 1 1    9    0    1 o   83.045   1.2468  945.056   28.338  945.056   28.338  945.056   28.338   83.045   1.2468   83.045   1.2468 0.000000 0.000000 
1 1 1    9    0    2 o   45.229   1.1275  280.654   13.945  280.654   13.945  280.654   13.945   45.229   1.1275   45.229   1.1275 0.000000 0.000000 
1 1 1    9    0    3 o   55.068   1.1279  415.797   16.993  415.797   16.993  415.797   16.993   55.068   1.1279   55.068   1.1279 0.000000 0.000000 
1 1 1    9    0    4 o   40.429   1.3948  224.661   15.400  224.661   15.400  224.661   15.400   40.429   1.3948   40.429   1.3948 0.000000 0.000000 
1 1 1    9    0    5 o   24.819   2.2601   86.494   15.068   86.494   15.068   86.494   15.068   24.819   2.2601   24.819   2.2601 0.000000 0.000000 
1 1 1    9    0    6 o  117.776   2.1458  1902.97   69.153  1902.97   69.153  1902.97   69.153  117.776   2.1458  117.776   2.1458 0.000000 0.000000 
1 1 1    9    0    7 o   8.3048   4.1965   13.919   11.843   13.919   11.843   13.919   11.843   8.3048   4.1965   8.3048   4.1965 0.000000 0.000000 
1 1 1    9    0    8 o   58.192   1.2339  464.483   19.643  464.483   19.643  464.483   19.643   58.192   1.2339   58.192   1.2339 0.000000 0.000000 
1 1 1    9    0    9 o  145.199   2.2798  2893.98   90.595  2893.98   90.595  2893.98   90.595  145.199   2.2798  145.199   2.2798 0.000000 0.000000 
1 1 1    9    0   10 f   31.155   1.6301  134.116   13.820  134.116   13.820  134.116   13.820   31.155   1.6301   31.155   1.6301 0.000000 0.000000 
1 1 1    9    0   11 o   48.713   1.2787  325.778   17.030  325.778   17.030  325.778   17.030   48.713   1.2787   48.713   1.2787 0.000000 0.000000 
1 1 1    9    0   12 o  140.469   1.7738  2706.63   68.204  2706.63   68.204  2706.63   68.204  140.469   1.7738  140.469   1.7738 0.000000 0.000000 
1 1 1    9    0   13 o   40.686   2.1050  228.947   23.308  228.947   23.308  228.947   23.308   40.686   2.1050   40.686   2.1050 0.000000 0.000000 
1 1 1    9    0   14 o   51.189   1.3631  359.908   19.076  359.908   19.076  359.908   19.076   51.189   1.3631   51.189   1.3631 0.000000 0.000000 
1 1 1    9    0   15 o  120.446   1.8611  1992.29   61.352  1992.29   61.352  1992.29   61.352  120.446   1.8611  120.446   1.8611 0.000000 0.000000 
1 1 1    9    0   16 o   43.268   1.6116  257.891   19.034  257.891   19.034  257.891   19.034   43.268   1.6116   43.268   1.6116 0.000000 0.000000 
1 1 1    9    0   17 o   56.495   1.4863  438.757   22.957  438.757   22.957  438.757   22.957   56.495   1.4863   56.495   1.4863 0.000000 0.000000 
1 1 1    9    0   18 o   45.428   1.8426  284.909   22.836  284.909   22.836  284.909   22.836   45.428   1.8426   45.428   1.8426 0.000000 0.000000 
1 1 1    9    0   19 f   86.075   1.4948  1018.01   35.209  1018.01   35.209  1018.01   35.209   86.075   1.4948   86.075   1.4948 0.000000 0.000000 
1 1 1    9    0   20 o   74.121   1.5215  755.767   30.852  755.767   30.852  755.767   30.852   74.121   1.5215   74.121   1.5215 0.000000 0.000000 
1 1 1    9    0   21 o   20.493   5.4387   70.991   26.370   70.991   26.370   70.991   26.370   20.493   5.4387   20.493   5.4387 0.000000 0.000000 
1 1 1    9    0   22 o   11.792   5.3747   29.627   18.841   29.627   18.841   29.627   18.841   11.792   5.3747   11.792   5.3747 0.000000 0.000000 
1 1 1    9    0   23 o   9.6546   5.3555   20.991   20.839   20.991   20.839   20.991   20.839   9.6546   5.3555   9.6546   5.3555 0.000000 0.000000 
1 1 1    9    0   24 o   7.9195   4.9090   10.944   21.211   10.944   21.211   10.944   21.211   7.9195   4.9090   7.9195   4.9090 0.000000 0.000000 
1 1 1    9    0   25 o   7.5289   4.5122   11.736   16.643   11.736   16.643   11.736   16.643   7.5289   4.5122   7.5289   4.5122 0.000000 0.000000 
1 1 1    9    1    0 o   10.994   3.9675   21.969   10.948   21.969   10.948   21.969   10.948   10.994   3.9675   10.994   3.9675 0.000000 0.000000 
1 1 1    9    1    1 o   44.190   0.9648  267.426   11.674  192.679   18.523  316.679   15.036   37.499   1.8039   48.085   1.1419 -10.58659 2.134987 
1 1 1    9    1    2 o  106.049   0.8601  1540.14   24.976  1527.61   35.107  1552.97   35.540  105.607   1.2140  106.480   1.2189 -0.8726425 1.720296 
1 1 1    9    1    3 o  101.856   0.8791  1420.78   24.521  1432.27   33.468  1407.46   36.029  102.258   1.1952  101.365   1.2980 0.8930817 1.764463 
1 1 1    9    1    4 o  150.951   1.4942  3122.03   61.763  2993.37   82.586  3285.33   93.037  147.762   2.0410  154.785   2.1950 -7.022400 2.997312 
1 1 1    9    1    5 o   33.221   2.7881  152.587   25.129   85.322   42.797  187.981   31.044   24.342   6.3529   36.860   3.1045 -12.51824 7.070882 
1 1 1    9    1    6 o   83.058   0.9974  944.958   22.685  960.299   32.917  931.080   31.307   83.710   1.4360   82.429   1.3870 1.280922 1.996438 
1 1 1    9    1    7 o  142.769   1.1788  2792.81   46.085  2778.84   64.740  2807.16   65.617  142.361   1.6607  143.083   1.6747 -0.7216339 2.358520 
1 1 1    9    1    8 o   51.040   1.0372  356.922   14.497  354.376   19.697  359.931   21.413   50.843   1.4147   51.235   1.5263 -0.3917236 2.081091 
1 1 1    9    1    9 o   67.228   0.9102  619.175   16.756  618.885   22.404  619.543   25.243   67.197   1.2175   67.223   1.3713 -0.2628326E-01 1.833801 
1 1 1    9    1   10 o   45.759   0.9013  286.860   11.294  298.719   16.096  275.361   15.850   46.682   1.2592   44.818   1.2915 1.863602 1.803724 
1 1 1    9    1   11 o   50.686   0.8890  351.977   12.339  364.082   17.649  340.401   17.258   51.535   1.2506   49.830   1.2648 1.704891 1.778699 
1 1 1    9    1   12 o   48.850   0.9164  326.974   12.259  322.456   17.383  331.443   17.290   48.493   1.3091   49.165   1.2842 -0.6725082 1.833830 
1 1 1    9    1   13 o   27.128   1.7335  101.467   12.810  112.340   18.019   90.357   18.214   28.474   2.3314   25.466   2.6508 3.008125 3.530226 
1 1 1    9    1   14 o   66.965   0.9890  614.676   18.136  590.738   27.102  634.088   24.405   65.600   1.5087   67.986   1.3109 -2.385925 1.998684 
1 1 1    9    1   15 o  111.568   1.1792  1707.42   36.026  1707.91   54.307  1707.04   48.144  111.452   1.7794  111.474   1.5772 -0.2176666E-01 2.377777 
1 1 1    9    1   16 o   25.515   1.7986   90.016   12.486   92.138   18.738   88.321   16.746   25.660   2.7077   25.165   2.4616 0.4949360 3.659385 
1 1 1    9    1   17 o   68.547   1.0102  644.503   18.961  664.067   27.368  626.444   26.295   69.515   1.4377   67.520   1.4222 1.995277 2.022260 
1 1 1    9    1   18 o   38.701   1.3763  205.863   14.586  210.195   19.754  200.672   21.627   39.046   1.8475   38.060   2.0830 0.9856567 2.784283 
1 1 1    9    1   19 o   11.551   3.7501   18.407   13.570   34.436   20.274   5.3972   18.266   15.333   4.5207   10.030   4.1281 5.303240 6.121885 
1 1 1    9    1   20 o   17.940   2.7658   46.059   13.151   56.694   18.831   35.934   18.374   19.682   3.6276   15.523   4.2142 4.159081 5.560484 
1 1 1    9    1   21 o   29.303   2.1184  120.381   16.884  107.316   23.544  134.214   24.226   27.243   3.2181   30.637   2.9232 -3.393469 4.347564 
1 1 1    9    1   22 o   40.181   1.4310  223.835   15.746  209.424   21.174  241.665   23.551   38.585   2.0109   41.416   2.0832 -2.831020 2.895469 
1 1 1    9    1   23 o   23.727   2.2137   81.147   14.217   87.538   21.685   76.329   18.828   23.877   3.4137   22.453   3.1488 1.423840 4.644180 
1 1 1    9    1   24 o   31.507   1.8702  142.396   16.063  164.494   23.181  121.984   22.279   33.219   2.5683   28.250   2.9223 4.969370 3.890495 
1 1 1    9    1   25 o   18.791   2.4249   53.351   12.187   38.167   17.160   68.800   17.309   14.577   4.1176   20.757   3.1438 -6.179824 5.180531 
1 1 1    9    2    0 o  152.330   1.8878  3180.03   78.718  3180.03   78.718  3180.03   78.718  152.330   1.8878  152.330   1.8878 0.000000 0.000000 
1 1 1    9    2    1 o   40.884   1.2886  228.960   14.427  275.939   16.827   98.617   28.028   44.882   1.3691   26.491   3.9873 18.39069 4.215854 
1 1 1    9    2    2 o   18.575   1.5852   47.617   7.9859   40.705   11.635   53.772   10.980   17.036   2.5744   19.698   2.0664 -2.661604 3.301168 
1 1 1    9    2    3 o   65.026   0.8554  579.074   15.231  581.978   21.651  576.228   21.431   65.182   1.2130   64.859   1.2067 0.3226700 1.710968 
1 1 1    9    2    4 o   56.121   1.0225  431.387   15.714  417.783   18.917  461.663   28.221   55.224   1.2510   58.037   1.7757 -2.812237 2.172123 
1 1 1    9    2    5 o   90.640   1.0000  1125.29   24.821  1120.82   31.975  1132.07   39.375   90.448   1.2910   90.886   1.5821 -0.4382858 2.041981 
1 1 1    9    2    6 o  119.688   1.2730  1962.86   41.722  1883.59   61.153  2031.89   57.067  117.192   1.9056  121.738   1.7119 -4.545822 2.561591 
1 1 1    9    2    7 o  136.588   1.1713  2556.29   43.811  2539.99   59.881  2575.06   64.269  136.107   1.6066  137.030   1.7128 -0.9231720 2.348363 
1 1 1    9    2    8 o   18.243   1.7128   46.055   8.4561   46.909   11.949   45.197   11.969   18.314   2.4435   17.962   2.5012 0.3526382 3.496716 
1 1 1    9    2    9 o   46.303   0.9230  293.722   11.702  293.867   17.366  293.601   15.839   46.297   1.3698   46.281   1.2497 0.1576996E-01 1.854245 
1 1 1    9    2   10 o   52.583   0.9951  378.861   14.328  398.754   24.855  368.960   17.535   53.909   1.6837   51.881   1.2342 2.027416 2.087626 
1 1 1    9    2   11 o   23.160   1.4707   73.866   9.2789   67.876   13.539   79.171   12.742   22.104   2.2690   23.930   1.9617 -1.825243 2.999431 
1 1 1    9    2   12 o  132.010   1.2755  2389.50   46.109  2501.47   72.719  2314.21   59.627  134.931   1.9681  129.844   1.6770 5.086792 2.585681 
1 1 1    9    2   13 o   23.687   1.7762   77.495   11.437   68.772   14.620   91.249   18.359   22.213   2.4440   25.589   2.6588 -3.376316 3.611454 
1 1 1    9    2   14 o   19.563   2.0483   53.226   10.810   35.200   16.097   68.032   14.589   15.598   3.8031   22.080   2.4545 -6.482615 4.526402 
1 1 1    9    2   15 o   81.651   0.9738  913.995   21.772  905.649   30.750  922.385   30.832   81.225   1.3825   81.973   1.3735 -0.7484512 1.948808 
1 1 1    9    2   16 o   34.107   1.5265  159.856   14.257  167.726   18.023  146.694   23.307   34.852   1.8956   32.451   2.6459 2.400742 3.254850 
1 1 1    9    2   17 o   47.273   1.1954  306.763   15.474  304.216   21.028  309.772   22.853   47.023   1.6330   47.432   1.7595 -0.4090538 2.400528 
1 1 1    9    2   18 o   17.167   2.8497   42.063   12.926   59.107   18.761   26.660   17.835   20.252   3.5103   13.709   4.2818 6.542526 5.536776 
1 1 1    9    2   19 o   45.372   1.2410  282.921   15.419  287.047   22.128  279.028   21.498   45.614   1.7715   44.977   1.7455 0.6366653 2.486972 
1 1 1    9    2   20 o   46.261   1.3151  294.598   16.659  303.196   25.180  287.905   22.216   46.776   1.9658   45.631   1.7780 1.145237 2.650570 
1 1 1    9    2   21 o   7.7820   3.5146  -6.8521   15.941   3.9386   22.482 -17.7624   22.607   10.526   4.4721   8.4951   3.9616 2.030844 5.974492 
1 1 1    9    2   22 o   26.495   1.9016   98.805   13.705  120.044   21.957   85.251   17.541   28.769   2.8236   24.273   2.6839 4.495920 3.895651 
1 1 1    9    2   23 o   24.808   1.9975   87.940   13.455   95.426   19.191   80.704   18.868   25.348   2.8123   23.133   3.0531 2.214598 4.150916 
1 1 1    9    2   24 o   7.0859   3.3089  -9.6592   15.856   0.8696   20.932 -23.8321   24.286   9.1239   4.0815   7.8705   3.7922 1.253367 5.571326 
1 1 1    9    2   25 o   10.969   3.5906   20.183   12.431   18.176   16.374   22.914   19.099   10.624   4.0519   11.510   4.3793 -0.8864326 5.966232 
1 1 1    9    3    0 o  151.498   3.0746  3150.67  127.434  3150.67  127.434  3150.67  127.434  151.498   3.0746  151.498   3.0746 0.000000 0.000000 
1 1 1    9    3    1 o   83.759   0.9897  960.824   22.701  947.591   34.992  970.441   29.830   83.163   1.5366   84.168   1.2942 -1.005226 2.008999 
1 1 1    9    3    2 o   51.188   1.2420  358.932   17.410  200.915   30.159  437.909   21.321   38.146   2.9091   56.537   1.3772 -18.39085 3.218598 
1 1 1    9    3    3 o   30.414   1.0686  126.696   8.8995  134.638   13.738  120.953   11.682   31.304   1.6080   29.712   1.4358 1.591845 2.155791 
1 1 1    9    3    4 f   37.816   0.8434  195.848   8.7336  195.285   13.468  196.255   11.473   37.754   1.3027   37.851   1.1069 -0.9698868E-01 1.709451 
1 1 1    9    3    5 o   64.372   0.7616  567.502   13.425  557.576   20.477  574.984   17.779   63.796   1.1721   64.789   1.0021 -0.9934654 1.542119 
1 1 1    9    3    6 o   97.609   1.0147  1305.16   27.122  1276.50   40.130  1329.26   36.798   96.500   1.5186   98.485   1.3645 -1.985199 2.041576 
1 1 1    9    3    7 f   38.163   0.9553  199.520   9.9837  188.198   14.249  210.439   13.993   37.053   1.4043   39.184   1.3041 -2.131424 1.916432 
1 1 1    9    3    8 o   40.618   0.9169  226.025   10.198  220.354   14.458  231.641   14.387   40.093   1.3169   41.109   1.2781 -1.015404 1.835105 
1 1 1    9    3    9 o   65.649   0.8532  590.401   15.338  599.908   21.982  581.381   21.411   66.158   1.2134   65.129   1.2005 1.028809 1.706911 
1 1 1    9    3   10 o  122.495   1.1941  2056.72   40.055  2072.70   60.652  2044.36   53.341  122.884   1.8024  122.074   1.5957 0.8099518 2.407295 
1 1 1    9    3   11 o   38.369   1.0025  201.734   10.533  204.731   15.109  198.900   14.691   38.636   1.4281   38.083   1.4087 0.5532570 2.005966 
1 1 1    9    3   12 o   56.836   0.9730  442.672   15.143  474.608   24.298  422.389   19.364   58.814   1.5087   55.501   1.2741 3.312943 1.974739 
1 1 1    9    3   13 o   35.723   1.3343  175.048   13.052  163.161   17.193  191.219   20.052   34.412   1.8311   37.243   1.9732 -2.831551 2.691970 
1 1 1    9    3   14 o   45.675   1.0313  286.002   12.899  293.781   18.609  278.808   17.895   46.261   1.4690   45.068   1.4501 1.192753 2.064127 
1 1 1    9    3   15 o   24.085   1.6783   80.120   11.000   79.414   15.986   80.756   15.159   23.854   2.4837   24.085   2.3274 -0.2303829 3.403745 
1 1 1    9    3   16 o   14.328   3.2591   29.695   12.499   32.282   16.316   26.022   19.444   14.904   3.9384   13.766   4.4899 1.137768 5.972462 
1 1 1    9    3   17 o   8.8832   3.5542   5.6770   13.102   7.4569   17.037   3.1010   20.496   10.106   4.0496   10.266   4.3108 -0.1602173 5.914557 
1 1 1    9    3   18 o   53.192   1.1118  388.407   16.194  392.499   23.220  384.532   22.597   53.400   1.5879   52.860   1.5611 0.5400620 2.226812 
1 1 1    9    3   19 o   52.118   1.1690  373.198   16.684  401.995   24.500  348.296   22.783   53.998   1.6569   50.263   1.6553 3.735416 2.342094 
1 1 1    9    3   20 o   44.295   1.3291  270.199   16.122  259.641   24.279  278.526   21.562   43.250   2.0500   44.877   1.7546 -1.626888 2.698344 
1 1 1    9    3   21 o   20.118   3.0200   58.847   16.124   77.788   22.824   39.976   22.782   22.850   3.7798   16.054   4.8064 6.796375 6.114575 
1 1 1    9    3   22 o   22.258   2.2119   70.710   13.303   51.472   21.364   82.892   17.001   17.929   4.3873   23.918   2.6396 -5.989693 5.120150 
1 1 1    9    3   23 o   12.633   3.4127   25.251   12.085   10.532   18.768   35.678   15.795   10.170   4.1850   14.802   3.8577 -4.632063 5.691706 
1 1 1    9    3   24 o   27.975   1.9552  113.084   14.884  131.539   21.067   94.689   21.031   29.575   2.6286   24.546   3.2056 5.029810 4.145502 
1 1 1    9    3   25 o   9.0074   3.5237   11.107   12.612   5.9612   16.547   18.242   19.485   8.7721   3.7837   10.776   4.3263 -2.004104 5.747431 
1 1 1    9    4    0 o   12.954   3.8569   28.360   11.908   28.360   11.908   28.360   11.908   12.954   3.8569   12.954   3.8569 0.000000 0.000000 
1 1 1    9    4    1 o  160.410   1.8352  3527.16   80.613  3517.96  113.544  3536.51  114.470  160.108   2.5898  160.528   2.6041 -0.4194489 3.672598 
1 1 1    9    4    2 o   80.023   0.8997  877.031   19.714  888.705   29.097  867.125   26.805   80.540   1.3193   79.560   1.2303 0.9806137 1.803985 
1 1 1    9    4    3 o   45.923   0.7944  288.825   9.9896  299.390   13.334  275.307   15.082   46.752   1.0415   44.828   1.2286 1.923508 1.610681 
1 1 1    9    4    4 o   38.632   0.8936  204.408   9.4530  269.937   19.684  184.766   10.777   44.376   1.6199   36.726   1.0716 7.650402 1.942264 
1 1 1    9    4    5 o   40.996   0.8801  230.199   9.8797  217.857   17.879  235.624   11.854   39.863   1.6379   41.473   1.0438 -1.610065 1.942228 
1 1 1    9    4    6 o  164.055   1.5950  3690.35   71.655  4011.98  113.097  3474.66   92.616  170.894   2.4168  159.099   2.1258 11.79504 3.218693 
1 1 1    9    4    7 o   28.203   1.4565  109.347   11.210   74.962   25.171  117.855   12.520   22.924   4.1630   29.273   1.5676 -6.349298 4.448381 
1 1 1    9    4    8 o   66.489   0.8506  605.601   15.487  616.298   22.158  595.385   21.653   67.056   1.2067   65.909   1.1997 1.147125 1.701626 
1 1 1    9    4    9 o   45.041   0.8955  277.927   11.045  294.793   16.009  262.604   15.259   46.374   1.2607   43.768   1.2731 2.605473 1.791680 
1 1 1    9    4   10 o   96.979   0.9837  1288.70   26.125  1282.38   37.028  1294.98   36.864   96.703   1.3983   97.178   1.3853 -0.4751968 1.968333 
1 1 1    9    4   11 o   49.736   0.9352  338.952   12.737  343.443   19.047  335.319   17.130   50.041   1.3900   49.453   1.2650 0.5881424 1.879400 
1 1 1    9    4   12 o   51.610   1.0800  365.108   15.263  407.989   27.419  345.854   18.373   54.498   1.8373   50.216   1.3361 4.282566 2.271746 
1 1 1    9    4   13 o   42.435   1.1389  246.904   13.235  246.347   17.269  247.695   20.602   42.365   1.4886   42.459   1.7720 -0.9403610E-01 2.314222 
1 1 1    9    4   14 o   41.219   1.1040  232.991   12.461  235.192   17.827  230.887   17.425   41.380   1.5733   41.002   1.5519 0.3787231 2.209899 
1 1 1    9    4   15 o   38.452   1.1773  202.854   12.396  217.676   17.915  189.239   17.171   39.794   1.6440   37.100   1.6902 2.694359 2.357868 
1 1 1    9    4   16 o   30.957   1.6766  132.210   14.160  164.139   17.995   80.300   22.945   34.466   1.9142   23.696   3.6535 10.76966 4.124629 
1 1 1    9    4   17 o   33.454   1.4923  153.892   13.671  169.729   18.770  136.000   19.951   35.024   1.9650   31.265   2.3474 3.758869 3.061339 
1 1 1    9    4   18 o   40.852   1.2824  229.334   14.346  225.839   20.285  232.832   20.291   40.464   1.8307   41.090   1.8033 -0.6261559 2.569691 
1 1 1    9    4   19 o   94.938   1.1321  1238.31   29.432  1261.40   42.197  1216.44   41.073   95.652   1.6110   93.937   1.5967 1.714142 2.268220 
1 1 1    9    4   20 o   24.977   2.0120   87.173   13.645   84.916   19.993   89.142   18.669   24.329   3.0692   25.039   2.7691 -0.7092228 4.133778 
1 1 1    9    4   21 o   35.517   1.9699  176.588   19.084  191.043   29.824  166.566   24.834   36.422   3.0175   34.176   2.6749 2.245392 4.032396 
1 1 1    9    4   22 o   9.8497   3.5579   13.005   12.306   23.094   19.119   5.8687   16.080   12.476   4.4428   9.2467   3.8455 3.229089 5.875909 
1 1 1    9    4   23 o   7.5717   3.2380   2.1254   11.927   0.7595   18.332   3.1280   15.705   8.8150   3.8882   8.5763   3.6927 0.2386494 5.362287 
1 1 1    9    4   24 o   25.523   1.9160   94.201   13.294   89.839   17.842   99.645   19.932   24.278   2.7311   25.403   2.9184 -1.124485 3.996967 
1 1 1    9    4   25 o   12.458   3.3599   26.047   11.725   50.329   16.683   2.3474   16.482   17.200   3.6547   8.2988   3.6723 8.901307 5.180988 
1 1 1    9    5    0 o   53.999   2.5040  402.324   36.845  402.324   36.845  402.324   36.845   53.999   2.5040   53.999   2.5040 0.000000 0.000000 
1 1 1    9    5    1 o   88.916   0.9142  1082.87   22.260  1074.02   30.068  1093.61   33.114   88.539   1.2402   89.337   1.3536 -0.7981339 1.835828 
1 1 1    9    5    2 o   66.332   0.8852  602.635   16.079  646.300   21.988  552.447   23.573   68.684   1.1691   63.495   1.3558 5.189236 1.790245 
1 1 1    9    5    3 o   68.248   0.9628  638.022   17.995  641.995   27.073  634.879   24.084   68.441   1.4445   68.068   1.2921 0.3735962 1.938113 
1 1 1    9    5    4 o   39.916   0.8526  218.229   9.3188  203.780   14.666  228.012   12.068   38.559   1.3890   40.796   1.0803 -2.236412 1.759606 
1 1 1    9    5    5 o   63.519   0.9545  552.705   16.601  482.917   24.819  609.215   22.333   59.349   1.5271   66.675   1.2232 -7.326717 1.956634 
1 1 1    9    5    6 o   97.701   0.9086  1307.65   24.308  1300.81   36.470  1313.12   32.606   97.411   1.3672   97.884   1.2165 -0.4725113 1.830039 
1 1 1    9    5    7 o   58.070   1.3871  462.332   22.058  488.015   32.238  439.727   30.245   59.619   1.9747   56.595   1.9516 3.024590 2.776336 
1 1 1    9    5    8 o   88.366   0.9119  1069.80   22.067  1073.80   31.078  1065.72   31.339   88.505   1.2823   88.170   1.2980 0.3350067 1.824587 
1 1 1    9    5    9 o   24.681   1.3290   83.760   8.9491   84.553   12.828   83.009   12.491   24.742   1.9080   24.518   1.8747 0.2245903 2.674881 
1 1 1    9    5   10 o   86.273   1.0084  1019.96   23.823  981.496   36.863  1047.54   31.218   84.577   1.5917   87.406   1.3043 -2.829758 2.057805 
1 1 1    9    5   11 o  110.488   1.1376  1673.44   34.418  1646.48   52.093  1694.33   45.850  109.507   1.7372  111.125   1.5067 -1.618271 2.299587 
1 1 1    9    5   12 o   64.914   1.0570  577.616   18.790  559.356   31.569  587.633   23.383   63.809   1.8067   65.455   1.3046 -1.645924 2.228496 
1 1 1    9    5   13 o   49.518   1.0818  336.196   14.670  350.671   19.589  317.712   22.136   50.548   1.4152   48.091   1.6809 2.457439 2.197313 
1 1 1    9    5   14 f   45.829   1.0470  287.995   13.140  298.334   18.879  278.280   18.299   46.610   1.4791   45.015   1.4845 1.594326 2.095609 
1 1 1    9    5   15 o   39.565   1.1764  214.788   12.745  228.370   18.523  202.577   17.563   40.753   1.6598   38.382   1.6711 2.371422 2.355294 
1 1 1    9    5   16 o   50.133   1.1920  344.990   16.365  363.501   21.783  321.007   24.795   51.416   1.5471   48.269   1.8759 3.146900 2.431564 
1 1 1    9    5   17 o   27.245   1.7243  102.649   12.798  102.837   18.339  102.471   17.869   27.125   2.4971   27.090   2.4349 0.3526306E-01 3.487711 
1 1 1    9    5   18 o   31.528   1.6653  137.356   14.326  120.735   19.282  157.832   21.403   29.399   2.4165   33.659   2.3365 -4.260010 3.361422 
1 1 1    9    5   19 o   37.633   1.4205  195.044   14.639  219.557   21.237  172.855   20.206   39.825   1.9474   35.245   2.1032 4.580639 2.866302 
1 1 1    9    5   20 o   5.2810   2.5902 -24.6911   12.785 -35.1873   18.584 -15.2594   17.617   6.3627   3.1212   7.4555   3.4836 -1.092767 4.677354 
1 1 1    9    5   21 f   12.733   4.2271   24.008   17.207   20.054   25.549   27.290   23.278   12.853   5.0187   13.707   4.9001 -0.8542767 7.014122 
1 1 1    9    5   22 o   40.221   1.3693  224.954   15.081  220.468   21.571  229.244   21.094   39.427   2.0046   40.310   1.9110 -0.8826828 2.769502 
1 1 1    9    5   23 o   7.9683   3.2911   5.1767   11.662   26.042   17.933 -10.1131   15.351   12.479   4.3137   6.9686   3.2547 5.510705 5.403800 
1 1 1    9    5   24 o   9.0276   3.5106   10.946   12.462   25.341   18.952  -0.0174   16.540   12.020   4.4040   8.1281   3.6326 3.891408 5.708882 
1 1 1    9    6    0 o   69.333   1.2683  659.103   24.061  659.103   24.061  659.103   24.061   69.333   1.2683   69.333   1.2683 0.000000 0.000000 
1 1 1    9    6    1 o   62.311   0.8261  531.803   14.095  525.865   21.858  536.030   18.442   61.946   1.2886   62.551   1.0767 -0.6041260 1.679168 
1 1 1    9    6    2 o  123.906   1.4848  2104.60   50.378  1831.69   68.980  2416.57   73.750  115.513   2.1807  132.702   2.0295 -17.18969 2.979038 
1 1 1    9    6    3 o   65.553   0.8714  588.617   15.642  602.209   26.897  581.671   19.227   66.278   1.4820   65.157   1.0776 1.120453 1.832355 
1 1 1    9    6    4 o  187.327   1.4523  4811.02   74.498  4895.71  107.613  4733.08  103.235  188.838   2.0811  185.687   2.0303 3.150864 2.907396 
1 1 1    9    6    5 o   61.347   0.9388  515.597   15.771  426.069   24.342  580.360   20.703   55.736   1.5949   65.076   1.1618 -9.339954 1.973176 
1 1 1    9    6    6 o   64.456   0.8180  569.104   14.439  571.786   21.626  566.947   19.395   64.589   1.2227   64.321   1.1011 0.2673874 1.645443 
1 1 1    9    6    7 o   60.860   1.0226  507.529   17.042  540.751   24.952  478.483   23.331   62.796   1.4511   59.070   1.4424 3.725471 2.046003 
1 1 1    9    6    8 o   66.551   0.9285  606.814   16.922  602.437   22.139  612.966   26.243   66.294   1.2195   66.856   1.4334 -0.5621185 1.882013 
1 1 1    9    6    9 o   63.505   0.9359  552.575   16.276  572.628   26.271  540.085   20.734   64.611   1.4849   62.768   1.2063 1.843315 1.913094 
1 1 1    9    6   10 o   71.061   0.9407  691.938   18.305  702.581   28.264  684.248   24.025   71.566   1.4422   70.644   1.2420 0.9227219 1.903265 
1 1 1    9    6   11 o   62.792   1.0500  540.435   18.055  543.559   32.272  539.013   21.783   62.897   1.8737   62.693   1.2688 0.2041893 2.262908 
1 1 1    9    6   12 o   45.945   1.1600  289.459   14.594  289.388   25.237  289.495   17.889   45.869   2.0092   45.930   1.4223 -0.6050491E-01 2.461723 
1 1 1    9    6   13 o   58.153   1.0510  463.682   16.737  477.329   22.318  446.145   25.300   58.972   1.3820   56.987   1.6213 1.985146 2.130376 
1 1 1    9    6   14 f   61.197   0.9690  513.463   16.239  526.807   23.473  501.215   22.489   61.943   1.3838   60.423   1.3592 1.520378 1.939684 
1 1 1    9    6   15 o   52.183   1.1996  373.720   17.142  377.463   26.346  370.972   22.574   52.359   1.8375   51.944   1.5870 0.4153976 2.427993 
1 1 1    9    6   16 o   32.099   1.7819  142.358   15.602  158.450   22.482  127.409   21.668   33.741   2.4500   30.193   2.6475 3.547409 3.607194 
1 1 1    9    6   17 o   36.381   1.3770  181.953   13.718  160.611   19.636  202.304   19.174   34.024   2.1180   38.303   1.8281 -4.279205 2.797821 
1 1 1    9    6   18 o   28.741   1.7188  114.348   13.466  124.411   19.680  105.489   18.465   29.826   2.4307   27.435   2.4848 2.390738 3.475972 
1 1 1    9    6   19 o   34.981   1.4742  168.725   14.122  146.996   20.132  189.772   19.814   32.416   2.2825   36.948   1.9654 -4.531422 3.012120 
1 1 1    9    6   20 o   9.1254   3.7196   5.8308   14.650   14.846   27.131   2.1200   17.406   12.569   5.0842   9.2215   3.9269 3.347185 6.424088 
1 1 1    9    6   21 o   20.637   2.6745   61.888   14.758   67.257   22.426   57.788   19.601   20.790   4.0848   19.373   3.8305 1.417028 5.599857 
1 1 1    9    6   22 o   24.690   1.8523   86.607   12.432  103.666   19.416   74.754   16.184   26.498   2.7142   22.487   2.6812 4.010517 3.815152 
1 1 1    9    6   23 o   12.238   3.4611   24.483   12.117   30.761   17.801   19.062   16.541   13.271   4.2938   11.034   4.1015 2.237326 5.937948 
1 1 1    9    6   24 o   21.063   2.1313   65.528   12.124   76.929   17.283   54.481   17.012   22.173   2.9174   18.073   3.5642 4.100166 4.605916 
1 1 1    9    7    0 o  121.769   2.3079  2035.84   76.895  2035.84   76.895  2035.84   76.895  121.769   2.3079  121.769   2.3079 0.000000 0.000000 
1 1 1    9    7    1 o  135.754   1.1745  2525.54   43.660  2485.17   63.541  2561.66   60.091  134.595   1.7240  136.668   1.6057 -2.073029 2.355904 
1 1 1    9    7    2 o   58.013   0.9456  461.073   15.022  327.397   32.564  497.207   16.931   48.803   2.4367   60.240   1.0263 -11.43686 2.644014 
1 1 1    9    7    3 o   46.268   0.8313  293.245   10.533  320.589   20.768  283.776   12.221   48.348   1.5686   45.511   0.9806 2.836990 1.849923 
1 1 1    9    7    4 f   77.870   0.8442  830.643   18.001  855.706   27.614  812.121   23.739   79.010   1.2763   76.981   1.1261 2.028603 1.702101 
1 1 1    9    7    5 o  109.262   0.9984  1635.74   29.873  1631.38   46.088  1638.90   39.229  109.061   1.5432  109.339   1.3102 -0.2774658 2.024395 
1 1 1    9    7    6 o   46.130   0.8019  291.493   10.129  290.123   15.720  292.466   13.245   46.005   1.2478   46.199   1.0470 -0.1933517 1.628897 
1 1 1    9    7    7 o   57.965   0.8779  460.308   13.935  439.763   22.976  472.263   17.527   56.625   1.4817   58.703   1.0903 -2.078224 1.839655 
1 1 1    9    7    8 o   85.921   0.9654  1011.56   22.714  1024.71   30.680  995.606   33.790   86.450   1.2960   85.199   1.4483 1.251549 1.943511 
1 1 1    9    7    9 o   24.457   1.3770   82.299   9.1846   90.157   13.294   75.123   12.704   25.548   1.9141   23.295   2.0113 2.252085 2.776528 
1 1 1    9    7   10 o   17.978   1.9655   44.942   9.5182   46.649   14.295   43.583   12.757   18.148   2.9800   17.572   2.7406 0.5757465 4.048613 
1 1 1    9    7   11 o   84.782   1.0560  985.357   24.517  1020.73   38.690  961.627   31.691   86.215   1.6388   83.718   1.3824 2.497559 2.143991 
1 1 1    9    7   12 o   48.224   0.9898  318.801   13.070  322.432   18.757  315.374   18.223   48.467   1.4133   47.936   1.3883 0.5313377 1.981041 
1 1 1    9    7   13 o   52.374   1.1377  376.250   16.317  389.566   22.564  361.654   23.624   53.251   1.5474   51.292   1.6819 1.958805 2.285465 
1 1 1    9    7   14 o   48.050   1.1085  316.733   14.585  330.406   20.240  301.961   21.038   49.036   1.5073   46.862   1.6394 2.173645 2.226999 
1 1 1    9    7   15 o   12.268   3.4204   21.658   11.922   28.947   17.228   14.959   16.515   14.182   4.1633   11.291   4.1151 2.890117 5.853780 
1 1 1    9    7   16 o   18.556   3.5141   49.811   17.202   57.198   31.689   46.725   20.483   19.551   5.6199   17.807   4.2582 1.744865 7.050916 
1 1 1    9    7   17 o   35.249   1.4146  170.917   13.655  204.502   20.451  143.903   18.342   38.429   1.9498   32.190   2.0922 6.239536 2.859878 
1 1 1    9    7   18 o   51.331   1.1538  362.133   16.219  377.135   23.295  348.021   22.594   52.286   1.6270   50.224   1.6428 2.062405 2.312156 
1 1 1    9    7   19 o   15.737   3.1256   36.277   12.994   25.553   18.052   47.807   18.719   13.298   4.3256   17.858   3.9341 -4.559566 5.847096 
1 1 1    9    7   20 o   10.910   3.5558   17.088   12.196   23.008   17.925   11.985   16.642   12.624   4.3150   10.478   4.0619 2.145542 5.926057 
1 1 1    9    7   22 o   19.676   2.7676   58.204   14.500   59.101   26.612   57.826   17.292   17.954   5.1469   19.186   3.4165 -1.232159 6.177687 
1 1 1    9    7   23 f   15.722   2.8969   38.590   12.012   26.991   20.791   44.401   14.717   12.392   4.5999   16.555   3.3611 -4.163533 5.697061 
1 1 1    9    7   24 o   7.5370   3.2200   3.5533   11.773  -6.9760   16.778   13.766   16.524   7.3975   3.4374   9.8603   3.9751 -2.462796 5.255222 
1 1 1    9    8    0 o   13.797   2.3437   28.258   8.0877   28.258   8.0877   28.258   8.0877   13.797   2.3437   13.797   2.3437 0.000000 0.000000 
1 1 1    9    8    1 o  163.361   1.3579  3658.76   60.746  3586.98   88.429  3722.90   83.590  161.625   1.9980  164.691   1.8535 -3.066696 2.725349 
1 1 1    9    8    2 o   46.982   1.0210  302.453   13.135  254.319   20.675  335.028   17.008   43.050   1.7538   49.438   1.2564 -6.388046 2.157394 
1 1 1    9    8    3 o   59.921   0.9276  491.922   15.221  406.828   34.521  512.456   16.958   54.402   2.3173   61.155   1.0126 -6.753338 2.528875 
1 1 1    9    8    4 o  144.751   1.2326  2872.12   48.857  2892.54   76.336  2857.95   63.586  145.146   1.9206  144.336   1.6088 0.8104858 2.505365 
1 1 1    9    8    5 o   32.680   0.8870  146.314   7.9380  148.368   13.075  145.115   9.9897   32.892   1.4517   32.540   1.1211 0.3518562 1.834181 
1 1 1    9    8    6 o   63.414   0.8442  550.904   14.659  544.240   20.946  557.301   20.523   63.010   1.2140   63.764   1.1754 -0.7539597 1.689726 
1 1 1    9    8    7 o   86.415   0.9119  1023.18   21.580  1007.69   35.596  1032.18   27.135   85.705   1.5167   86.777   1.1419 -1.072052 1.898538 
1 1 1    9    8    8 o   41.777   0.9934  239.183   11.364  230.874   15.854  247.964   16.299   41.026   1.4112   42.518   1.3999 -1.491955 1.987710 
1 1 1    9    8    9 o   20.888   1.7249   60.322   9.7782   68.584   14.157   52.786   13.522   22.196   2.3658   19.398   2.6119 2.797403 3.524047 
1 1 1    9    8   10 o   53.957   0.9277  398.996   13.707  389.060   19.517  408.666   19.254   53.254   1.3383   54.583   1.2882 -1.329266 1.857559 
1 1 1    9    8   11 o   34.435   1.3248  162.705   12.492  180.449   21.409  153.545   15.382   36.134   2.1738   33.387   1.6880 2.747066 2.752214 
1 1 1    9    8   12 f   53.554   1.0592  393.293   15.533  414.879   25.807  381.030   19.451   54.935   1.7155   52.687   1.3482 2.247921 2.181875 
1 1 1    9    8   13 o   47.268   1.2018  306.589   15.556  303.441   20.446  310.916   23.972   46.985   1.5891   47.528   1.8419 -0.5434570 2.432647 
1 1 1    9    8   14 o   29.746   1.5467  121.976   12.555  129.481   18.712  115.830   16.932   30.536   2.2538   28.891   2.1557 1.645407 3.118759 
1 1 1    9    8   15 o   29.056   1.6057  116.526   12.726  116.883   17.946  116.164   18.049   28.984   2.2795   28.890   2.3005 0.9409142E-01 3.238616 
1 1 1    9    8   16 o   19.006   2.6535   51.148   13.434   43.923   20.737   56.372   17.634   17.226   4.3848   19.788   3.3755 -2.562416 5.533599 
1 1 1    9    8   17 o   14.957   3.0503   32.450   12.070   39.382   17.873   26.639   16.366   16.307   4.0266   13.561   4.0768 2.745859 5.730116 
1 1 1    9    8   18 o   44.562   1.3324  273.488   16.259  270.948   21.278  277.052   25.206   44.260   1.7556   44.670   2.0606 -0.4106560 2.707069 
1 1 1    9    8   19 o   40.956   1.5250  232.084   17.103  244.997   22.951  215.957   25.648   41.923   1.9992   39.138   2.4048 2.785667 3.127324 
1 1 1    9    8   20 o   9.0187   3.5466   8.1603   12.834   16.174   17.554  -1.0435   18.812   11.218   4.2143   9.0134   3.9585 2.204547 5.781880 
1 1 1    9    8   21 o   23.028   2.3045   76.799   14.337   74.155   22.547   78.595   18.577   21.546   3.9676   22.854   3.0441 -1.307747 5.000852 
1 1 1    9    8   22 f   7.6385   3.2370   3.3115   11.729   17.427   17.475  -8.2610   15.823   10.848   4.1743   7.2285   3.3517 3.619699 5.353375 
1 1 1    9    8   23 o   7.2672   3.1677   1.3792   11.848 -11.9186   20.175   8.3802   14.638   7.7417   3.6519   8.8720   3.6776 -1.130294 5.182805 
1 1 1    9    9    0 o  108.048   1.2891  1600.12   38.129  1600.12   38.129  1600.12   38.129  108.048   1.2891  108.048   1.2891 0.000000 0.000000 
1 1 1    9    9    1 o   29.633   0.8880  120.300   7.2056  128.081   11.482  115.247   9.2546   30.563   1.3720   28.997   1.1655 1.565744 1.800207 
1 1 1    9    9    2 o   54.898   0.8487  412.880   12.759  405.027   18.074  420.682   18.015   54.358   1.2142   55.400   1.1875 -1.041939 1.698358 
1 1 1    9    9    3 o   49.673   0.8497  338.026   11.558  341.367   22.239  336.789   13.529   49.879   1.6282   49.577   0.9965 0.3028488 1.908921 
1 1 1    9    9    4 o   23.791   1.2025   77.786   7.8086   93.790   17.200   73.631   8.7638   25.996   2.4450   23.130   1.3901 2.865574 2.812543 
1 1 1    9    9    5 o   53.675   0.8320  394.699   12.228  447.191   24.202  376.704   14.170   57.091   1.5481   52.431   0.9870 4.660221 1.835931 
1 1 1    9    9    6 o   38.608   0.8146  204.208   8.6120  201.429   14.203  205.824   10.830   38.324   1.3534   38.754   1.0205 -0.4296570 1.695024 
1 1 1    9    9    7 o   41.042   0.8976  230.806   10.088  230.544   20.754  230.887   11.543   40.968   1.8500   41.044   1.0270 -0.7668686E-01 2.115959 
1 1 1    9    9    8 o   32.834   1.0531  147.779   9.4684  121.163   24.185  152.597   10.290   29.455   3.0423   33.363   1.1263 -3.907669 3.244121 
1 1 1    9    9    9 o   66.755   0.9457  610.759   17.287  605.874   23.216  616.838   25.899   66.460   1.2757   67.045   1.4107 -0.5849152 1.901919 
1 1 1    9    9   10 o   47.953   1.1551  315.361   15.168  301.010   23.052  326.319   20.143   46.793   1.7990   48.750   1.5089 -1.956635 2.348014 
1 1 1    9    9   11 f   38.999   1.2393  208.682   13.234  227.208   22.286  198.590   16.449   40.623   2.0034   38.019   1.5800 2.604633 2.551448 
1 1 1    9    9   12 o   49.822   1.0014  340.393   13.663  328.339   19.165  352.852   19.484   48.893   1.4314   50.688   1.4037 -1.795353 2.004827 
1 1 1    9    9   13 o   13.929   3.4306   28.153   12.999   30.744   16.226   23.512   21.718   14.551   3.9644   13.536   4.7432 1.015323 6.181826 
1 1 1    9    9   14 o   31.133   1.5902  133.697   13.512  124.171   17.502  147.751   21.259   29.907   2.1515   32.585   2.3994 -2.678003 3.222750 
1 1 1    9    9   15 o   15.194   3.2666   33.506   13.187   39.720   17.368   25.048   20.263   16.450   3.9126   13.593   4.5880 2.857766 6.029798 
1 1 1    9    9   16 o   36.452   1.3810  182.783   13.785  191.952   22.188  177.019   17.592   37.161   2.1902   35.769   1.8019 1.391476 2.836119 
1 1 1    9    9   17 o   21.408   1.9864   64.029   11.512   84.278   17.481   48.524   15.297   24.412   2.6579   18.308   3.1658 6.104235 4.133585 
1 1 1    9    9   18 o   14.730   2.9961   31.808   11.674   49.578   18.982   21.000   14.804   18.157   3.9318   12.099   3.9158 6.057446 5.549070 
1 1 1    9    9   19 o   23.594   1.8169   78.056   11.649   82.764   17.628   74.406   15.520   23.956   2.7362   22.784   2.5303 1.171925 3.726825 
1 1 1    9    9   20 o   20.720   2.4489   62.312   13.626   83.820   17.965   33.182   20.908   23.873   2.8013   14.278   4.6557 9.595922 5.433528 
1 1 1    9    9   21 o   34.120   1.6809  164.348   15.706  159.192   23.562  168.471   21.069   32.777   2.6478   34.062   2.2718 -1.285557 3.488816 
1 1 1    9    9   22 o   10.245   3.3424   16.745   10.775   28.970   16.255   7.1620   14.391   12.887   4.0962   8.7139   3.6321 4.172766 5.474575 
1 1 1    9    9   23 o   14.089   3.3187   32.960   12.593   0.5925   23.370   46.206   14.950   9.2020   4.1950   16.708   3.3836 -7.505619 5.389528 
1 1 1    9   10    0 o  108.164   1.3435  1603.85   39.778  1603.85   39.778  1603.85   39.778  108.164   1.3435  108.164   1.3435 0.000000 0.000000 
1 1 1    9   10    1 o   64.309   0.8542  566.597   15.042  548.823   25.389  576.211   18.672   63.253   1.4658   64.841   1.0516 -1.588463 1.804032 
1 1 1    9   10    2 f   26.428   1.1013   95.733   7.9703   93.855   11.213   97.651   11.331   26.106   1.5760   26.632   1.5605 -0.5261650 2.217873 
1 1 1    9   10    3 o   34.537   1.1185  163.500   10.579  179.190   20.662  157.926   12.315   36.044   2.1026   33.935   1.3252 2.108646 2.485349 
1 1 1    9   10    4 o   37.859   0.9371  196.402   9.7147  228.869   21.093  187.661   10.945   40.818   1.8872   37.002   1.0802 3.815845 2.174427 
1 1 1    9   10    5 o   78.380   0.9210  841.828   19.767  803.348   34.799  860.157   24.017   76.497   1.6612   79.214   1.1072 -2.717110 1.996416 
1 1 1    9   10    6 o   95.956   1.0574  1262.12   27.784  1238.15   44.580  1277.34   35.529   94.952   1.7145   96.499   1.3445 -1.547028 2.178849 
1 1 1    9   10    7 o   89.790   0.9984  1105.07   24.548  1113.48   46.923  1101.90   28.805   90.002   1.9039   89.643   1.1734 0.3589630 2.236489 
1 1 1    9   10    8 o   67.408   0.8324  622.650   15.366  609.641   24.110  631.547   19.940   66.659   1.3209   67.870   1.0729 -1.210892 1.701694 
1 1 1    9   10    9 o   36.825   1.2090  186.023   12.191  179.784   21.427  189.010   14.825   36.060   2.1802   37.103   1.4591 -1.042889 2.623404 
1 1 1    9   10   10 o   19.437   2.7677   53.308   14.315   47.631   19.875   59.428   20.636   18.089   4.1063   20.302   3.8529 -2.212812 5.630839 
1 1 1    9   10   11 o   53.148   1.0285  387.386   14.969  391.711   20.543  382.491   21.857   53.405   1.4047   52.760   1.5129 0.6452293 2.064459 
1 1 1    9   10   12 o   43.464   1.1324  259.222   13.477  265.453   18.890  252.760   19.235   43.938   1.5700   42.867   1.6386 1.071438 2.269327 
1 1 1    9   10   13 o   25.411   1.8693   89.477   12.916   87.937   16.496   91.917   20.765   25.087   2.4318   25.517   3.0310 -0.4293003 3.885998 
1 1 1    9   10   14 o   16.333   2.6503   37.969   11.447   47.449   16.726   29.616   15.700   18.096   3.5020   14.250   3.9068 3.846023 5.246602 
1 1 1    9   10   15 o   7.5501   3.2964  -2.1600   12.877   4.7050   17.446 -10.3747   19.085   9.7431   4.0248   8.3818   3.8094 1.361324 5.541759 
1 1 1    9   10   16 o   42.264   1.3116  245.800   15.179  240.098   23.069  250.153   20.158   41.627   2.0237   42.558   1.7297 -0.9306030 2.662240 
1 1 1    9   10   17 o   44.040   1.1872  266.967   14.317  265.435   20.237  268.501   20.258   43.795   1.6874   44.049   1.6794 -0.2544403 2.380750 
1 1 1    9   10   18 o   26.645   1.5969   98.805   11.598  106.399   17.825   93.230   15.274   27.383   2.4014   25.696   2.1916 1.686447 3.251106 
1 1 1    9   10   19 f   34.043   1.3238  160.656   12.341  188.232   19.113  140.939   16.161   36.558   1.9159   31.640   1.8736 4.917904 2.679713 
1 1 1    9   10   20 o   15.707   3.0233   37.783   12.531   39.228   17.531   36.274   17.918   15.404   4.0882   14.743   4.2225 0.6610384 5.877322 
1 1 1    9   10   21 o   13.032   3.5894   28.104   13.217   27.680   16.684   28.820   21.659   12.691   4.1599   12.810   4.7058 -0.1191530 6.280905 
1 1 1    9   10   22 o   21.689   2.0457   69.028   12.007  110.838   17.348   30.592   16.634   27.246   2.3482   13.048   4.1432 14.19832 4.762369 
1 1 1    9   11    0 o   98.906   1.2936  1341.18   35.021  1341.18   35.021  1341.18   35.021   98.906   1.2936   98.906   1.2936 0.000000 0.000000 
1 1 1    9   11    1 o   46.130   0.7884  291.536   9.9585  281.071   15.322  299.189   13.103   45.274   1.2359   46.721   1.0242 -1.447533 1.605131 
1 1 1    9   11    2 f   43.552   0.7964  259.869   9.4976  268.987   15.128  253.938   12.202   44.289   1.2474   43.043   1.0352 1.246227 1.621016 
1 1 1    9   11    3 o   46.565   1.0076  297.196   12.848  298.338   22.918  296.673   15.516   46.602   1.7959   46.513   1.2182 0.8836365E-01 2.170062 
1 1 1    9   11    4 o   14.019   2.1282   27.644   7.9128   41.259   18.770   24.701   8.7261   16.876   4.1016   13.172   2.5110 3.704839 4.809196 
1 1 1    9   11    5 o   56.107   0.9461  431.460   14.536  422.565   31.951  433.782   16.323   55.415   2.1056   56.251   1.0597 -0.8356476 2.357183 
1 1 1    9   11    6 o   27.565   1.3544  104.265   10.223  131.596   24.150   98.298   11.284   30.714   2.9059   26.711   1.5494 4.002659 3.293128 
1 1 1    9   11    7 o   61.981   0.8278  526.457   14.050  525.940   23.040  526.764   17.728   61.905   1.3591   61.983   1.0445 -0.7855225E-01 1.714119 
1 1 1    9   11    8 o   70.433   0.9085  680.001   17.522  661.164   32.668  687.610   20.762   69.349   1.7203   70.810   1.0707 -1.461731 2.026257 
1 1 1    9   11    9 o   70.643   1.0032  684.305   19.406  602.765   33.528  725.382   23.797   66.183   1.8500   72.710   1.1952 -6.527390 2.202504 
1 1 1    9   11   10 o   54.561   0.9873  408.241   14.750  380.826   20.703  436.507   21.021   52.651   1.4359   56.379   1.3616 -3.727272 1.978855 
1 1 1    9   11   11 f   15.134   2.7143   32.703   10.836   36.639   15.606   29.039   15.056   15.864   3.6662   14.140   3.8048 1.723091 5.283699 
1 1 1    9   11   12 o   31.802   1.4315  139.028   12.466  129.890   17.261  148.991   18.023   30.605   2.0718   32.798   2.0166 -2.193005 2.891180 
1 1 1    9   11   13 o   15.518   3.0465   34.729   12.484   38.660   16.032   28.674   19.898   16.263   3.6852   14.238   4.5326 2.024824 5.841702 
1 1 1    9   11   14 o   32.236   1.3960  142.953   12.323  153.350   17.829  133.442   17.053   33.255   1.9666   31.002   2.0197 2.252512 2.818996 
1 1 1    9   11   15 o   36.330   1.4662  181.836   14.586  162.175   18.873  210.995   22.984   34.155   2.0270   38.935   2.1643 -4.779526 2.965252 
1 1 1    9   11   16 o   22.913   1.9811   73.431   12.308   71.989   21.815   74.105   14.907   22.114   3.7355   22.903   2.4132 -0.7894115 4.447176 
1 1 1    9   11   17 o   41.510   1.2717  237.775   14.456  237.710   21.725  237.826   19.365   41.299   1.9210   41.385   1.7087 -0.8611679E-01 2.571033 
1 1 1    9   11   18 o   31.498   1.3833  137.585   11.931  175.009   18.767  112.199   15.457   35.255   1.9516   28.179   2.0165 7.076401 2.806267 
1 1 1    9   11   19 o   27.552   1.5515  106.558   11.658  120.265   17.891   96.444   15.368   28.874   2.2813   25.894   2.1879 2.980291 3.160888 
1 1 1    9   11   20 o   11.748   3.5608   22.434   12.448   21.965   16.633   23.032   18.767   11.637   4.1439   11.895   4.3788 -0.2585859 6.028767 
1 1 1    9   11   21 o   13.898   3.1191   31.102   11.579   23.743   16.436   38.354   16.315   11.738   4.1256   14.839   3.9466 -3.100498 5.709355 
1 1 1    9   12    0 o   13.736   2.4069   28.166   8.2219   28.166   8.2219   28.166   8.2219   13.736   2.4069   13.736   2.4069 0.000000 0.000000 
1 1 1    9   12    1 o   75.242   0.9793  776.018   20.177  775.162   27.714  776.983   29.434   75.163   1.3465   75.241   1.4286 -0.7814789E-01 1.963130 
1 1 1    9   12    2 o   21.622   1.2209   64.329   7.1995   65.723   11.423   63.410   9.2730   21.775   1.9359   21.429   1.5916 0.3463097 2.506192 
1 1 1    9   12    3 o   24.581   1.5437   83.298   10.338   73.476   21.513   86.247   11.789   22.725   3.5752   24.992   1.7332 -2.267439 3.973140 
1 1 1    9   12    4 o   51.038   0.9680  357.079   13.529  417.483   30.806  342.646   15.059   55.072   2.0427   49.987   1.1001 5.085320 2.320126 
1 1 1    9   12    5 o   54.009   0.8833  399.802   13.064  396.167   26.145  401.012   15.082   53.678   1.7787   54.081   1.0184 -0.4037743 2.049595 
1 1 1    9   12    6 o   45.274   0.9483  280.998   11.756  249.370   23.421  291.652   13.593   42.555   2.0099   46.115   1.0764 -3.560066 2.279953 
1 1 1    9   12    7 o   32.207   1.0825  142.271   9.5473  167.244   22.492  136.783   10.544   34.724   2.3798   31.572   1.2196 3.152149 2.674094 
1 1 1    9   12    8 o   33.634   1.1145  155.195   10.265  141.486   23.498  158.428   11.411   31.847   2.7206   33.976   1.2265 -2.128828 2.984303 
1 1 1    9   12    9 o   21.144   1.4343   61.707   8.2552   72.674   15.767   57.565   9.6895   22.769   2.5739   20.377   1.7536 2.392849 3.114496 
1 1 1    9   12   10 o   54.134   0.9085  401.861   13.468  421.150   22.219  390.657   16.933   55.350   1.4659   53.348   1.1591 2.001266 1.868832 
1 1 1    9   12   11 o   37.008   1.2172  188.079   12.336  214.737   18.352  166.111   16.660   39.488   1.6972   34.679   1.7601 4.808788 2.445133 
1 1 1    9   12   12 o   10.593   3.3722   15.512   11.014   12.456   16.080   18.214   15.117   10.722   4.0324   11.697   3.9627 -0.9749794 5.653615 
1 1 1    9   12   13 o   13.897   3.2295   28.172   12.056   22.819   16.292   34.651   17.922   12.754   4.1058   15.322   4.1631 -2.567592 5.847190 
1 1 1    9   12   14 o   16.198   2.8558   37.802   12.204   47.555   16.700   26.620   17.880   18.029   3.5089   13.597   4.2933 4.431936 5.544791 
1 1 1    9   12   15 o   7.4469   3.1171   1.8790   10.662   10.461   16.196  -4.6863   14.166   10.271   3.9999   7.5538   3.3699 2.717134 5.230231 
1 1 1    9   12   16 o   7.5275   3.2041   0.9719   11.579  -7.3355   21.052   4.5752   13.865   8.9880   4.0510   8.7192   3.5935 0.2688189 5.415145 
1 1 1    9   12   17 o   9.2705   3.3435   11.153   10.861   16.152   17.553   8.0520   13.826   11.203   4.2132   9.1944   3.6602 2.009047 5.581042 
1 1 1    9   12   18 o   27.948   1.6437  109.873   12.524  113.276   17.581  106.368   17.844   28.021   2.3120   27.074   2.4328 0.9462643 3.356178 
1 1 1    9   12   19 o   9.1949   3.4084   11.636   11.407   1.1247   16.384   21.524   15.891   8.4024   3.6921   11.580   4.0574 -3.177085 5.485776 
1 1 1    9   12   20 o   19.021   2.7489   55.578   13.902   42.967   19.637   68.253   19.686   15.357   4.4267   20.304   3.6759 -4.947362 5.753945 
1 1 1    9   12   21 o   9.5581   3.3532   14.441   10.855   15.694   16.371   13.459   14.502   10.162   4.0025   9.6259   3.7748 0.5359974 5.501787 
1 1 1    9   13    0 o   13.064   2.5986   26.044   8.2552   26.044   8.2552   26.044   8.2552   13.064   2.5986   13.064   2.5986 0.000000 0.000000 
1 1 1    9   13    1 o   46.585   0.8381  297.429   10.692  299.203   17.603  296.392   13.458   46.684   1.3770   46.490   1.0572 0.1942825 1.735989 
1 1 1    9   13    2 o   44.108   0.8485  266.648   10.249  259.210   17.025  270.875   12.835   43.447   1.4310   44.444   1.0546 -0.9965477 1.777618 
1 1 1    9   13    3 o   56.652   1.1171  440.223   17.330  402.054   32.419  455.493   20.506   54.001   2.1923   57.607   1.2999 -3.606491 2.548734 
1 1 1    9   13    4 o   48.590   0.9786  323.724   13.021  259.951   28.624  340.363   14.621   43.316   2.4229   49.816   1.0718 -6.499577 2.649379 
1 1 1    9   13    5 o   39.497   1.0071  213.936   10.893  179.850   23.968  222.808   12.228   35.994   2.4463   40.301   1.1080 -4.307491 2.685531 
1 1 1    9   13    6 o   40.895   0.9900  229.349   11.087  254.413   24.611  222.968   12.418   42.952   2.0924   40.313   1.1249 2.639473 2.375653 
1 1 1    9   13    7 o   45.563   0.9821  284.719   12.253  265.967   25.757  290.204   13.931   43.898   2.1426   45.989   1.1062 -2.091118 2.411350 
1 1 1    9   13    8 o   8.0867   3.0234   6.9182   9.0136   3.0388   35.495   7.1856   9.3191   13.124   5.5985   8.2282   3.0746 4.895389 6.387199 
1 1 1    9   13    9 o   47.573   1.2040  310.763   15.685  282.252   27.890  323.953   18.970   45.178   2.2544   48.545   1.4270 -3.367016 2.668103 
1 1 1    9   13   10 o   28.324   1.1565  110.156   8.9699  118.166   16.272  106.659   10.751   29.179   2.0495   27.816   1.4161 1.362560 2.491139 
1 1 1    9   13   11 o   24.857   1.3126   85.173   8.9027   86.169   16.179   84.741   10.662   24.806   2.4123   24.756   1.5810 0.5013657E-01 2.884250 
1 1 1    9   13   12 o   15.891   2.7149   36.180   11.390   37.488   16.544   35.001   15.705   15.934   3.8374   15.407   3.7564 0.5266218 5.369907 
1 1 1    9   13   13 o   48.681   1.1662  325.860   15.546  346.729   22.039  305.192   21.933   50.120   1.6058   46.998   1.7042 3.121704 2.341577 
1 1 1    9   13   14 o   38.309   1.4753  202.658   15.476  184.804   18.416  245.579   28.554   36.448   1.8512   41.767   2.5082 -5.318371 3.117381 
1 1 1    9   13   15 o   7.4355   3.0853   2.6483   10.318   5.7246   15.369   0.1244   13.921   9.2380   3.7926   8.0535   3.4721 1.184526 5.141933 
1 1 1    9   13   16 o   16.739   2.4599   40.645   10.939   38.503   16.003   42.524   14.987   15.759   3.7608   16.745   3.3848 -0.9855957 5.059668 
1 1 1    9   13   17 o   28.109   1.6914  111.317   12.958  148.755   19.223   80.135   17.544   32.211   2.1924   23.251   2.8126 8.959461 3.566115 
1 1 1    9   13   18 o   14.491   2.7740   32.100   10.607   32.075   16.285   32.119   13.979   13.796   4.0472   14.035   3.6151 -0.2393017 5.426718 
1 1 1    9   13   19 o   13.342   3.0700   28.427   10.983   49.381   16.344   11.173   14.831   17.317   3.5654   9.4199   3.7770 7.896770 5.194074 
1 1 1    9   13   20 o   6.2920   2.9313  -7.3091   12.328 -26.6706   18.942   6.9215   16.239   6.4957   3.1791   8.8545   3.7823 -2.358776 4.940859 
1 1 1    9   14    0 o   29.268   1.3093  118.153   10.446  118.153   10.446  118.153   10.446   29.268   1.3093   29.268   1.3093 0.000000 0.000000 
1 1 1    9   14    1 o   40.754   1.4808  228.238   16.526  314.011   27.797  181.348   20.552   47.710   2.1276   36.205   2.0818 11.50564 2.976704 
1 1 1    9   14    2 o   63.007   0.8959  544.290   15.458  558.795   24.639  534.875   19.851   63.778   1.4108   62.431   1.1611 1.346291 1.827190 
1 1 1    9   14    3 o   69.366   0.9953  659.931   18.905  680.467   36.350  652.316   22.134   70.281   1.8888   68.942   1.1724 1.338936 2.223059 
1 1 1    9   14    4 o   69.902   1.1047  670.484   21.146  666.616   35.763  672.563   26.220   69.557   1.8776   69.970   1.3685 -0.4124527 2.323375 
1 1 1    9   14    5 o   14.711   2.2681   30.592   8.8430   50.397   22.078   26.808   9.6509   18.497   4.4193   13.674   2.6732 4.823202 5.164937 
1 1 1    9   14    6 o   44.528   0.9934  271.986   12.113  264.969   26.710  273.803   13.591   43.725   2.2383   44.666   1.1112 -0.9402313 2.498920 
1 1 1    9   14    7 o   21.693   1.5635   65.085   9.2258   40.507   23.033   69.782   10.069   16.609   4.7963   22.454   1.6491 -5.845634 5.071849 
1 1 1    9   14    8 o   39.740   1.1007  216.789   11.978  201.595   36.909  218.578   12.663   37.691   3.6206   39.898   1.1590 -2.207111 3.801552 
1 1 1    9   14    9 f   53.820   0.9168  397.372   13.512  452.900   26.018  376.863   15.812   57.332   1.6572   52.390   1.1022 4.941261 1.990282 
1 1 1    9   14   10 o   34.801   1.0493  166.293   9.9994  148.634   17.008  175.622   12.361   32.742   1.9052   35.742   1.2630 -2.999439 2.285803 
1 1 1    9   14   11 f   46.811   0.9073  300.746   11.630  275.672   19.124  315.464   14.651   44.711   1.5619   47.913   1.1167 -3.201450 1.920079 
1 1 1    9   14   12 o   39.691   1.2315  216.834   13.385  219.817   18.371  213.458   19.541   39.873   1.6825   39.260   1.8176 0.6128502 2.476798 
1 1 1    9   14   13 o   22.267   2.0129   69.601   12.141   69.713   16.233   69.458   18.290   22.056   2.7473   21.868   3.1447 0.1874599 4.175762 
1 1 1    9   14   14 o   19.808   2.0135   55.426   10.770   64.026   16.031   48.352   14.540   20.997   2.8627   18.136   3.0350 2.861038 4.172081 
1 1 1    9   14   15 o   11.018   3.2824   18.262   10.645   36.385   15.781   3.1312   14.419   15.265   3.7921   8.5039   3.5956 6.761497 5.225754 
1 1 1    9   14   16 o   22.333   1.7800   70.699   10.795   90.271   17.335   58.300   13.797   24.807   2.5900   19.888   2.5953 4.919640 3.666562 
1 1 1    9   14   17 o   25.185   1.7525   90.375   12.010   89.972   16.638   90.813   17.355   24.643   2.5002   24.678   2.6077 -0.3557205E-01 3.612633 
1 1 1    9   14   18 o   19.975   2.1603   58.729   11.628   78.363   18.473   45.842   14.966   22.338   3.1038   16.818   3.3671 5.520355 4.579428 
1 1 1    9   14   19 o   8.0145   3.1773   7.6844   10.379   5.5219   15.491   9.4457   13.980   8.5492   3.6741   8.8992   3.6311 -0.3500195 5.165630 
1 1 1    9   15    0 o   17.046   3.0106   43.605   12.745   43.605   12.745   43.605   12.745   17.046   3.0106   17.046   3.0106 0.000000 0.000000 
1 1 1    9   15    1 o   23.068   1.2652   73.308   7.9614   81.682   13.465   68.806   9.8720   24.241   2.0476   22.301   1.6278 1.940212 2.615787 
1 1 1    9   15    2 o   33.524   0.9756  154.172   8.9561  151.944   14.640  155.504   11.322   33.227   1.6090   33.650   1.2287 -0.4229546 2.024464 
1 1 1    9   15    3 o   44.537   1.0000  272.135   12.195  240.019   25.528  281.632   13.882   41.596   2.2495   45.296   1.1192 -3.699604 2.512576 
1 1 1    9   15    4 o   60.964   1.3168  510.698   21.983  467.623   32.608  546.583   29.763   58.189   2.0464   62.989   1.7255 -4.799564 2.676801 
1 1 1    9   15    5 o   30.433   1.3513  127.302   11.261  142.101   24.451  123.318   12.687   31.823   2.8355   29.894   1.5552 1.929140 3.234044 
1 1 1    9   15    6 o   36.398   1.2521  182.034   12.480  148.233   24.259  194.198   14.553   32.515   2.7504   37.576   1.4144 -5.060787 3.092717 
1 1 1    9   15    7 o   22.938   1.8294   73.069   11.395   48.240   21.559   82.696   13.424   18.010   4.4073   24.373   2.0297 -6.363363 4.852262 
1 1 1    9   15    8 o   22.468   1.8768   70.229   11.441   42.295   21.311   81.540   13.561   16.834   4.5255   24.183   2.0678 -7.349018 4.975533 
1 1 1    9   15    9 o   45.999   1.0556  290.664   13.297  310.431   27.665  284.726   15.163   47.299   2.1359   45.503   1.2169 1.796036 2.458281 
1 1 1    9   15   10 o   17.711   1.8440   43.891   8.8118   40.327   14.258   46.093   11.209   16.606   3.2517   18.044   2.3224 -1.437849 3.995837 
1 1 1    9   15   11 o   8.0339   2.8291   8.1408   7.7318   8.6853   13.737   7.8883   9.3542   9.4438   3.6821   8.3207   3.0861 1.123072 4.804355 
1 1 1    9   15   12 f   14.619   2.2253   30.602   8.6272   15.567   13.878   40.070   11.014   10.768   3.7905   16.690   2.4857 -5.922194 4.532845 
1 1 1    9   15   13 o   37.719   1.1236  196.320   11.605  173.910   18.675  210.420   14.813   35.179   1.9461   38.971   1.3881 -3.791470 2.390450 
1 1 1    9   15   14 o   39.584   1.2929  217.373   14.015  222.544   22.400  214.047   17.965   39.599   2.0730   39.105   1.6776 0.4935265 2.666772 
1 1 1    9   15   15 f   20.391   1.9787   59.651   10.910   79.354   19.256   50.337   13.240   22.800   3.1700   18.353   2.7165 4.447578 4.174682 
1 1 1    9   15   16 o   8.2554   3.2020   8.1840   10.346   11.659   15.310   5.2626   14.037   9.6712   3.8511   8.4463   3.5581 1.224906 5.243206 
1 1 1    9   15   17 o   9.3104   3.2415   13.232   10.135   7.4940   15.417   17.598   13.449   8.9051   3.7390   10.483   3.7270 -1.577990 5.279234 
1 1 1    9   15   18 o   14.335   2.7726   32.317   10.490   34.638   15.635   30.418   14.146   13.982   3.9236   13.227   3.7393 0.7545271 5.420015 
1 1 1    9   16    0 o   85.082   1.6202  995.261   37.718  995.261   37.718  995.261   37.718   85.082   1.6202   85.082   1.6202 0.000000 0.000000 
1 1 1    9   16    1 o   29.902   1.0494  122.739   8.5929  140.913   14.564  113.034   10.643   31.933   1.6713   28.671   1.3556 3.262342 2.151957 
1 1 1    9   16    2 o   50.899   1.2286  355.991   17.124  248.342   39.799  380.445   18.969   41.843   3.5058   52.604   1.3169 -10.76054 3.744955 
1 1 1    9   16    3 o   65.303   0.9652  585.222   17.260  624.912   27.532  559.521   22.155   67.374   1.4923   63.800   1.2681 3.574043 1.958326 
1 1 1    9   16    4 o   32.949   1.7300  150.186   15.554  135.794   23.307  161.744   20.886   31.073   2.7681   34.078   2.2509 -3.005255 3.567797 
1 1 1    9   16    5 o   53.824   1.0623  397.866   15.657   98.175   31.150  499.179   18.111   25.727   4.5900   60.282   1.0972 -34.55574 4.719342 
1 1 1    9   16    6 o   36.212   1.1680  180.257   11.582  -0.8483   24.232  233.873   13.185   10.508   4.5556   41.247   1.1673 -30.73918 4.702738 
1 1 1    9   16    7 o   7.8148   2.9466   6.4334   8.5969   0.5766   16.449   8.6344   10.084   8.8780   3.7999   8.6940   3.2082 0.1840067 4.973079 
1 1 1    9   16    8 o   35.335   1.1483  171.766   11.111   58.382   26.912  195.066   12.200   19.427   5.0220   37.650   1.1833 -18.22301 5.159514 
1 1 1    9   16    9 o   43.862   1.1721  264.938   14.078  239.838   26.160  275.171   16.703   41.327   2.3210   44.656   1.3660 -3.328362 2.693083 
1 1 1    9   16   10 o   16.321   2.5921   38.502   11.198   51.757   20.420   32.802   13.391   18.362   4.1577   14.799   3.3786 3.563084 5.357365 
1 1 1    9   16   11 o   12.615   2.2350   23.045   7.4384   28.707   12.186   19.682   9.3908   13.791   3.2755   11.480   2.9661 2.310559 4.418897 
1 1 1    9   16   12 o   21.063   2.4557   64.146   13.898   87.349   19.487   40.127   19.826   24.332   2.9874   15.750   4.4178 8.582150 5.333086 
1 1 1    9   16   13 o   16.539   1.8808   39.104   8.3665   39.091   15.081   39.109   10.056   15.744   3.5793   16.372   2.3070 -0.6279545 4.258315 
1 1 1    9   16   14 o   9.0326   2.8854   12.215   8.0583   24.474   14.020   6.1669   9.8472   12.264   3.7908   7.7790   3.0914 4.484584 4.891552 
1 1 1    9   16   15 o   6.9426   2.9707   1.8252   10.049 -10.7820   17.128   8.4425   12.409   7.2851   3.4139   8.6334   3.4573 -1.348331 4.858761 
1 1 1    9   16   16 o   6.2861   2.8047  -1.5833   9.8163  -6.4022   14.985   2.0390   12.992   7.1054   3.2830   7.6344   3.3227 -0.5289927 4.671029 
1 1 1    9   17    0 o   56.406   1.4400  437.893   22.210  437.893   22.210  437.893   22.210   56.406   1.4400   56.406   1.4400 0.000000 0.000000 
1 1 1    9   17    1 o   26.229   1.2522   94.663   8.9936   97.326   15.974   93.426   10.882   26.364   2.2336   25.981   1.5364 0.3838196 2.711012 
1 1 1    9   17    2 o   31.835   1.0749  139.281   9.3705  123.708   14.415  150.679   12.332   29.857   1.7710   33.075   1.3615 -3.218273 2.233888 
1 1 1    9   17    3 o   34.379   1.1487  162.538   10.814   59.315   26.593  182.987   11.836   19.659   4.9446   36.472   1.1851 -16.81315 5.084660 
1 1 1    9   17    4 o   26.234   1.5594   95.369   11.152   62.643   17.897  116.141   14.258   20.782   3.2514   28.902   1.8107 -8.119661 3.721572 
1 1 1    9   17    5 o   24.263   1.3703   81.438   9.0667   56.102   17.540   90.676   10.592   19.565   3.3971   25.577   1.5191 -6.012180 3.721274 
1 1 1    9   17    6 o   31.121   1.1493  133.350   9.7946   54.830   17.462  169.395   11.831   19.286   3.4321   35.061   1.2323 -15.77469 3.646652 
1 1 1    9   17    7 o   23.764   1.3880   78.285   8.9931   34.026   17.265   94.765   10.535   14.928   4.0985   26.133   1.4782 -11.20552 4.356983 
1 1 1    9   17    8 o   35.427   1.0718  172.900   10.398   72.158   17.696  226.017   12.850   22.266   2.9769   40.484   1.1591 -18.21796 3.194618 
1 1 1    9   17    9 o   21.639   1.4154   65.192   8.3409   22.532   14.247   87.437   10.288   12.218   3.8288   25.048   1.5070 -12.82988 4.114643 
1 1 1    9   17   10 o   15.385   1.9390   33.791   7.9875   1.7581   13.465   51.182   9.9216   8.0495   3.4414   18.981   1.9359 -10.93168 3.948582 
1 1 1    9   17   11 o   22.068   1.8542   69.181   11.101   50.519   16.696   83.968   14.862   18.004   3.5127   24.114   2.2777 -6.109612 4.186486 
1 1 1    9   17   12 o   24.314   2.8579   88.835   18.665   0.0000   0.0000   88.835   18.665  ?   ?    24.314   2.8579 0.000000 2.857939 
1 1 1    9   17   13 o   16.060   1.9069   37.370   8.2221   10.014   14.211   51.134   10.081   9.2256   3.6979   18.772   1.9914 -9.546736 4.200063 
1 1 1    9   17   14 o   29.519   1.3428  122.361   10.855  158.532   18.394  103.036   13.445   33.010   2.0450   26.738   1.8477 6.272028 2.756083 
1 1 1    9   17   15 o   28.968   1.3570  118.197   10.765  118.968   22.241  117.962   12.301   27.513   3.0007   28.768   1.5675 -1.254972 3.385441 
1 1 1    9   18    0 o   31.322   2.4028  138.467   20.330  138.467   20.330  138.467   20.330   31.322   2.4028   31.322   2.4028 0.000000 0.000000 
1 1 1    9   18    1 o   36.003   1.4788  179.327   14.579  145.335   22.255  204.880   19.296   31.990   2.5620   38.375   1.8362 -6.385309 3.152036 
1 1 1    9   18    2 o   40.482   0.9959  225.477   11.040  150.156   19.575  260.607   13.369   32.662   2.2015   43.494   1.1225 -10.83210 2.471191 
1 1 1    9   18    3 o   24.510   1.3612   83.281   9.1003   39.684   17.622   99.135   10.627   16.077   4.0148   26.725   1.4576 -10.64769 4.271229 
1 1 1    9   18    4 o   37.317   1.1463  192.035   11.713   39.667   25.199  234.030   13.230   15.849   5.1067   41.189   1.1729 -25.34028 5.239681 
1 1 1    9   18    5 f   24.313   1.4085   82.153   9.3370   58.346   19.807   88.955   10.587   19.537   3.8392   25.268   1.5374 -5.730986 4.135622 
1 1 1    9   18    6 o   12.630   2.6317   23.594   8.8064   33.819   16.835   19.742   10.333   14.683   4.0538   11.446   3.1818 3.236854 5.153381 
1 1 1    9   18    7 o   20.447   1.7781   58.983   9.8569   7.4663   25.864   67.736   10.661   11.138   4.7660   21.917   1.7921 -10.77846 5.091804 
1 1 1    9   18    8 o   7.9369   3.0648   6.8547   9.4458 -14.0447   26.172   9.9848   10.128   9.1900   4.2779   8.7916   3.2198 0.3983688 5.354233 
1 1 1    9   18    9 o   19.815   1.4712   55.170   7.9260   32.371   12.925   68.910   10.034   14.368   3.3472   22.079   1.6721 -7.710217 3.741597 
1 1 1    9   18   10 o   17.945   1.7934   46.063   8.6946   31.934   13.000   57.497   11.695   14.147   3.3983   19.873   2.1852 -5.725384 4.040228 
1 1 1    9   18   11 o   22.490   1.4670   71.420   8.9854   19.852   15.305   98.543   11.100   11.143   3.9743   26.391   1.5426 -15.24843 4.263176 
1 1 1    9   18   12 o   10.273   2.9663   16.729   8.8105   4.1687   15.521   22.700   10.702   8.4836   3.6618   11.828   3.2184 -3.344264 4.875147 
1 1 1    9   18   13 o   22.633   1.4352   72.609   8.8489   74.592   17.426   71.920   10.272   21.766   3.0038   22.380   1.6885 -0.6139984 3.445837 
1 1 1    9   19    0 o   14.977   5.2826   43.024   19.679   43.024   19.679   43.024   19.679   14.977   5.2826   14.977   5.2826 0.000000 0.000000 
1 1 1    9   19    1 o   5.8441   2.5412  -0.6317   7.5863  -8.0475   15.439   1.7288   8.7104   7.3631   3.3766   6.6853   2.8089 0.6777582 4.392181 
1 1 1    9   19    2 o   15.938   1.9583   36.314   8.3667   14.720   16.147   44.240   9.7823   10.655   4.0332   17.571   2.0731 -6.915794 4.534812 
1 1 1    9   19    3 o   25.225   1.2105   88.171   8.3616   83.123   13.426   91.370   10.687   24.148   2.0498   25.543   1.5351 -1.395258 2.560876 
1 1 1    9   19    4 o   8.3327   2.9809   9.2063   8.6160   13.493   16.413   7.5754   10.123   10.403   4.0334   8.2286   3.1740 2.173993 5.132535 
1 1 1    9   19    5 o   33.655   1.4720  158.240   13.565  180.107   24.392  148.447   16.323   35.133   2.5528   32.363   1.8495 2.769665 3.152378 
1 1 1    9   19    6 o   30.127   1.1811  126.045   9.7440   98.054   17.380  138.875   11.767   25.859   2.4850   31.550   1.3620 -5.690248 2.833817 
1 1 1    9   19    7 o   6.6218   2.7713   2.3378   8.4264 -10.8554   15.859   7.5270   9.9464   7.0527   3.2986   8.0857   3.1386 -1.033012 4.553199 
1 1 1    9   19    8 o   13.239   2.6431   26.782   9.2465   10.319   19.915   31.306   10.440   10.090   4.2437   14.272   2.7712 -4.181718 5.068426 
1 1 1    9   19    9 o   10.595   2.7168   17.485   7.9199   30.305   16.493   13.644   9.0289   13.212   4.1161   9.4056   3.0591 3.806364 5.128448 
1 1 1    9   19   10 f   15.386   2.1017   34.982   8.6236   29.074   21.684   36.092   9.3988   12.650   4.6973   15.538   2.2765 -2.888066 5.219863 
1 1 1    9   19   11 o   21.067   1.3773   62.790   7.9020   45.854   13.591   71.438   9.7122   16.972   3.0359   22.355   1.5971 -5.383570 3.430328 
1 1 1    9   20    0 o   8.4041   4.6795   15.809   15.978   15.809   15.978   15.809   15.978   8.4041   4.6795   8.4041   4.6795 0.000000 0.000000 
1 1 1    9   20    1 o   8.2217   3.2366   7.5789   10.699   5.5468   14.487   10.017   15.869   8.6119   3.6206   9.5305   3.8764 -0.9186420 5.304261 
1 1 1    9   20    2 o   18.150   1.6454   46.906   8.0892   34.741   12.351   56.043   10.705   14.865   3.1329   19.671   2.0157 -4.805923 3.725335 
1 1 1    9   20    3 o   15.107   2.4678   34.250   9.8564   11.175   15.610   49.548   12.710   9.6360   3.8710   18.122   2.6388 -8.485641 4.684888 
1 1 1    9   20    4 o   8.6663   2.9025   11.158   8.1090   6.9806   15.579   12.710   9.4970   8.9578   3.7597   9.2025   3.1408 -0.2447691 4.898938 
1 1 1    9   20    5 o   5.0028   2.3400  -6.5209   7.9831 -36.7719   17.853   1.0393   8.9251   5.8161   2.8904   6.4774   2.7864 -0.6613765 4.014737 
1 1 1    9   20    6 o   15.537   1.5965   34.542   6.6960   3.8604   15.930   41.126   7.3795   8.5235   3.6944   16.961   1.6081 -8.437323 4.029196 
1 1 1    9   20    7 o   5.5313   2.6425 -12.0944   11.239  -2.5830   15.727 -22.0217   16.068   7.6804   3.4778   6.1391   2.9878 1.541292 4.584960 
1 1 1    9   20    8 o   9.3169   3.6637   11.907   13.696   21.993   24.542   7.3450   16.505   11.599   4.7809   8.9870   3.8253 2.612256 6.122886 
1 1 1    9   20    9 o   13.215   3.5833   29.859   13.294   13.351   20.971   40.950   17.189   10.236   4.3326   15.110   4.0652 -4.873380 5.941144 
1 1 1    9   21    0 o   18.262   2.5893   50.386   12.197   50.386   12.197   50.386   12.197   18.262   2.5893   18.262   2.5893 0.000000 0.000000 
1 1 1    9   21    1 o   12.322   2.9338   24.258   9.7572   48.758   15.581   8.4508   12.515   17.224   3.4242   8.5505   3.4551 8.673096 4.864391 
1 1 1    9   21    2 o   17.833   1.7083   45.836   8.2403   63.094   13.573   35.763   10.370   20.425   2.4775   15.260   2.5731 5.164290 3.571949 
1 1 1    9   21    3 o   33.467   1.1346  156.410   10.398  171.695   22.701  152.352   11.698   33.788   2.4706   32.932   1.2971 0.8560219 2.790449 
1 1 1    9   21    4 o   9.1898   3.2386   13.011   10.133   10.773   13.821   15.614   14.902   9.1076   3.6481   10.072   3.8597 -0.9644651 5.310969 
1 1 1   10    0    0 o   14.454   4.2516   35.168   14.623   35.168   14.623   35.168   14.623   14.454   4.2516   14.454   4.2516 0.000000 0.000000 
1 1 1   10    0    1 o   41.458   1.2564  236.091   14.234  236.091   14.234  236.091   14.234   41.458   1.2564   41.458   1.2564 0.000000 0.000000 
1 1 1   10    0    2 o   47.015   1.0128  303.167   13.025  303.167   13.025  303.167   13.025   47.015   1.0128   47.015   1.0128 0.000000 0.000000 
1 1 1   10    0    3 o   57.702   1.0095  456.446   15.940  456.446   15.940  456.446   15.940   57.702   1.0095   57.702   1.0095 0.000000 0.000000 
1 1 1   10    0    4 o   95.884   1.1979  1260.03   31.443  1260.03   31.443  1260.03   31.443   95.884   1.1979   95.884   1.1979 0.000000 0.000000 
1 1 1   10    0    5 o   77.252   1.4516  818.613   30.684  818.613   30.684  818.613   30.684   77.252   1.4516   77.252   1.4516 0.000000 0.000000 
1 1 1   10    0    6 o  168.897   1.9081  3912.70   88.224  3912.70   88.224  3912.70   88.224  168.897   1.9081  168.897   1.9081 0.000000 0.000000 
1 1 1   10    0    7 o   41.398   2.4668  237.701   27.737  237.701   27.737  237.701   27.737   41.398   2.4668   41.398   2.4668 0.000000 0.000000 
1 1 1   10    0    8 o  127.347   1.5881  2223.83   55.360  2223.83   55.360  2223.83   55.360  127.347   1.5881  127.347   1.5881 0.000000 0.000000 
1 1 1   10    0    9 o  125.973   1.6463  2176.57   56.769  2176.57   56.769  2176.57   56.769  125.973   1.6463  125.973   1.6463 0.000000 0.000000 
1 1 1   10    0   10 o   14.130   5.2647   37.058   18.960   37.058   18.960   37.058   18.960   14.130   5.2647   14.130   5.2647 0.000000 0.000000 
1 1 1   10    0   11 o   6.9296   4.1878   6.4031   14.579   6.4031   14.579   6.4031   14.579   6.9296   4.1878   6.9296   4.1878 0.000000 0.000000 
1 1 1   10    0   12 o   39.498   1.5749  214.952   16.973  214.952   16.973  214.952   16.973   39.498   1.5749   39.498   1.5749 0.000000 0.000000 
1 1 1   10    0   13 o   11.497   5.0476   26.339   16.612   26.339   16.612   26.339   16.612   11.497   5.0476   11.497   5.0476 0.000000 0.000000 
1 1 1   10    0   14 o   28.853   2.1241  116.229   16.574  116.229   16.574  116.229   16.574   28.853   2.1241   28.853   2.1241 0.000000 0.000000 
1 1 1   10    0   15 o   32.362   2.4279  146.551   21.237  146.551   21.237  146.551   21.237   32.362   2.4279   32.362   2.4279 0.000000 0.000000 
1 1 1   10    0   16 o   16.723   4.6087   46.651   18.251   46.651   18.251   46.651   18.251   16.723   4.6087   16.723   4.6087 0.000000 0.000000 
1 1 1   10    0   17 o   38.896   2.0105  209.765   21.283  209.765   21.283  209.765   21.283   38.896   2.0105   38.896   2.0105 0.000000 0.000000 
1 1 1   10    0   18 o   7.1974   4.5094   4.5609   18.386   4.5609   18.386   4.5609   18.386   7.1974   4.5094   7.1974   4.5094 0.000000 0.000000 
1 1 1   10    0   19 o   8.5513   4.8961   13.784   18.134   13.784   18.134   13.784   18.134   8.5513   4.8961   8.5513   4.8961 0.000000 0.000000 
1 1 1   10    0   20 o   5.0030   3.5808 -33.4458   22.644 -33.4458   22.644 -33.4458   22.644   5.0030   3.5808   5.0030   3.5808 0.000000 0.000000 
1 1 1   10    0   21 o   9.7414   4.9042   20.837   16.139   20.837   16.139   20.837   16.139   9.7414   4.9042   9.7414   4.9042 0.000000 0.000000 
1 1 1   10    0   22 o   18.032   4.1628   54.146   17.889   54.146   17.889   54.146   17.889   18.032   4.1628   18.032   4.1628 0.000000 0.000000 
1 1 1   10    0   23 o   4.0488   2.8986 -20.8204   14.875 -20.8204   14.875 -20.8204   14.875   4.0488   2.8986   4.0488   2.8986 0.000000 0.000000 
1 1 1   10    0   24 o   26.404   2.2794  101.564   16.199  101.564   16.199  101.564   16.199   26.404   2.2794   26.404   2.2794 0.000000 0.000000 
1 1 1   10    1    0 o   91.779   1.6174  1155.33   40.620  1155.33   40.620  1155.33   40.620   91.779   1.6174   91.779   1.6174 0.000000 0.000000 
1 1 1   10    1    1 o   38.654   0.9368  204.691   9.9161  197.234   13.985  212.230   14.063   37.933   1.3463   39.350   1.3051 -1.417000 1.875051 
1 1 1   10    1    2 o   61.533   1.5399  519.206   25.948  519.564   37.871  518.890   35.623   61.501   2.2487   61.472   2.1162 0.2840424E-01 3.087905 
1 1 1   10    1    3 o   23.150   1.0241   73.428   6.4922   72.232   9.0726   74.683   9.2942   22.906   1.4539   23.292   1.4646 -0.3861084 2.063764 
1 1 1   10    1    4 o   90.731   0.8222  1127.68   20.427  1115.23   28.571  1140.70   29.216   90.208   1.1566   91.231   1.1695 -1.023178 1.644817 
1 1 1   10    1    5 o   20.947   1.2735   60.368   7.2702   52.624   11.687   65.257   9.2856   19.442   2.2359   21.755   1.5692 -2.313496 2.731611 
1 1 1   10    1    6 o   35.804   1.0378  175.663   10.175  161.969   13.844  191.753   15.006   34.366   1.4711   37.392   1.4655 -3.026672 2.076500 
1 1 1   10    1    7 o   59.405   0.8986  483.491   14.618  488.568   19.823  477.439   21.641   59.700   1.2126   59.009   1.3393 0.6914940 1.806679 
1 1 1   10    1    8 o   82.378   0.9141  929.790   20.620  921.391   28.700  938.750   29.646   81.977   1.2785   82.743   1.3084 -0.7659225 1.829338 
1 1 1   10    1    9 o   49.839   1.2897  340.613   17.601  316.967   21.253  392.241   31.404   48.057   1.6150   53.411   2.1472 -5.353813 2.686756 
1 1 1   10    1   10 f   53.089   1.1292  386.390   16.416  411.135   23.613  363.243   22.838   54.730   1.5756   51.440   1.6213 3.290054 2.260739 
1 1 1   10    1   11 o   55.011   1.0297  414.819   15.511  404.081   19.826  431.762   24.903   54.272   1.3340   56.074   1.6218 -1.801853 2.099961 
1 1 1   10    1   12 o   93.192   1.0990  1190.89   28.046  1126.68   40.048  1252.69   39.288   90.566   1.6148   95.517   1.5021 -4.951012 2.205422 
1 1 1   10    1   13 o   31.474   1.4185  136.020   12.226  151.673   17.267  120.285   17.313   33.143   1.9107   29.465   2.1608 3.678211 2.884419 
1 1 1   10    1   14 o   63.048   1.0298  545.181   17.779  554.245   26.749  538.008   23.796   63.503   1.5382   62.588   1.3884 0.9151649 2.072192 
1 1 1   10    1   15 o   39.665   1.3517  216.134   14.682  209.315   23.115  220.745   19.008   38.871   2.1804   40.043   1.7335 -1.171745 2.785553 
1 1 1   10    1   16 o   66.694   1.0688  610.452   19.520  610.974   26.327  609.814   29.088   66.658   1.4423   66.563   1.5959 0.9525299E-01 2.151082 
1 1 1   10    1   17 o   40.182   1.3293  221.993   14.627  236.676   20.992  208.138   20.391   41.409   1.8513   38.821   1.9182 2.588142 2.665841 
1 1 1   10    1   18 o   19.079   2.5977   51.668   13.218   50.802   18.368   52.597   19.037   18.595   3.7369   18.907   3.8086 -0.3119640 5.335680 
1 1 1   10    1   19 o   36.723   1.4083  186.002   14.162  174.197   19.904  198.105   20.154   35.333   2.0661   37.723   1.9578 -2.389408 2.846378 
1 1 1   10    1   20 o   13.222   3.6517   26.416   13.658   38.223   18.494   12.250   20.258   15.720   4.2114   11.119   4.4292 4.600951 6.111756 
1 1 1   10    1   21 o   24.855   1.7704   86.966   11.971  104.572   16.963   69.500   16.896   27.013   2.3155   21.695   2.9180 5.318438 3.725087 
1 1 1   10    1   22 o   12.135   3.3225   23.340   11.364   14.350   16.122   32.217   16.021   10.347   4.0015   13.929   3.9936 -3.582438 5.653401 
1 1 1   10    1   23 o   28.894   1.5548  118.503   12.256  112.790   18.670  122.830   16.248   27.421   2.5144   29.039   2.0566 -1.617491 3.248341 
1 1 1   10    1   24 o   6.3786   2.9427  -5.3675   11.971   7.1601   17.317 -16.8332   16.567   8.9893   3.8741   6.5416   3.1469 2.447760 4.991138 
1 1 1   10    2    0 o  117.542   2.1935  1896.61   70.548  1896.61   70.548  1896.61   70.548  117.542   2.1935  117.542   2.1935 0.000000 0.000000 
1 1 1   10    2    1 o   85.343   1.1181  998.038   26.130  1014.95   37.365  981.851   36.555   86.027   1.5862   84.613   1.5777 1.413681 2.237179 
1 1 1   10    2    2 o   75.109   1.1279  773.078   23.197  785.079   32.056  759.884   33.611   75.661   1.5472   74.429   1.6491 1.232162 2.261284 
1 1 1   10    2    3 o   96.351   0.9093  1271.82   23.992  1294.60   33.445  1247.67   34.438   97.184   1.2567   95.401   1.3182 1.783081 1.821300 
1 1 1   10    2    4 o   54.393   0.8703  405.305   12.962  387.886   18.325  422.749   18.338   53.195   1.2580   55.537   1.2058 -2.341785 1.742592 
1 1 1   10    2    5 o   92.978   0.9035  1184.36   23.004  1162.05   35.485  1200.54   30.213   92.057   1.4077   93.590   1.1789 -1.533279 1.836103 
1 1 1   10    2    6 o   80.344   0.8890  884.375   19.559  908.159   28.563  863.376   26.839   81.390   1.2816   79.362   1.2350 2.028488 1.779776 
1 1 1   10    2    7 o   23.504   1.3518   76.003   8.6641   69.531   12.340   82.295   12.168   22.406   2.0333   24.415   1.8334 -2.008440 2.737813 
1 1 1   10    2    8 o   76.692   0.9892  805.974   20.773  750.929   31.005  850.812   27.983   73.983   1.5304   78.772   1.2973 -4.789070 2.006257 
1 1 1   10    2    9 o   17.730   1.8894   43.670   9.0321   41.144   13.087   45.967   12.481   17.035   2.9101   18.085   2.5944 -1.050777 3.898715 
1 1 1   10    2   10 o   91.938   1.0891  1158.71   27.420  1187.63   42.297  1137.74   36.012   93.005   1.6608   91.061   1.4442 1.943634 2.200881 
1 1 1   10    2   11 o   51.352   1.1029  361.554   15.509  372.440   21.076  348.699   22.903   52.091   1.4775   50.387   1.6599 1.703800 2.222228 
1 1 1   10    2   12 o   68.276   0.9427  638.991   17.626  635.068   24.940  642.906   24.914   68.027   1.3388   68.447   1.3292 -0.4196167 1.886582 
1 1 1   10    2   13 o   32.039   1.3033  140.888   11.434  156.363   16.338  126.033   16.007   33.670   1.7783   30.195   1.9463 3.475143 2.636346 
1 1 1   10    2   14 o   43.470   1.2623  259.404   15.026  264.218   18.406  249.787   26.015   43.845   1.5331   42.480   2.2443 1.364872 2.717961 
1 1 1   10    2   15 o   28.980   1.6807  115.978   13.280  112.908   21.129  117.983   17.075   28.389   2.7524   29.151   2.1542 -0.7622128 3.495238 
1 1 1   10    2   16 o   34.333   1.4424  162.094   13.561  152.206   18.628  173.243   19.779   33.132   2.0634   35.358   2.0517 -2.225895 2.909847 
1 1 1   10    2   17 o   34.139   1.4722  160.410   13.763  151.915   19.517  168.812   19.411   33.054   2.1682   34.881   2.0411 -1.826351 2.977786 
1 1 1   10    2   18 o   63.566   1.1778  555.476   20.502  540.170   32.697  565.393   26.318   62.478   1.9111   64.050   1.5005 -1.571930 2.429827 
1 1 1   10    2   19 o   7.6667   3.3031  -0.3105   12.582 -11.9469   17.469   12.235   18.138   7.7173   3.5584   10.903   4.2365 -3.185437 5.532646 
1 1 1   10    2   20 o   23.315   2.1225   76.803   13.403   89.384   18.949   64.208   18.959   24.883   2.8314   20.777   3.4536 4.105885 4.465867 
1 1 1   10    2   21 o   12.758   3.3681   25.110   11.940   16.132   17.846   32.385   16.065   11.117   4.2324   14.278   3.9668 -3.160713 5.800766 
1 1 1   10    2   22 o   24.554   1.8967   86.287   12.654  116.150   19.909   66.044   16.391   27.978   2.6294   20.831   2.9565 7.147083 3.956613 
1 1 1   10    2   23 o   13.272   3.4853   29.318   12.829   33.897   17.411   23.878   18.976   13.768   4.2192   11.807   4.3922 1.961455 6.090415 
1 1 1   10    2   24 o   13.962   3.1744   32.104   11.862   24.646   16.971   39.228   16.586   11.689   4.1833   14.745   4.0043 -3.056520 5.790892 
1 1 1   10    3    0 o   83.325   2.1189  953.956   48.277  953.956   48.277  953.956   48.277   83.325   2.1189   83.325   2.1189 0.000000 0.000000 
1 1 1   10    3    1 o   55.294   0.9334  418.876   14.132  444.314   23.610  404.672   17.642   56.920   1.5147   54.338   1.1856 2.581642 1.923573 
1 1 1   10    3    2 o   66.181   0.9721  600.097   17.617  593.267   28.285  604.426   22.519   65.768   1.5705   66.405   1.2384 -0.6377945 2.000035 
1 1 1   10    3    3 o   31.391   1.1666  135.054   10.028  139.825   17.347  132.659   12.290   31.848   1.9992   31.103   1.4430 0.7444782 2.465611 
1 1 1   10    3    4 o   28.776   0.9705  113.460   7.6477  109.353   9.8092  119.826   12.213   28.244   1.2683   29.519   1.5159 -1.275150 1.976531 
1 1 1   10    3    5 o   71.099   1.0657  692.742   20.748  711.618   31.604  678.446   27.504   72.022   1.6025   70.337   1.4280 1.684334 2.146424 
1 1 1   10    3    6 o   64.937   0.8773  577.705   15.601  599.670   23.554  560.538   20.823   66.135   1.3006   63.948   1.1891 2.187202 1.762266 
1 1 1   10    3    7 o   56.013   0.8604  429.836   13.197  449.221   19.324  412.889   18.067   57.243   1.2328   54.881   1.2022 2.361954 1.721915 
1 1 1   10    3    8 o  116.261   1.0826  1852.60   34.467  1821.55   47.487  1887.17   50.107  115.227   1.5050  117.275   1.5603 -2.048302 2.167828 
1 1 1   10    3    9 o   22.637   1.6666   70.729   10.258  106.835   17.211   50.833   12.776   27.772   2.2833   19.049   2.5103 8.722418 3.393436 
1 1 1   10    3   10 o   86.264   1.1293  1020.23   26.676  1087.91   46.968  987.999   32.411   88.965   1.9279   84.860   1.3948 4.104691 2.379559 
1 1 1   10    3   11 o  116.352   1.2475  1856.96   39.748  1852.90   53.965  1861.78   58.767  116.135   1.6969  116.377   1.8441 -0.2425766 2.506003 
1 1 1   10    3   12 o   80.467   0.9652  887.631   21.268  904.827   30.546  871.451   29.631   81.191   1.3739   79.682   1.3580 1.509186 1.931771 
1 1 1   10    3   13 o   22.584   1.7653   70.583   10.831   79.727   15.419   61.677   15.216   23.913   2.3866   20.939   2.7179 2.973904 3.617031 
1 1 1   10    3   14 o   25.242   1.8868   88.244   12.948   84.692   16.816   93.417   20.293   24.613   2.5310   25.777   2.9268 -1.163961 3.869348 
1 1 1   10    3   15 o   11.717   3.8099   18.785   14.005   6.2111   20.567   29.657   19.124   10.680   4.3863   14.407   4.4230 -3.726830 6.229133 
1 1 1   10    3   16 o   56.162   1.0658  432.923   16.392  446.327   23.567  420.361   22.815   56.954   1.5111   55.274   1.5073 1.680874 2.134315 
1 1 1   10    3   17 o   56.260   1.1144  434.710   17.169  419.868   23.716  451.055   24.888   55.208   1.5687   57.218   1.5884 -2.009270 2.232496 
1 1 1   10    3   18 o   26.875   1.8015  100.310   13.181   94.793   18.890  105.545   18.401   25.893   2.7040   27.402   2.4791 -1.509178 3.668491 
1 1 1   10    3   19 o   38.125   1.3571  200.511   14.168  193.053   20.123  207.844   19.952   37.201   1.9825   38.681   1.8836 -1.480484 2.734672 
1 1 1   10    3   20 f   20.319   2.5642   59.450   13.950   55.571   21.013   62.506   18.653   18.928   4.1670   20.459   3.4525 -1.531101 5.411430 
1 1 1   10    3   21 o   8.6527   3.4562   7.2521   12.367   18.576   19.075  -0.9586   16.243   11.596   4.3851   8.3176   3.6648 3.278790 5.714866 
1 1 1   10    3   22 o   7.9207   3.3506   3.6863   12.532   2.1615   21.281   4.4957   15.505   9.4217   4.1708   8.6645   3.6983 0.7572908 5.574338 
1 1 1   10    3   23 o   7.9935   3.3144   5.8186   11.895   10.317   17.014   1.5176   16.637   9.5083   3.9550   8.3151   3.6840 1.193107 5.404992 
1 1 1   10    4    0 o   31.506   1.4743  136.909   12.656  136.909   12.656  136.909   12.656   31.506   1.4743   31.506   1.4743 0.000000 0.000000 
1 1 1   10    4    1 o   83.476   0.9909  954.772   22.650  952.585   34.351  956.454   30.127   83.341   1.5052   83.526   1.3172 -0.1854630 2.000137 
1 1 1   10    4    2 o   54.969   0.8375  413.922   12.606  416.209   21.246  412.680   15.660   55.094   1.4083   54.878   1.0421 0.2157097 1.751915 
1 1 1   10    4    3 o   34.093   0.9152  159.247   8.5438  148.773   14.836  164.444   10.451   32.930   1.6453   34.640   1.1017 -1.710518 1.980126 
1 1 1   10    4    4 o   82.130   0.8530  924.084   19.184  959.613   29.290  897.392   25.387   83.665   1.2785   80.917   1.1457 2.747795 1.716741 
1 1 1   10    4    5 o   74.410   0.8228  758.498   16.766  729.370   25.538  780.565   22.228   72.939   1.2786   75.470   1.0756 -2.530739 1.670811 
1 1 1   10    4    6 f   15.865   1.9292   35.072   8.2085   37.911   12.116   32.664   11.160   16.361   2.8054   15.162   2.7908 1.199234 3.957091 
1 1 1   10    4    7 o   58.922   0.9659  475.741   15.584  462.429   25.917  483.281   19.505   58.049   1.6304   59.374   1.1996 -1.325775 2.024199 
1 1 1   10    4    8 o   48.871   0.9923  327.309   13.280  320.433   21.277  331.697   16.996   48.319   1.6080   49.183   1.2620 -0.8646469 2.044103 
1 1 1   10    4    9 o   78.396   1.1056  842.518   23.734  783.218   38.927  877.608   29.944   75.499   1.8828   79.986   1.3671 -4.486908 2.326829 
1 1 1   10    4   10 o   33.696   1.1807  155.699   10.894  158.344   15.559  153.155   15.259   33.955   1.6734   33.394   1.6686 0.5606689 2.363158 
1 1 1   10    4   11 o   8.4556   3.3184   5.8491   11.214   5.6793   14.405   6.1103   17.867   9.2502   3.7177   10.141   4.1175 -0.8903770 5.547488 
1 1 1   10    4   12 o   50.274   0.9994  346.541   13.759  341.542   19.563  351.435   19.355   49.874   1.4324   50.594   1.3970 -0.7206535 2.000897 
1 1 1   10    4   13 f   10.469   3.3226   15.028   10.698   18.142   15.350   12.087   14.918   11.768   3.9931   10.491   3.8961 1.277213 5.578916 
1 1 1   10    4   14 o   24.024   2.0901   80.215   13.613   89.123   17.211   65.330   22.248   25.251   2.5228   21.232   3.9726 4.018776 4.705933 
1 1 1   10    4   15 o   23.380   2.1498   76.153   13.609   47.525   21.052   96.707   17.838   17.952   4.3320   26.297   2.5075 -8.344507 5.005351 
1 1 1   10    4   16 o   53.657   1.1047  395.260   16.232  401.822   22.932  388.673   22.979   54.030   1.5500   53.133   1.5793 0.8967628 2.212840 
1 1 1   10    4   17 o   59.570   1.1004  487.403   17.950  500.074   25.306  474.572   25.466   60.250   1.5338   58.681   1.5848 1.568436 2.205446 
1 1 1   10    4   18 f   61.153   1.0883  514.023   18.225  518.951   25.640  508.992   25.909   61.330   1.5267   60.729   1.5580 0.6008797 2.181309 
1 1 1   10    4   19 o   37.050   1.4315  189.669   14.524  171.445   22.336  203.017   19.117   34.885   2.3519   38.223   1.8264 -3.338421 2.977798 
1 1 1   10    4   20 o   23.666   2.0938   79.352   13.429   93.703   21.770   70.536   17.062   25.186   3.2310   21.963   2.9084 3.222658 4.347178 
1 1 1   10    4   21 o   15.639   2.9665   37.085   12.239   34.334   18.822   39.100   16.111   14.403   4.3816   15.632   3.8005 -1.229803 5.800185 
1 1 1   10    4   22 o   34.681   1.4585  169.057   13.851  163.130   19.987  174.533   19.212   33.467   2.1930   34.772   2.0264 -1.304802 2.985936 
1 1 1   10    4   23 o   16.584   2.7449   42.742   12.029   63.923   17.464   23.619   16.594   19.831   3.3342   11.644   4.1399 8.187490 5.315547 
1 1 1   10    5    0 o   37.664   1.3035  195.049   13.408  195.049   13.408  195.049   13.408   37.664   1.3035   37.664   1.3035 0.000000 0.000000 
1 1 1   10    5    1 o   93.758   0.8897  1204.32   22.842  1176.31   33.893  1227.63   30.919   92.626   1.3363   94.638   1.1931 -2.012360 1.791369 
1 1 1   10    5    2 f  119.659   1.0428  1962.06   34.171  1951.34   49.998  1971.46   46.809  119.273   1.5308  119.901   1.4257 -0.6275940 2.091858 
1 1 1   10    5    3 o   93.205   1.0478  1190.47   26.744  1060.51   47.437  1251.02   32.380   87.875   1.9713   95.530   1.2378 -7.654968 2.327723 
1 1 1   10    5    4 o   22.397   1.1883   68.955   7.2619   56.402   11.979   76.249   9.1309   20.137   2.2086   23.537   1.4234 -3.399109 2.627563 
1 1 1   10    5    5 o  132.094   1.1661  2391.74   42.179  2380.75   58.535  2403.61   60.831  131.720   1.6228  132.341   1.6786 -0.6208191 2.334785 
1 1 1   10    5    6 o   26.128   1.1390   93.573   8.1495   89.784   12.328   96.513   10.861   25.511   1.7758   26.481   1.5039 -0.9700184 2.327074 
1 1 1   10    5    7 o   64.339   0.8745  567.175   15.408  595.843   22.668  542.556   21.006   65.920   1.2557   62.906   1.2194 3.014088 1.750402 
1 1 1   10    5    8 o   61.262   1.1034  514.466   18.511  512.078   35.516  515.357   21.690   61.021   2.1255   61.301   1.2921 -0.2805138 2.487427 
1 1 1   10    5    9 o  103.957   1.3044  1482.38   37.133  1435.75   65.931  1504.05   44.938  102.099   2.3582  104.672   1.5678 -2.573174 2.831800 
1 1 1   10    5   10 o   18.127   1.9922   45.739   9.7258   34.010   13.696   57.668   13.813   15.368   3.3492   20.290   2.5418 -4.922318 4.204524 
1 1 1   10    5   11 o   33.616   1.3622  155.104   12.539  153.583   16.046  157.490   20.097   33.377   1.7618   33.739   2.1871 -0.3617249 2.808415 
1 1 1   10    5   12 o   50.441   1.0219  348.896   14.116  317.306   19.859  381.155   20.068   48.059   1.5090   52.686   1.3910 -4.627197 2.052271 
1 1 1   10    5   13 o   78.146   1.1371  837.924   24.332  851.511   37.220  827.783   32.155   78.668   1.7278   77.608   1.5130 1.059349 2.296628 
1 1 1   10    5   14 o   11.729   3.6727   19.198   13.113   24.346   16.487   10.339   21.631   13.156   4.1181   11.461   4.5732 1.695182 6.154114 
1 1 1   10    5   15 o   28.695   1.7624  113.888   13.781  125.096   21.810  106.439   17.781   29.886   2.6939   27.622   2.3738 2.264229 3.590585 
1 1 1   10    5   16 o   40.463   1.4166  225.237   15.696  231.264   22.334  219.355   22.063   40.906   1.9938   39.781   2.0321 1.124660 2.846912 
1 1 1   10    5   17 o   10.189   3.5933   13.143   12.477   31.370   18.644  -1.6410   16.792   14.614   4.3419   8.7054   3.7831 5.908103 5.758837 
1 1 1   10    5   18 o   58.889   1.0977  476.874   17.702  491.847   25.173  462.225   24.898   59.681   1.5403   57.846   1.5718 1.835251 2.200704 
1 1 1   10    5   19 o   14.734   3.5698   32.751   14.252   53.617   28.987   26.099   16.366   18.230   5.4133   13.201   4.0982 5.028713 6.789611 
1 1 1   10    5   20 o   12.784   3.5066   25.135   12.645   27.037   20.072   23.883   16.282   13.275   4.5651   12.515   4.1098 0.7600756 6.142552 
1 1 1   10    5   21 f   27.023   1.8257  103.749   13.431  143.349   20.082   71.705   18.065   31.423   2.3508   21.685   3.1330 9.738337 3.916938 
1 1 1   10    5   22 o   11.298   3.6539   20.983   12.892  -4.2124   20.782   36.742   16.436   8.5850   3.9298   14.599   3.9952 -6.014324 5.604040 
1 1 1   10    5   23 o   7.3938   3.1440   3.5225   11.129   13.779   16.901  -4.3278   14.787   9.9077   4.0111   7.2211   3.3089 2.686532 5.199780 
1 1 1   10    6    0 f   49.861   1.2522  341.246   17.072  341.246   17.072  341.246   17.072   49.861   1.2522   49.861   1.2522 0.000000 0.000000 
1 1 1   10    6    1 o   88.552   0.8710  1074.30   21.121  1068.18   31.899  1079.07   28.185   88.265   1.3198   88.728   1.1600 -0.4628906 1.757126 
1 1 1   10    6    2 o   75.155   0.9470  773.914   19.490  807.302   31.763  753.750   24.684   76.716   1.5120   74.152   1.2156 2.563812 1.940055 
1 1 1   10    6    3 o   38.562   0.8676  203.727   9.1616  207.651   16.349  201.931   11.061   38.906   1.5346   38.386   1.0523 0.5198288 1.860742 
1 1 1   10    6    4 o   50.747   0.8440  352.814   11.728  352.390   21.110  353.004   14.106   50.682   1.5211   50.754   1.0149 -0.7177353E-01 1.828578 
1 1 1   10    6    5 o   35.263   0.8620  170.366   8.3237  174.557   13.745  167.939   10.460   35.674   1.4070   35.004   1.0912 0.6706009 1.780563 
1 1 1   10    6    6 o   46.532   0.8121  296.634   10.348  266.651   16.072  317.867   13.525   44.094   1.3310   48.159   1.0255 -4.064930 1.680292 
1 1 1   10    6    7 o  104.941   1.0833  1509.56   31.130  1566.69   58.099  1486.55   36.868  106.763   1.9873  104.113   1.2932 2.649963 2.370991 
1 1 1   10    6    8 o   75.575   1.0375  782.911   21.472  782.756   33.815  783.016   27.793   75.503   1.6355   75.551   1.3434 -0.4743195E-01 2.116537 
1 1 1   10    6    9 o   36.807   1.1252  185.765   11.341  180.660   16.377  190.468   15.719   36.267   1.6490   37.246   1.5412 -0.9789772 2.257130 
1 1 1   10    6   10 o   12.616   3.1920   22.929   11.036   29.436   14.036   12.390   17.863   14.270   3.5939   11.125   4.2347 3.144717 5.554160 
1 1 1   10    6   11 f   40.833   1.2282  228.777   13.733  232.627   17.673  222.909   21.818   41.147   1.5685   40.237   1.9802 0.9104767 2.526105 
1 1 1   10    6   12 o   51.411   1.0124  362.467   14.252  353.873   20.301  370.820   20.014   50.753   1.4607   51.960   1.4066 -1.207451 2.027831 
1 1 1   10    6   13 o   26.468   1.9376   97.062   13.946  103.481   17.662   86.435   22.727   27.253   2.3909   24.640   3.4640 2.612497 4.208962 
1 1 1   10    6   14 o   13.011   3.5636   24.524   13.070   7.9550   16.845   49.590   20.719   10.132   4.0380   18.363   4.2102 -8.230706 5.833605 
1 1 1   10    6   15 o   23.195   2.1289   75.000   13.371   83.243   20.759   69.156   17.480   24.187   3.2137   22.076   2.9666 2.111359 4.373683 
1 1 1   10    6   16 o   11.883   3.5238   20.275   12.289   32.341   17.804   9.2949   16.984   14.828   4.1959   10.330   4.0742 4.498407 5.848544 
1 1 1   10    6   17 o   11.424   3.6170   18.456   12.684   9.3470   18.392   26.717   17.515   10.565   4.2166   13.577   4.2436 -3.012222 5.982293 
1 1 1   10    6   18 f   16.223   3.0825   38.559   13.193   42.684   22.536   36.408   16.273   16.639   4.7252   15.545   3.8444 1.094100 6.091529 
1 1 1   10    6   19 o   35.118   1.8217  172.456   17.459  142.161   33.782  183.495   20.393   30.581   4.1406   36.119   2.0705 -5.537540 4.629375 
1 1 1   10    6   20 o   7.7583   3.3031   1.9873   12.311   13.101   19.981  -4.8130   15.630   10.893   4.3783   7.7373   3.4886 3.155793 5.598190 
1 1 1   10    6   21 o   32.006   1.7042  145.190   14.883  139.039   22.972  149.640   19.537   30.477   2.7832   32.107   2.2361 -1.629721 3.570237 
1 1 1   10    6   22 o   14.412   3.1552   33.406   12.106   32.221   20.582   34.033   14.970   13.214   4.6182   14.101   3.7938 -0.8876867 5.976685 
1 1 1   10    6   23 o   5.9842   2.7815  -6.3769   10.999  -8.6436   16.650  -4.6220   14.651   7.1966   3.3704   7.1299   3.2769 0.6672573E-01 4.700812 
1 1 1   10    7    0 o   14.530   2.9995   32.426   10.537   32.426   10.537   32.426   10.537   14.530   2.9995   14.530   2.9995 0.000000 0.000000 
1 1 1   10    7    1 f   51.526   0.7675  363.692   10.828  366.782   16.714  361.456   14.215   51.727   1.1800   51.358   1.0108 0.3687592 1.553709 
1 1 1   10    7    2 o   20.007   1.1997   55.070   6.5421   54.884   10.284   55.197   8.4788   19.899   1.9108   19.997   1.5608 -0.9789467E-01 2.467252 
1 1 1   10    7    3 o   26.825   0.9784   98.608   7.1868   94.959   11.184  101.176   9.3799   26.260   1.5623   27.164   1.2610 -0.9040375 2.007697 
1 1 1   10    7    4 o   81.606   0.9911  912.633   22.148  928.536   46.802  908.045   25.141   82.187   2.0796   81.389   1.1280 0.7972260 2.365830 
1 1 1   10    7    5 o   17.667   1.5526   43.164   7.4349   53.449   13.185   38.368   9.0029   19.539   2.5231   16.586   2.0243 2.953306 3.234785 
1 1 1   10    7    6 o   55.389   0.9015  420.404   13.673  513.881   32.482  400.273   15.074   61.148   1.9399   54.041   1.0186 7.106937 2.191023 
1 1 1   10    7    7 o   55.796   1.0449  426.761   15.965  383.162   25.044  456.609   20.722   52.815   1.7316   57.695   1.3116 -4.879963 2.172299 
1 1 1   10    7    8 o   42.716   1.0085  250.121   11.796  239.521   16.869  260.263   16.501   41.772   1.4747   43.550   1.3837 -1.777782 2.022214 
1 1 1   10    7    9 o   63.113   0.9380  545.993   16.212  553.292   23.174  538.996   22.688   63.497   1.3328   62.672   1.3220 0.8245430 1.877219 
1 1 1   10    7   10 o   28.520   1.3637  111.660   10.650  106.615   15.224  116.495   14.904   27.753   2.0170   29.036   1.8847 -1.283016 2.760487 
1 1 1   10    7   11 o   53.501   1.1351  392.694   16.630  405.334   22.235  376.648   25.052   54.316   1.4949   52.325   1.7484 1.990402 2.300360 
1 1 1   10    7   12 o   25.182   1.7091   87.658   11.716   86.945   16.733   88.343   16.410   24.948   2.4822   25.164   2.4110 -0.2156620 3.460378 
1 1 1   10    7   13 o   49.876   1.1929  341.528   16.292  346.412   21.392  334.782   25.141   50.183   1.5567   49.283   1.8629 0.8991585 2.427694 
1 1 1   10    7   14 o   11.843   3.4535   20.093   11.890   29.666   17.200   11.332   16.455   14.296   4.1494   10.601   4.0574 3.695489 5.803387 
1 1 1   10    7   15 f   44.682   1.2885  274.439   15.765  294.657   24.975  261.045   20.327   46.175   1.9752   43.513   1.7060 2.662056 2.609912 
1 1 1   10    7   16 o   35.790   1.4978  176.495   14.679  191.899   19.693  157.231   22.022   37.190   1.9404   33.529   2.4147 3.661514 3.097722 
1 1 1   10    7   17 o   37.195   1.4600  190.857   14.871  229.445   20.755  150.151   21.317   40.686   1.8629   32.700   2.3973 7.985401 3.036043 
1 1 1   10    7   18 o   7.3482   3.2880  -4.5961   13.594   26.853   28.293 -14.0356   15.500   14.186   5.3462   6.9275   3.2467 7.258251 6.254840 
1 1 1   10    7   19 o   19.214   3.1957   55.145   16.223   77.665   22.991   32.810   22.896   22.478   3.8751   14.424   4.8769 8.054276 6.228973 
1 1 1   10    7   20 o   20.761   2.1240   62.097   11.905   59.496   18.158   64.058   15.767   19.516   3.5275   20.692   2.8590 -1.175789 4.540633 
1 1 1   10    7   21 o   24.585   1.9492   87.229   13.015   82.655   20.280   90.432   16.971   22.859   3.3382   24.594   2.5574 -1.734503 4.205249 
1 1 1   10    7   22 o   7.1649   3.1831  -0.3852   12.502   13.270   19.514  -9.8935   16.283   10.135   4.2274   7.0621   3.3156 3.072867 5.372479 
1 1 1   10    8    0 o   52.544   1.2292  378.906   17.665  378.906   17.665  378.906   17.665   52.544   1.2292   52.544   1.2292 0.000000 0.000000 
1 1 1   10    8    1 o   90.984   0.8991  1134.29   22.400  1117.91   33.758  1147.17   29.940   90.280   1.3655   91.472   1.1953 -1.192436 1.814779 
1 1 1   10    8    2 o   35.205   0.8428  169.810   8.1249  152.706   12.565  182.099   10.651   33.366   1.3753   36.449   1.0671 -3.083153 1.740714 
1 1 1   10    8    3 o   43.225   0.8142  255.988   9.6375  231.692   15.105  272.667   12.516   41.100   1.3422   44.603   1.0247 -3.502827 1.688620 
1 1 1   10    8    4 f   58.861   1.0032  474.845   16.170  569.859   64.955  468.568   16.696   63.961   3.7247   58.468   1.0428 5.493382 3.867938 
1 1 1   10    8    5 o   21.359   1.5891   62.977   9.2282   25.375   62.346   63.819   9.3309   18.865   7.6795   21.502   1.5961 -2.636587 7.843575 
1 1 1   10    8    6 o   62.183   0.9036  529.908   15.386  633.590   30.948  495.870   17.732   67.920   1.6640   60.141   1.0767 7.778961 1.981955 
1 1 1   10    8    7 o   90.283   1.0138  1117.41   25.063  1168.17   43.662  1092.46   30.608   92.202   1.7293   89.241   1.2525 2.961349 2.135248 
1 1 1   10    8    8 o   50.470   0.8357  349.078   11.550  353.526   18.490  346.231   14.790   50.755   1.3304   50.249   1.0749 0.5061531 1.710362 
1 1 1   10    8    9 o   61.095   0.9461  511.703   15.828  496.286   22.452  526.935   22.317   60.126   1.3636   61.960   1.3153 -1.834446 1.894614 
1 1 1   10    8   10 o   9.2048   3.2408   10.398   10.145   15.288   14.473   5.6741   14.225   11.052   3.8721   9.1847   3.6933 1.867285 5.351047 
1 1 1   10    8   11 o   75.584   1.1994  784.124   24.825  783.213   32.400  785.419   38.630   75.475   1.5677   75.515   1.8681 -0.4003906E-01 2.438742 
1 1 1   10    8   12 o   9.0592   3.4125   8.5566   11.525   27.261   16.899  -7.7049   15.757   13.798   4.1415   7.7598   3.5004 6.038304 5.422631 
1 1 1   10    8   13 o   39.664   1.3630  216.227   14.804  205.816   19.207  231.466   23.236   38.640   1.8152   40.881   2.0825 -2.241787 2.762615 
1 1 1   10    8   14 o   45.891   1.2813  289.438   16.101  304.607   26.914  280.983   20.093   46.930   2.0943   45.164   1.6247 1.766403 2.650609 
1 1 1   10    8   15 o   16.461   2.9908   39.082   12.985   71.895   21.393   19.941   16.339   22.268   3.6336   12.150   4.1198 10.11808 5.493226 
1 1 1   10    8   16 o   32.138   1.4435  142.384   12.704  167.632   19.291  123.047   16.881   34.697   2.0393   29.696   2.0893 5.000834 2.919558 
1 1 1   10    8   17 o   10.446   3.5376   14.939   12.047   2.0848   18.822   23.860   15.680   9.5525   4.0760   12.755   4.0197 -3.202196 5.724686 
1 1 1   10    8   18 o   17.615   2.6552   45.070   12.410   59.312   18.384   33.146   16.821   19.883   3.5047   14.627   4.0573 5.255203 5.361393 
1 1 1   10    8   19 o   14.869   4.1803   35.734   17.731   46.826   22.155   15.971   29.572   16.757   4.6593   12.396   5.1900 4.361638 6.974631 
1 1 1   10    8   20 o   24.219   1.8201   83.679   11.982   92.475   18.557   77.390   15.692   24.832   2.7766   22.852   2.5513 1.980368 3.770736 
1 1 1   10    8   21 o   11.168   3.4698   20.497   11.729   6.6717   19.396   28.468   14.727   9.4180   4.0793   12.874   3.8667 -3.456042 5.620637 
1 1 1   10    8   22 f   14.312   3.3649   34.258   12.966   59.260   20.381   17.260   16.805   18.110   4.1924   10.416   4.0694 7.694050 5.842645 
1 1 1   10    9    0 o   29.191   1.6301  117.920   12.937  117.920   12.937  117.920   12.937   29.191   1.6301   29.191   1.6301 0.000000 0.000000 
1 1 1   10    9    1 o   42.959   0.8218  252.857   9.6678  264.513   15.928  246.058   12.165   43.912   1.3246   42.368   1.0485 1.544800 1.689383 
1 1 1   10    9    2 o   16.298   1.5551   36.796   6.8562   41.742   11.076   33.723   8.7298   17.242   2.4119   15.516   2.1093 1.725934 3.204071 
1 1 1   10    9    3 o   25.758   1.2005   90.987   8.4680   90.212   12.334   91.679   11.646   25.563   1.7730   25.784   1.6583 -0.2210064 2.427599 
1 1 1   10    9    4 o   52.323   0.9427  375.229   13.507  337.651   25.718  389.542   15.872   49.557   1.8951   53.303   1.0874 -3.745693 2.184965 
1 1 1   10    9    5 o   34.005   1.1236  158.564   10.463  192.377   37.190  155.658   10.903   36.999   3.7211   33.689   1.1819 3.310211 3.904291 
1 1 1   10    9    6 o   29.476   1.0860  119.140   8.7657  111.098   14.788  123.496   10.884   28.355   1.9158   29.999   1.3249 -1.644186 2.329317 
1 1 1   10    9    7 o   57.428   0.8300  451.975   13.053  454.713   21.002  450.251   16.662   57.559   1.3325   57.301   1.0619 0.2576637 1.703851 
1 1 1   10    9    8 o   23.096   1.2844   73.436   8.0910   70.248   13.951   75.052   9.9319   22.448   2.3021   23.319   1.5645 -0.8701057 2.783362 
1 1 1   10    9    9 o   5.8429   2.5697  -2.1185   7.9526   19.021   14.911 -10.5222   9.4014   11.898   3.9343   5.2850   2.4930 6.613494 4.657640 
1 1 1   10    9   10 o   28.807   1.6679  114.543   13.101  108.155   22.161  117.975   16.243   27.746   2.9626   29.179   2.0458 -1.432362 3.600284 
1 1 1   10    9   11 o   50.069   1.2084  344.189   16.568  374.271   21.971  304.531   25.227   52.166   1.5381   46.990   1.9605 5.176208 2.491817 
1 1 1   10    9   12 o   60.101   1.1515  495.911   18.951  493.564   25.356  498.882   28.525   59.893   1.5460   60.177   1.7311 -0.2843056 2.320950 
1 1 1   10    9   13 o   51.622   1.1906  366.034   16.830  374.359   22.115  354.577   25.942   52.148   1.5487   50.689   1.8689 1.458984 2.427205 
1 1 1   10    9   14 o   74.623   1.0562  764.651   21.584  755.758   30.087  774.079   30.980   74.085   1.4831   74.970   1.5091 -0.8850632 2.115837 
1 1 1   10    9   15 o   15.792   3.4970   36.733   14.724   39.085   20.904   34.418   20.741   16.137   4.5399   15.233   4.5918 0.9035215 6.457191 
1 1 1   10    9   16 f   59.454   1.1149  486.359   18.152  514.277   26.277  460.878   25.104   60.988   1.5734   57.730   1.5880 3.258289 2.235458 
1 1 1   10    9   17 o   15.273   2.8566   34.250   11.508   37.132   17.398   32.008   15.344   15.528   4.0496   14.482   3.8157 1.045321 5.564073 
1 1 1   10    9   18 o   33.681   1.4457  157.670   13.334  151.457   18.764  164.007   18.950   32.676   2.1083   34.044   2.0421 -1.367844 2.935188 
1 1 1   10    9   19 o   11.901   4.2552   21.976   17.555   27.940   22.350   12.370   28.365   13.108   4.7856   11.604   4.9788 1.503718 6.905848 
1 1 1   10    9   20 o   11.622   3.4045   21.972   11.531   9.4936   16.878   32.897   15.792   9.5032   3.9449   13.868   3.9615 -4.364660 5.590659 
1 1 1   10    9   21 o   10.754   3.3412   19.080   10.876   26.238   16.815   13.932   14.261   12.129   4.1780   9.7273   3.7630 2.401618 5.622794 
1 1 1   10   10    0 o  166.632   2.1601  3814.38   98.527  3814.38   98.527  3814.38   98.527  166.632   2.1601  166.632   2.1601 0.000000 0.000000 
1 1 1   10   10    1 o   43.679   0.8558  261.449   10.236  251.795   16.262  267.783   13.172   42.834   1.3864   44.192   1.0885 -1.358841 1.762680 
1 1 1   10   10    2 o   75.435   0.9287  779.954   19.183  755.064   27.621  803.148   26.664   74.176   1.3598   76.512   1.2726 -2.336334 1.862440 
1 1 1   10   10    3 o   44.344   0.8675  269.491   10.534  270.501   16.330  268.771   13.787   44.397   1.3432   44.269   1.1373 0.1277466 1.760023 
1 1 1   10   10    4 o   39.616   1.0229  215.177   11.096  210.689   22.589  216.605   12.739   39.054   2.1201   39.738   1.1707 -0.6839294 2.421876 
1 1 1   10   10    5 o   45.490   1.0559  283.766   13.153  340.736   42.335  277.680   13.838   49.452   3.1426   44.995   1.1231 4.456944 3.337286 
1 1 1   10   10    6 o   8.2396   2.9765   7.8627   8.6131   3.7492   19.066   8.9175   9.6544   10.065   4.1866   8.7423   3.1523 1.322264 5.240669 
1 1 1   10   10    7 o   86.899   0.9346  1035.31   22.240  1021.06   34.436  1045.51   29.131   86.215   1.4586   87.284   1.2188 -1.069542 1.900779 
1 1 1   10   10    8 o   45.890   0.9053  288.727   11.376  248.059   17.962  315.967   14.700   42.481   1.5441   47.989   1.1187 -5.508236 1.906713 
1 1 1   10   10    9 o   51.893   0.8908  369.225   12.658  370.296   20.417  368.556   16.133   51.910   1.4363   51.823   1.1369 0.8660889E-01 1.831806 
1 1 1   10   10   10 o   43.549   1.1067  260.291   13.198  248.106   18.842  272.027   18.492   42.460   1.6206   44.473   1.5184 -2.013691 2.220786 
1 1 1   10   10   11 o   9.7362   3.7823   8.7349   14.454   13.799   15.971 -14.1821   33.976   10.958   4.0386   11.384   5.1372 -0.4263544 6.534600 
1 1 1   10   10   12 o   75.930   1.1285  791.683   23.464  811.382   31.772  768.049   34.801   76.781   1.5112   74.650   1.7024 2.130592 2.276374 
1 1 1   10   10   13 o   31.844   1.4609  139.609   12.740  174.950   18.737  109.224   17.374   35.524   1.9334   27.966   2.2887 7.557764 2.996054 
1 1 1   10   10   14 o   32.070   1.3958  141.660   12.258  161.423   18.204  125.265   16.580   34.082   1.9588   29.992   2.0308 4.089964 2.821487 
1 1 1   10   10   15 o   14.704   2.8730   31.497   11.153   35.582   16.975   28.395   14.795   15.376   3.9952   13.800   3.7962 1.576796 5.511162 
1 1 1   10   10   16 o   16.917   2.5267   41.220   11.346   62.148   18.033   27.507   14.598   20.531   3.3210   13.488   3.7934 7.042943 5.041694 
1 1 1   10   10   17 o   25.833   1.7400   93.628   12.237  127.817   18.304   66.000   16.454   29.973   2.2465   21.196   2.9118 8.776896 3.677660 
1 1 1   10   10   18 o   25.955   1.6533   94.908   11.690  121.530   17.875   75.014   15.452   29.039   2.2658   22.630   2.5371 6.408699 3.401585 
1 1 1   10   10   19 o   13.922   3.7709   32.205   14.731   32.143   16.416   32.459   33.387   13.743   4.0721   13.625   5.5913 0.1182566 6.916980 
1 1 1   10   10   20 o   6.0067   2.7674  -5.3932   10.536 -15.6759   15.770   2.8959   14.159   6.5020   3.1127   8.0083   3.4770 -1.506305 4.666727 
1 1 1   10   10   21 o   12.831   3.1414   27.137   10.949   42.997   16.612   14.955   14.559   15.570   3.9035   9.8494   3.8044 5.720679 5.450789 
1 1 1   10   11    0 o  122.157   1.7348  2048.73   58.006  2048.73   58.006  2048.73   58.006  122.157   1.7348  122.157   1.7348 0.000000 0.000000 
1 1 1   10   11    1 o   97.034   1.0218  1291.08   27.150  1264.27   39.991  1314.00   36.977   95.934   1.5223   97.831   1.3803 -1.897087 2.054886 
1 1 1   10   11    2 o   70.231   0.8852  676.096   17.024  670.185   25.735  680.696   22.700   69.871   1.3450   70.439   1.1769 -0.5673676 1.787207 
1 1 1   10   11    3 o   61.200   0.9751  513.536   16.342  445.292   27.796  549.583   20.202   56.894   1.7841   63.292   1.1656 -6.397823 2.131150 
1 1 1   10   11    4 o   34.629   1.0960  164.485   10.393  191.709   22.574  157.163   11.707   37.214   2.2254   33.839   1.2634 3.374889 2.558975 
1 1 1   10   11    5 o   51.337   1.0832  361.521   15.227  290.861   40.034  373.473   16.465   45.607   3.2264   52.173   1.1525 -6.565411 3.426013 
1 1 1   10   11    6 o   29.781   1.2582  121.753   10.261  115.202   22.357  123.501   11.549   28.670   2.8870   29.984   1.4066 -1.314508 3.211402 
1 1 1   10   11    7 o   23.048   1.4917   73.320   9.3642   66.973   14.441   77.925   12.301   21.868   2.4539   23.705   1.9113 -1.836882 3.110389 
1 1 1   10   11    8 o   30.368   1.1563  126.587   9.6156  119.693   15.880  130.577   12.082   29.392   1.9847   30.822   1.4315 -1.430374 2.447095 
1 1 1   10   11    9 o   30.325   1.1483  126.246   9.5353  115.717   16.487  131.538   11.688   28.869   2.1000   30.936   1.3798 -2.066700 2.512685 
1 1 1   10   11   10 o   22.503   1.4614   69.941   8.9567   71.533   15.661   69.168   10.919   22.555   2.5821   22.327   1.8012 0.2277660 3.148300 
1 1 1   10   11   11 o   26.546   2.2834   98.371   16.437  106.413   18.337   65.473   37.087   27.578   2.4538   20.707   6.1169 6.870815 6.590700 
1 1 1   10   11   12 o   10.130   3.5988   12.785   12.537   18.819   16.525   4.5989   19.246   11.950   4.1403   10.112   4.2063 1.837826 5.902083 
1 1 1   10   11   13 o   19.778   2.2462   55.068   11.950   38.223   16.747   72.540   17.056   16.034   3.8605   22.577   2.8204 -6.542564 4.781012 
1 1 1   10   11   14 o   14.969   2.8099   32.551   11.095   55.349   16.529   13.854   14.969   19.500   3.2070   10.661   3.9127 8.839029 5.059054 
1 1 1   10   11   15 o   30.421   1.4165  127.954   11.799  161.800   19.034  106.828   15.038   33.968   2.0560   27.594   2.0038 6.373724 2.870925 
1 1 1   10   11   16 o   7.2603   3.0737   1.5565   10.559   13.984   16.119  -7.7865   13.976   10.637   4.0289   7.0258   3.2185 3.611578 5.156677 
1 1 1   10   11   17 o   16.410   2.5213   39.652   10.967   40.284   16.685   39.171   14.553   15.863   3.8744   15.860   3.4491 0.2852440E-02 5.187258 
1 1 1   10   11   18 o   31.070   1.6695  136.741   14.152  160.305   22.640  121.630   18.130   32.956   2.5280   28.857   2.3138 4.098471 3.426980 
1 1 1   10   11   19 o   8.4283   3.3518   8.3641   11.583   15.732   16.011   0.2730   16.778   10.301   3.9866   8.2382   3.6719 2.062814 5.420008 
1 1 1   10   11   20 o   6.6732   2.9980  -1.7984   11.422  -9.5448   16.196   5.8669   16.111   7.0377   3.3049   8.6674   3.7360 -1.629648 4.988014 
1 1 1   10   12    0 o   19.950   2.5732   57.424   13.414   57.424   13.414   57.424   13.414   19.950   2.5732   19.950   2.5732 0.000000 0.000000 
1 1 1   10   12    1 o   83.370   0.9628  953.115   21.981  937.265   32.402  966.627   29.917   82.598   1.4326   83.906   1.3021 -1.308372 1.935888 
1 1 1   10   12    2 o   29.485   1.0804  119.262   8.7233  121.189   14.049  118.054   11.128   29.626   1.7394   29.317   1.3862 0.3091888 2.224196 
1 1 1   10   12    3 o   42.999   1.0040  253.584   11.822  257.099   17.233  250.459   16.248   43.255   1.4549   42.700   1.3896 0.5554771 2.011904 
1 1 1   10   12    4 o   61.229   0.9630  514.146   16.147  501.888   30.637  518.861   18.999   60.362   1.8535   61.491   1.1283 -1.128582 2.169959 
1 1 1   10   12    5 o   17.249   2.1174   41.672   9.7910   73.094   38.748   39.529   10.119   22.001   6.1778   16.766   2.2619 5.235132 6.578833 
1 1 1   10   12    6 o   28.693   1.2992  113.090   10.208  104.757   24.052  114.921   11.274   27.189   3.2980   28.915   1.4239 -1.725389 3.592204 
1 1 1   10   12    7 o   40.490   1.0566  224.970   11.715  189.840   25.170  234.684   13.235   36.922   2.5043   41.344   1.1690 -4.422661 2.763729 
1 1 1   10   12    8 o   14.300   2.2171   28.937   8.4006   11.250   15.302   36.567   10.051   10.363   3.9254   16.084   2.3514 -5.721167 4.575817 
1 1 1   10   12    9 o   38.959   1.1342  208.424   12.100  196.672   26.653  211.475   13.581   37.524   2.6100   39.230   1.2642 -1.705139 2.900103 
1 1 1   10   12   10 o   9.4929   3.0762   12.291   9.1339   25.285   15.159   4.8836   11.445   13.219   3.9122   8.2729   3.3177 4.946430 5.129572 
1 1 1   10   12   11 o   8.6873   3.1895   8.6582   9.9475  -3.1167   15.834   16.335   12.785   8.2670   3.6312   10.957   3.6441 -2.689731 5.144363 
1 1 1   10   12   12 f   24.456   1.7557   83.135   11.679   90.904   17.188   76.470   15.919   25.390   2.5047   23.258   2.5409 2.132786 3.567904 
1 1 1   10   12   13 o   16.139   2.6368   37.523   11.250   34.049   16.346   40.649   15.508   15.034   3.9274   16.536   3.5319 -1.502336 5.281956 
1 1 1   10   12   14 f   30.143   1.4363  125.706   11.856  115.821   17.741  133.682   15.937   28.626   2.2821   30.914   1.8917 -2.287254 2.964231 
1 1 1   10   12   15 o   47.817   1.3152  316.626   17.221  348.491   23.364  278.720   25.483   49.972   1.7074   44.481   2.0921 5.491463 2.700355 
1 1 1   10   12   16 o   21.859   1.9859   68.161   11.758   56.943   16.505   79.719   16.753   19.342   3.2301   23.291   2.6753 -3.949268 4.194093 
1 1 1   10   12   17 o   8.9217   3.3589   10.423   11.162   9.6309   16.016   11.171   15.565   9.5314   3.8875   9.7085   3.8777 -0.1770239 5.490818 
1 1 1   10   12   18 f   15.846   3.2162   40.226   13.479   40.413   19.838   40.066   18.371   14.877   4.4921   14.998   4.2687 -0.1211386 6.196876 
1 1 1   10   12   19 o   8.4761   3.2686   9.6756   10.733   8.7045   15.929   10.483   14.525   9.0488   3.8000   9.1316   3.7107 -0.8279514E-01 5.311238 
1 1 1   10   13    0 o   29.856   1.8777  123.893   15.212  123.893   15.212  123.893   15.212   29.856   1.8777   29.856   1.8777 0.000000 0.000000 
1 1 1   10   13    1 o   52.185   1.0181  373.613   14.548  374.514   20.743  372.740   20.410   52.194   1.4513   52.073   1.4314 0.1208420 2.038399 
1 1 1   10   13    2 o   64.666   1.0005  573.664   17.717  667.460   42.067  553.439   19.534   69.489   2.2107   63.499   1.1234 5.989452 2.479768 
1 1 1   10   13    3 o   25.571   1.2515   89.803   8.7629   71.403   14.477  100.442   11.009   22.590   2.3760   26.984   1.4957 -4.394308 2.807550 
1 1 1   10   13    4 o   41.212   1.0231  233.044   11.546  257.047   25.549  226.884   12.943   43.069   2.1733   40.651   1.1627 2.417694 2.464792 
1 1 1   10   13    5 f   10.975   2.9946   17.346   9.2501   5.6674   22.212   19.796   10.174   10.930   4.5304   11.701   3.1188 -0.7705469 5.500132 
1 1 1   10   13    6 o   24.129   1.5659   80.472   10.291   90.122   37.294   79.677   10.706   24.367   5.6921   23.998   1.6390 0.3685398 5.923368 
1 1 1   10   13    7 o   48.040   1.1106  316.892   14.610   65.244   54.469  336.402   15.166   21.163   7.5030   49.496   1.1190 -28.33288 7.585975 
1 1 1   10   13    8 o   59.285   1.0972  482.664   17.812  150.150   42.843  552.150   19.585   31.788   5.0939   63.404   1.1280 -31.61561 5.217267 
1 1 1   10   13    9 o   41.767   1.0418  239.562   11.916  245.527   19.122  235.776   15.235   42.189   1.6552   41.395   1.3440 0.7938423 2.132148 
1 1 1   10   13   10 o   32.070   1.3397  141.598   11.765  108.497   24.121  151.932   13.477   27.527   3.2634   33.199   1.4825 -5.671463 3.584383 
1 1 1   10   13   11 o   15.464   2.3466   34.097   9.6248   27.786   15.916   37.735   12.085   13.694   3.9963   16.152   2.8358 -2.457929 4.900208 
1 1 1   10   13   12 o   18.899   1.7222   49.937   8.8152   52.694   15.940   48.723   10.580   18.975   3.1803   18.568   2.1188 0.4074097 3.821495 
1 1 1   10   13   13 o   25.034   1.6602   87.450   11.317   72.491   16.754  100.001   15.346   22.391   2.7933   26.624   2.1226 -4.233183 3.508287 
1 1 1   10   13   14 o   41.292   1.4660  236.959   16.576  143.809   23.841  324.129   23.063   31.455   2.7970   48.142   1.7494 -16.68704 3.299051 
1 1 1   10   13   15 o   15.342   2.4172   34.606   9.8185   53.095   14.016   16.790   13.758   18.876   2.7961   10.710   3.7737 8.166064 4.696721 
1 1 1   10   13   16 f   10.551   3.3442   17.400   10.841   16.857   17.441   17.742   13.838   10.849   4.1713   10.742   3.7847 0.1063747 5.632368 
1 1 1   10   13   17 o   22.036   1.9116   70.282   11.421   70.686   16.954   69.947   15.453   21.314   2.9868   21.436   2.6919 -0.1222763 4.020854 
1 1 1   10   13   18 o   8.0070   3.3454   5.7816   12.250   12.490   19.533   1.4325   15.727   9.9995   4.2040   8.0721   3.5788 1.927463 5.521025 
1 1 1   10   14    0 o   9.5644   4.5119   18.702   13.343   18.702   13.343   18.702   13.343   9.5644   4.5119   9.5644   4.5119 0.000000 0.000000 
1 1 1   10   14    1 o   35.489   1.1628  172.962   11.301  177.425   16.144  168.672   15.825   35.892   1.6425   34.994   1.6514 0.8976212 2.329183 
1 1 1   10   14    2 o   27.959   1.1342  107.336   8.6840  110.011   14.663  105.891   10.778   28.168   1.9123   27.711   1.4251 0.4567184 2.384883 
1 1 1   10   14    3 o   20.049   1.7244   55.813   9.3752   41.656   22.302   58.851   10.333   16.768   4.6792   20.570   1.8543 -3.802343 5.033254 
1 1 1   10   14    4 o   25.240   1.4278   87.920   9.8279  102.490   22.917   84.636   10.879   26.866   3.1765   24.734   1.6151 2.132032 3.563500 
1 1 1   10   14    5 o   40.557   1.0545  225.827   11.712  218.241   25.522  227.850   13.181   39.584   2.3653   40.724   1.1820 -1.139496 2.644234 
1 1 1   10   14    6 o   50.039   1.1068  343.933   15.166   62.745   30.603  435.473   17.461   20.279   5.4106   56.302   1.1326 -36.02243 5.527889 
1 1 1   10   14    7 o   55.165   1.0745  418.025   16.231  112.299   24.649  652.097   21.568   28.045   3.2711   68.885   1.1434 -40.83994 3.465137 
1 1 1   10   14    8 o   24.174   1.5891   80.985   10.461   40.022   18.496  100.251   12.684   16.356   4.1291   26.878   1.7326 -10.52219 4.477893 
1 1 1   10   14    9 o   39.929   1.1959  219.392   13.076  254.844   29.864  210.984   14.544   42.574   2.5737   39.128   1.3574 3.446655 2.909697 
1 1 1   10   14   10 o   17.858   2.1998   45.175   10.530   33.497   14.362   58.750   15.484   14.968   3.5566   20.184   2.8835 -5.216156 4.578624 
1 1 1   10   14   11 f   22.360   1.5646   69.614   9.5192   84.343   15.228   60.166   12.196   24.398   2.3066   20.608   2.1949 3.789410 3.184060 
1 1 1   10   14   12 o   29.368   1.1642  119.069   9.3626  101.680   14.894  130.430   12.039   26.839   2.0418   30.672   1.4333 -3.833097 2.494706 
1 1 1   10   14   13 o   13.245   2.4099   25.767   8.4189   19.589   14.344   29.014   10.398   11.457   3.8601   13.920   2.8245 -2.462505 4.783167 
1 1 1   10   14   14 o   24.736   1.6784   86.432   11.302   86.572   18.513   86.348   14.269   24.076   2.8643   24.487   2.1497 -0.4119015 3.581272 
1 1 1   10   14   15 o   6.1918   2.7770  -2.6043   9.7567 -12.4500   13.633   7.7329   13.969   6.2829   2.9753   8.8410   3.6211 -2.558080 4.686650 
1 1 1   10   14   16 o   7.0626   3.0361   1.9029   10.583  -6.4852   15.707   8.8784   14.323   7.2970   3.3679   8.9569   3.6674 -1.659879 4.979203 
1 1 1   10   14   17 o   8.0085   3.3155   6.2512   11.876   31.143   23.085  -2.7085   13.850   12.715   4.8202   7.1802   3.2563 5.534934 5.817055 
1 1 1   10   15    0 o   17.847   5.0989   54.173   21.598   54.173   21.598   54.173   21.598   17.847   5.0989   17.847   5.0989 0.000000 0.000000 
1 1 1   10   15    1 o   15.936   2.8197   36.506   11.854   27.214   22.004   40.306   14.071   14.051   4.7808   16.668   3.1992 -2.617040 5.752470 
1 1 1   10   15    2 o   66.410   1.1759  606.144   21.383  592.227   37.347  612.932   26.082   65.377   2.0862   66.721   1.4275 -1.343697 2.527829 
1 1 1   10   15    3 o   25.164   1.3688   87.418   9.3969   95.346   21.134   85.465   10.491   25.888   3.0391   24.852   1.5493 1.035463 3.411221 
1 1 1   10   15    4 o   10.652   2.9087   16.444   8.7233   18.114   18.471   15.964   9.8965   12.035   4.3571   10.572   3.1685 1.463055 5.387328 
1 1 1   10   15    5 o   38.896   1.1115  207.961   11.838  110.726   23.595  240.673   13.686   27.841   3.1504   41.831   1.1947 -13.99030 3.369298 
1 1 1   10   15    6 o   36.015   1.7716  179.512   17.472   28.273   21.588  466.731   29.750   14.093   4.7357   58.037   1.8719 -43.94412 5.092268 
1 1 1   10   15    7 o   35.487   1.2527  173.454   12.173   27.260   19.886  261.060   15.394   13.739   4.5435   43.527   1.2915 -29.78798 4.723509 
1 1 1   10   15    8 o   12.600   2.7574   23.273   9.2496   16.462   16.193   26.572   11.269   11.290   4.0808   13.394   3.1289 -2.104113 5.142305 
1 1 1   10   15    9 o   30.007   1.2259  124.213   10.073   67.958   17.219  153.480   12.420   21.624   2.9878   33.326   1.3610 -11.70234 3.283173 
1 1 1   10   15   10 o   18.380   1.7272   47.467   8.5911   49.603   15.603   46.537   10.291   18.246   3.2418   18.083   2.1185 0.1630440 3.872625 
1 1 1   10   15   11 o   11.122   2.8298   18.576   8.6394   37.989   14.395   7.6452   10.801   15.740   3.4360   8.4529   3.2735 7.287354 4.745771 
1 1 1   10   15   12 o   14.123   2.1795   29.027   8.1575   16.199   14.058   35.539   10.016   10.628   3.8070   15.553   2.4315 -4.924900 4.517225 
1 1 1   10   15   13 o   12.670   2.5008   24.140   8.3684   13.994   14.461   29.248   10.261   10.090   3.8174   13.835   2.8045 -3.745165 4.736868 
1 1 1   10   15   14 o   6.8264   2.8668   2.6732   9.0669   11.922   15.940  -1.7505   11.024   9.7527   3.9139   6.6743   2.9755 3.078467 4.916534 
1 1 1   10   15   15 o   12.128   2.9404   23.472   9.6640   24.190   14.246   22.860   13.154   11.884   3.8407   11.633   3.6834 0.2509975 5.321478 
1 1 1   10   15   16 o   8.8082   3.2777   11.363   10.569   7.6878   15.840   14.311   14.188   8.8674   3.7600   9.7355   3.7570 -0.8680496 5.315336 
1 1 1   10   16    0 o   33.546   2.6031  158.693   23.581  158.693   23.581  158.693   23.581   33.546   2.6031   33.546   2.6031 0.000000 0.000000 
1 1 1   10   16    1 o   37.772   1.1570  196.306   11.967  216.565   17.040  176.587   16.811   39.591   1.5717   35.719   1.7187 3.872089 2.329050 
1 1 1   10   16    2 o   9.0748   3.3850   9.3129   11.285   6.0593   13.195   18.176   21.778   8.8683   3.5602   12.393   4.6857 -3.525045 5.884832 
1 1 1   10   16    3 o   20.027   1.5851   55.795   8.6218   47.071   12.943   62.755   11.560   18.104   2.6927   21.147   2.0209 -3.043026 3.366671 
1 1 1   10   16    4 o   12.945   2.8935   24.627   9.9990   12.502   21.588   27.938   11.282   11.476   4.5721   13.761   3.0719 -2.284724 5.508173 
1 1 1   10   16    5 o   9.4255   3.2328   11.891   10.063 -11.5632   20.279   19.553   11.590   8.4365   3.8692   11.535   3.4225 -3.098742 5.165691 
1 1 1   10   16    6 o   14.021   2.8468   28.910   10.557   6.2298   22.465   35.338   11.960   10.727   4.5092   15.513   2.9225 -4.786176 5.373411 
1 1 1   10   16    7 o   17.400   2.1176   43.058   9.8815   29.505   20.010   47.429   11.364   13.928   4.5553   18.204   2.3334 -4.275568 5.118104 
1 1 1   10   16    8 o   27.565   1.3348  105.221   10.076   71.201   16.017  127.499   12.961   22.154   2.6958   30.238   1.5707 -8.084560 3.120025 
1 1 1   10   16    9 o   17.547   1.7450   43.506   8.2736   28.609   14.082   51.360   10.225   13.543   3.6946   18.993   1.9957 -5.450222 4.199165 
1 1 1   10   16   10 o   23.652   1.8287   79.281   11.752   47.267   16.627  111.242   16.613   17.359   3.6153   27.841   2.1970 -10.48215 4.230538 
1 1 1   10   16   11 o   17.224   2.1420   43.121   9.8845   7.4132   17.622   59.513   11.940   9.5230   3.9979   20.246   2.1884 -10.72275 4.557635 
1 1 1   10   16   12 o   17.664   1.7571   44.725   8.3862   21.039   13.673   59.010   10.618   11.389   3.7674   20.216   1.9420 -8.826647 4.238493 
1 1 1   10   16   13 o   8.8068   2.9593   11.715   8.4296   10.041   13.837   12.703   10.630   9.0903   3.6471   9.2379   3.3103 -0.1476011 4.925383 
1 1 1   10   16   14 o   12.861   2.6349   25.775   8.9679   14.005   16.031   31.136   10.819   9.9002   3.9412   13.989   2.9188 -4.088636 4.904363 
1 1 1   10   16   15 o   6.9452   2.9061   3.6268   9.2639  -6.1135   14.051   11.117   12.321   6.8330   3.1649   8.9264   3.4853 -2.093329 4.707842 
1 1 1   10   17    0 o   18.157   2.8930   49.317   13.290   49.317   13.290   49.317   13.290   18.157   2.8930   18.157   2.8930 0.000000 0.000000 
1 1 1   10   17    1 o   28.624   1.0992  112.921   8.6153  112.001   14.582  113.415   10.678   28.264   1.8950   28.636   1.3618 -0.3716564 2.333557 
1 1 1   10   17    2 o   28.518   1.3128  112.435   10.252  105.594   15.008  118.421   14.038   27.391   2.0150   29.103   1.7699 -1.712236 2.681967 
1 1 1   10   17    3 o   23.736   1.3049   78.141   8.4491   91.017   14.396   71.375   10.436   25.378   2.0901   22.579   1.7003 2.798698 2.694350 
1 1 1   10   17    4 o   23.263   1.4322   75.329   9.0789   88.671   18.126   70.861   10.490   24.749   2.7194   22.479   1.7171 2.269981 3.216108 
1 1 1   10   17    5 f   19.504   2.3662   54.782   12.379   0.8141   41.044   60.183   12.984   12.654   5.6841   20.457   2.3612 -7.802332 6.155055 
1 1 1   10   17    6 o   7.6026   2.9985   5.4738   9.1988 -16.9600   26.608   8.5189   9.8033   9.1452   4.2759   8.4273   3.1526 0.7179070 5.312459 
1 1 1   10   17    7 o   18.200   1.6390   46.734   8.0807   17.271   13.922   61.703   9.9233   10.866   3.7982   20.890   1.7508 -10.02442 4.182359 
1 1 1   10   17    8 o   10.533   2.7305   16.869   7.9409   5.5514   13.671   22.632   9.7554   8.5650   3.5525   12.130   2.9625 -3.565061 4.625627 
1 1 1   10   17    9 o   10.354   2.7542   16.458   7.9454   9.1312   13.703   20.169   9.7519   9.0932   3.6361   11.361   3.0642 -2.268160 4.755042 
1 1 1   10   17   10 o   15.322   2.0531   34.331   8.3975 -10.4149   14.584   56.526   10.271   6.7118   3.1468   19.787   1.9197 -13.07559 3.686156 
1 1 1   10   17   11 o   7.5551   2.9912   6.2467   9.1876   8.8505   14.724   4.5866   11.757   9.0326   3.7107   7.7966   3.2689 1.236032 4.945178 
1 1 1   10   17   12 o   6.3364   2.6939   1.7934   8.1681   10.516   13.046  -3.8302   10.475   8.9884   3.5626   6.1682   2.8106 2.820216 4.537858 
1 1 1   10   17   13 f   19.861   1.5780   56.538   8.5116   54.930   13.904   57.502   10.764   18.730   2.7964   19.757   2.0180 -1.027151 3.448524 
1 1 1   10   18    0 o   8.3846   4.2549   15.271   12.205   15.271   12.205   15.271   12.205   8.3846   4.2549   8.3846   4.2549 0.000000 0.000000 
1 1 1   10   18    1 o   14.228   2.3178   29.633   8.7196   22.257   12.260   37.185   12.404   11.961   3.5123   15.672   2.9997 -3.711657 4.618882 
1 1 1   10   18    2 o   9.5493   2.7875   13.668   7.7426   11.501   12.385   15.058   9.9202   9.4594   3.5426   10.038   3.2010 -0.5781441 4.774507 
1 1 1   10   18    3 o   18.727   2.1261   50.576   10.710   33.608   19.572   57.828   12.795   14.205   4.4926   19.910   2.3949 -5.705192 5.091034 
1 1 1   10   18    4 o   13.962   2.6685   29.311   9.8304   34.382   12.983   22.496   15.050   14.848   3.2805   11.935   3.9528 2.913652 5.136773 
1 1 1   10   18    5 o   15.649   2.6562   36.772   10.975   31.704   16.759   40.578   14.523   13.798   4.1204   16.031   3.4129 -2.232916 5.350300 
1 1 1   10   18    6 o   5.9943   2.6470  -1.2926   8.5195   20.938   16.230  -9.7474   10.009   11.515   4.0942   5.4175   2.5606 6.097967 4.829056 
1 1 1   10   18    7 o   11.944   2.6361   21.895   8.3907   14.535   16.531   24.449   9.7385   10.291   4.0318   12.513   2.8989 -2.222090 4.965791 
1 1 1   10   18    8 o   13.324   2.4290   26.861   8.5356   58.971   16.845   15.768   9.9008   19.212   3.3220   10.004   3.1986 9.208558 4.611642 
1 1 1   10   18    9 o   7.8806   2.9976   7.9738   8.9469   39.697   18.774  -1.3483   10.177   14.785   4.3477   6.4394   2.8658 8.345639 5.207173 
1 1 1   10   18   10 o   11.181   3.1524   20.445   10.068  -0.7833   16.692   32.586   12.623   8.0259   3.6132   14.034   3.3341 -6.007661 4.916491 
1 1 1   10   18   11 o   6.4541   2.8769  -1.0953   10.300  -4.6132   14.568   2.4212   14.566   7.1212   3.2710   7.9355   3.4842 -0.8142858 4.778994 
1 1 1   10   19    0 o   23.377   3.3301   83.893   20.066   83.893   20.066   83.893   20.066   23.377   3.3301   23.377   3.3301 0.000000 0.000000 
1 1 1   10   19    1 o   14.781   2.2838   32.477   8.9456   26.364   12.650   38.590   12.651   12.677   3.5193   15.690   3.0545 -3.012293 4.660032 
1 1 1   10   19    2 o   18.120   1.7671   47.154   8.6567   35.525   12.685   57.292   11.843   14.938   3.1976   19.730   2.2313 -4.792394 3.899131 
1 1 1   10   19    3 o   29.559   1.7076  124.630   13.764  128.868   19.405  120.340   19.524   29.471   2.4261   28.371   2.5400 1.100718 3.512498 
1 1 1   10   19    4 o   8.9935   2.8856   12.386   8.0526   9.9164   12.828   13.992   10.345   8.9420   3.5364   9.5471   3.2777 -0.6050797 4.821714 
1 1 1   10   19    5 o   10.314   2.9093   16.854   8.5731   15.097   16.018   17.559   10.149   10.188   3.9750   10.449   3.2245 -0.2608557 5.118443 
1 1 1   10   19    6 o   9.5064   3.1077   14.219   9.3133  -2.9293   15.792   23.364   11.532   7.6446   3.4709   11.868   3.3836 -4.223418 4.847196 
1 1 1   10   19    7 o   7.4584   2.9108   6.6150   8.5908 -26.9887   18.010   16.513   9.7745   6.2798   3.0790   10.104   3.1721 -3.824075 4.420690 
1 1 1   10   19    8 o   5.3732   2.4793  -4.7808   8.5023  -6.0438   18.528  -4.4440   9.5693   7.8287   3.6290   5.7810   2.6538 2.047745 4.495771 
1 1 1   10   20    0 o   3.8619   2.7302 -12.7196   11.761 -12.7196   11.761 -12.7196   11.761   3.8619   2.7302   3.8619   2.7302 0.000000 0.000000 
1 1 1   10   20    1 o   17.333   2.0628   44.403   9.5984   50.434   12.901   36.926   14.366   18.047   2.6928   14.732   3.5932 3.315900 4.490240 
1 1 1   10   20    2 o   19.026   1.7065   52.237   8.7962   56.223   12.998   48.871   11.947   19.181   2.5370   17.889   2.5078 1.292183 3.567280 
1 1 1   10   20    3 o   23.253   1.3188   76.357   8.3631   64.371   13.389   84.025   10.709   20.623   2.4167   24.209   1.6248 -3.586527 2.912145 
1 1 1   10   20    4 o   9.9149   2.8467   15.764   8.1350   4.3305   14.122   21.443   9.9521   8.1040   3.4955   11.420   3.1021 -3.315651 4.673460 
1 1 1   11    0    1 o   27.740   1.6469  106.599   12.409  106.599   12.409  106.599   12.409   27.740   1.6469   27.740   1.6469 0.000000 0.000000 
1 1 1   11    0    2 o   4.7095   3.1084  -2.2708   10.343  -2.2708   10.343  -2.2708   10.343   4.7095   3.1084   4.7095   3.1084 0.000000 0.000000 
1 1 1   11    0    3 o   59.546   1.5060  486.915   24.521  486.915   24.521  486.915   24.521   59.546   1.5060   59.546   1.5060 0.000000 0.000000 
1 1 1   11    0    4 o   6.4080   3.4393   8.0571   8.3073   8.0571   8.3073   8.0571   8.3073   6.4080   3.4393   6.4080   3.4393 0.000000 0.000000 
1 1 1   11    0    5 o   36.201   1.0996  180.035   10.878  180.035   10.878  180.035   10.878   36.201   1.0996   36.201   1.0996 0.000000 0.000000 
1 1 1   11    0    6 o   15.857   4.4396   41.852   16.683   41.852   16.683   41.852   16.683   15.857   4.4396   15.857   4.4396 0.000000 0.000000 
1 1 1   11    0    7 o   58.417   1.6718  469.118   26.694  469.118   26.694  469.118   26.694   58.417   1.6718   58.417   1.6718 0.000000 0.000000 
1 1 1   11    0    8 o   82.722   1.5063  939.138   34.095  939.138   34.095  939.138   34.095   82.722   1.5063   82.722   1.5063 0.000000 0.000000 
1 1 1   11    0    9 f   61.071   1.4593  512.258   24.373  512.258   24.373  512.258   24.373   61.071   1.4593   61.071   1.4593 0.000000 0.000000 
1 1 1   11    0   10 o   22.583   2.6959   73.109   16.044   73.109   16.044   73.109   16.044   22.583   2.6959   22.583   2.6959 0.000000 0.000000 
1 1 1   11    0   11 o   66.491   1.3737  607.015   24.987  607.015   24.987  607.015   24.987   66.491   1.3737   66.491   1.3737 0.000000 0.000000 
1 1 1   11    0   12 f   4.3615   3.1427 -33.3338   18.759 -33.3338   18.759 -33.3338   18.759   4.3615   3.1427   4.3615   3.1427 0.000000 0.000000 
1 1 1   11    0   13 o   13.215   4.9068   32.583   16.499   32.583   16.499   32.583   16.499   13.215   4.9068   13.215   4.9068 0.000000 0.000000 
1 1 1   11    0   14 o   69.991   1.5549  673.514   29.768  673.514   29.768  673.514   29.768   69.991   1.5549   69.991   1.5549 0.000000 0.000000 
1 1 1   11    0   15 o   78.013   1.6606  837.288   35.439  837.288   35.439  837.288   35.439   78.013   1.6606   78.013   1.6606 0.000000 0.000000 
1 1 1   11    0   16 o   41.790   1.8487  241.697   21.062  241.697   21.062  241.697   21.062   41.790   1.8487   41.790   1.8487 0.000000 0.000000 
1 1 1   11    0   17 o   30.495   2.1365  130.233   17.639  130.233   17.639  130.233   17.639   30.495   2.1365   30.495   2.1365 0.000000 0.000000 
1 1 1   11    0   18 o   50.412   2.1043  353.571   28.934  353.571   28.934  353.571   28.934   50.412   2.1043   50.412   2.1043 0.000000 0.000000 
1 1 1   11    0   19 o   29.392   2.1247  121.928   16.896  121.928   16.896  121.928   16.896   29.392   2.1247   29.392   2.1247 0.000000 0.000000 
1 1 1   11    0   20 o   21.956   2.9778   72.137   16.975   72.137   16.975   72.137   16.975   21.956   2.9778   21.956   2.9778 0.000000 0.000000 
1 1 1   11    0   21 o   19.143   3.9685   60.247   18.355   60.247   18.355   60.247   18.355   19.143   3.9685   19.143   3.9685 0.000000 0.000000 
1 1 1   11    0   22 o   18.550   3.4358   55.318   15.692   55.318   15.692   55.318   15.692   18.550   3.4358   18.550   3.4358 0.000000 0.000000 
1 1 1   11    1    0 o   5.2838   3.3501   1.2997   10.490   1.2997   10.490   1.2997   10.490   5.2838   3.3501   5.2838   3.3501 0.000000 0.000000 
1 1 1   11    1    1 o   95.456   0.9862  1248.67   25.778  1281.91   37.209  1217.98   35.745   96.675   1.4056   94.236   1.3852 2.439003 1.973419 
1 1 1   11    1    2 o   22.514   1.1664   69.676   7.1666   51.839   10.973   82.944   9.4638   19.305   2.1101   24.550   1.4137 -5.244793 2.539874 
1 1 1   11    1    3 o   70.138   0.7616  673.905   14.628  685.994   20.778  662.027   20.596   70.745   1.0726   69.498   1.0822 1.247482 1.523693 
1 1 1   11    1    4 o   37.738   1.1521  195.242   11.905  160.666   18.718  218.733   15.428   34.130   2.0116   39.931   1.4110 -5.800827 2.457146 
1 1 1   11    1    5 o   18.075   1.2779   45.026   6.2841   44.281   8.7267   45.829   9.0564   17.864   1.8089   18.171   1.8456 -0.3077068 2.584297 
1 1 1   11    1    6 o   67.241   0.9181  619.598   16.905  596.695   28.780  631.661   20.888   65.927   1.5942   67.877   1.1238 -1.949791 1.950483 
1 1 1   11    1    7 o   28.197   1.7607  109.659   13.527  104.580   19.155  114.711   19.106   27.416   2.5819   28.745   2.4506 -1.329632 3.559718 
1 1 1   11    1    8 o   60.844   1.0793  507.600   17.983  495.227   23.942  523.615   27.239   60.063   1.4557   61.743   1.6111 -1.679558 2.171303 
1 1 1   11    1    9 o   58.680   1.0091  472.096   16.214  444.222   23.682  496.691   22.246   56.872   1.5207   60.156   1.3504 -3.284645 2.033733 
1 1 1   11    1   10 o   47.724   1.0821  312.378   14.141  320.681   19.657  303.471   20.359   48.317   1.4857   46.992   1.5821 1.324577 2.170308 
1 1 1   11    1   11 o   29.250   1.4810  117.857   11.824  121.253   16.550  114.315   16.899   29.588   2.0553   28.706   2.1658 0.8816814 2.985796 
1 1 1   11    1   12 o   57.414   1.2992  452.708   20.427  437.976   30.867  464.187   27.245   56.355   2.0002   58.073   1.7133 -1.717163 2.633664 
1 1 1   11    1   13 o   31.117   1.4451  133.129   12.314  149.330   17.721  118.005   17.123   32.837   1.9801   29.143   2.1610 3.694374 2.930997 
1 1 1   11    1   14 o   14.631   3.1096   31.024   12.074   31.235   16.620   30.789   17.571   14.610   4.0255   14.534   4.1869 0.7536411E-01 5.808135 
1 1 1   11    1   15 o   31.908   1.5342  140.221   13.405  133.447   19.336  146.488   18.600   30.932   2.2992   32.463   2.1037 -1.530891 3.116329 
1 1 1   11    1   16 o   61.521   1.0854  520.008   18.285  533.121   26.253  507.653   25.482   62.182   1.5418   60.681   1.5335 1.501156 2.174591 
1 1 1   11    1   17 o   13.651   3.1933   27.479   11.725   27.721   16.962   27.257   16.225   13.697   4.1578   13.574   4.0544 0.1227312 5.807318 
1 1 1   11    1   18 f   19.895   3.3616   58.550   17.661   83.586   23.930   28.601   26.173   23.618   3.8314   14.221   5.1808 9.396458 6.443590 
1 1 1   11    1   19 o   41.357   1.3087  236.990   14.821  243.691   20.625  229.834   21.313   41.715   1.8055   40.451   1.9241 1.264381 2.638564 
1 1 1   11    1   20 o   7.4683   3.2087   1.4581   11.810  -5.4981   17.143   7.7414   16.293   7.9386   3.6089   9.3860   3.8844 -1.447477 5.302146 
1 1 1   11    1   21 o   8.6662   3.5311   7.9316   13.197   7.6255   17.584   8.3264   19.971   9.3301   3.9591   9.7622   4.1828 -0.4320107 5.759432 
1 1 1   11    1   22 o   4.8082   2.3588 -18.2092   10.619 -13.0507   15.285 -23.0214   14.763   6.5337   3.1103   5.6982   2.7926 0.8354816 4.179991 
1 1 1   11    2    0 o   24.537   2.3482   84.873   15.446   84.873   15.446   84.873   15.446   24.537   2.3482   24.537   2.3482 0.000000 0.000000 
1 1 1   11    2    1 o   28.115   1.2255  108.373   9.4347  107.726   15.665  108.741   11.819   27.920   2.0636   28.109   1.5413 -0.1892204 2.575656 
1 1 1   11    2    2 o   72.592   1.1166  722.340   22.197  901.745   45.502  666.317   25.427   80.995   2.0515   69.703   1.3322 11.29240 2.446119 
1 1 1   11    2    3 o   33.682   0.8208  155.433   7.5705  169.783   10.946  142.275   10.481   35.192   1.1359   32.214   1.1882 2.978710 1.643779 
1 1 1   11    2    4 o   41.977   0.7541  241.396   8.6688  244.474   12.414  238.467   12.111   42.232   1.0734   41.710   1.0603 0.5214996 1.508825 
1 1 1   11    2    5 f   61.800   0.8125  523.277   13.750  516.686   20.782  528.408   18.337   61.382   1.2364   62.086   1.0786 -0.7039795 1.640713 
1 1 1   11    2    6 o   17.963   1.6671   44.687   8.1068   42.365   18.295   45.254   9.0430   17.111   3.9797   18.053   1.8557 -0.9418869 4.391084 
1 1 1   11    2    7 o   75.742   1.1213  786.609   23.257  760.641   32.536  813.739   33.255   74.426   1.5964   76.982   1.5775 -2.556557 2.244377 
1 1 1   11    2    8 o   55.250   1.1051  418.594   16.719  377.704   21.349  483.443   26.886   52.450   1.4864   59.320   1.6551 -6.869617 2.224625 
1 1 1   11    2    9 o   23.985   1.5604   79.357   10.193   86.292   14.368   72.332   14.462   24.939   2.1242   22.780   2.3522 2.159016 3.169439 
1 1 1   11    2   10 o   63.115   0.9585  546.162   16.566  547.076   23.479  545.256   23.377   63.124   1.3583   63.019   1.3547 0.1046333 1.918373 
1 1 1   11    2   11 o   19.884   2.0457   55.071   10.980   45.065   15.075   66.376   16.024   17.728   3.2241   21.715   2.7569 -3.986425 4.242091 
1 1 1   11    2   12 o   43.076   1.3482  254.906   15.903  279.260   19.416  205.265   27.721   45.060   1.5735   38.385   2.6536 6.675461 3.085028 
1 1 1   11    2   13 o   52.509   1.1945  378.621   17.175  379.812   26.267  377.732   22.700   52.488   1.8275   52.389   1.5823 0.9904861E-01 2.417321 
1 1 1   11    2   14 o   21.102   2.1075   62.177   12.015   68.375   16.965   55.940   17.019   21.961   2.8913   19.734   3.2637 2.227854 4.360202 
1 1 1   11    2   15 o   30.045   1.5797  124.720   12.951  134.110   18.540  115.771   18.099   31.031   2.1960   28.792   2.3152 2.238670 3.190994 
1 1 1   11    2   16 o   16.706   2.8881   40.214   12.734   25.434   19.672   50.874   16.707   13.487   4.5208   18.691   3.3889 -5.203954 5.649987 
1 1 1   11    2   17 o   20.478   2.1453   59.033   11.852   62.216   17.466   56.317   16.134   20.706   3.1822   19.712   3.0906 0.9943066 4.436018 
1 1 1   11    2   18 o   23.310   2.7006   78.105   16.919   74.917   24.177   81.164   23.685   22.153   4.1376   23.228   3.8592 -1.074492 5.657972 
1 1 1   11    2   19 o   9.0091   3.4394   9.3755   11.806   22.952   17.491  -1.9842   16.000   12.363   4.2610   8.1963   3.6230 4.166731 5.593050 
1 1 1   11    2   20 o   25.531   1.7187   92.315   11.946   92.028   16.687   92.615   17.108   25.062   2.4634   25.102   2.5230 -0.4084778E-01 3.526166 
1 1 1   11    2   21 o   9.4534   3.6147   12.475   13.052   21.648   17.658   1.4270   19.379   11.465   4.2425   8.8669   3.9497 2.598179 5.796447 
1 1 1   11    2   22 o   22.224   1.9186   72.156   11.562   68.440   15.701   76.556   17.087   20.923   2.8117   22.057   2.8992 -1.134808 4.038696 
1 1 1   11    3    0 o   16.764   2.5444   41.150   10.883   41.150   10.883   41.150   10.883   16.764   2.5444   16.764   2.5444 0.000000 0.000000 
1 1 1   11    3    1 o   59.359   0.8552  482.767   13.901  490.697   19.956  475.293   19.376   59.823   1.2182   58.878   1.2018 0.9453468 1.711200 
1 1 1   11    3    2 o   33.091   0.8988  150.043   8.1448  149.631   12.808  150.323   10.553   33.026   1.4163   33.113   1.1639 -0.8664322E-01 1.833140 
1 1 1   11    3    3 o   69.047   0.8264  653.194   15.624  664.018   24.283  645.547   20.411   69.584   1.2744   68.625   1.0861 0.9596329 1.674441 
1 1 1   11    3    4 o   73.377   0.8445  737.734   16.969  747.553   25.872  730.321   22.480   73.829   1.2797   72.987   1.1247 0.8420868 1.703733 
1 1 1   11    3    5 o   75.533   1.0021  781.976   20.726  742.409   39.890  796.607   24.258   73.484   1.9824   76.223   1.1622 -2.738358 2.297926 
1 1 1   11    3    6 o   86.321   1.1204  1021.65   26.484  1097.68   72.160  1009.82   28.471   89.101   2.9575   85.809   1.2117 3.292236 3.196062 
1 1 1   11    3    7 f   12.271   2.7802   21.626   9.1258   26.639   13.084   16.877   12.735   13.594   3.4952   11.189   3.6328 2.405509 5.041233 
1 1 1   11    3    8 o   61.594   1.0518  520.179   17.741  523.824   22.845  514.643   28.157   61.780   1.3504   61.197   1.6802 0.5833435 2.155617 
1 1 1   11    3    9 o   24.019   1.5808   79.609   10.339   82.389   14.434   76.679   14.817   24.351   2.1879   23.461   2.3375 0.8909378 3.201688 
1 1 1   11    3   10 o  120.472   1.1835  1991.49   39.044  1982.64   55.242  2000.33   55.191  120.071   1.6801  120.608   1.6711 -0.5370941 2.369698 
1 1 1   11    3   11 o   24.888   1.8258   85.746   12.356   83.888   15.863   88.614   19.704   24.519   2.3931   25.095   2.9219 -0.5762138 3.776877 
1 1 1   11    3   12 o   38.346   1.4707  202.149   15.443  216.872   18.608  169.571   27.681   39.689   1.7122   34.793   2.9327 4.896198 3.395919 
1 1 1   11    3   13 o   40.526   1.3686  225.756   15.188  223.427   23.345  227.465   19.999   40.149   2.1310   40.621   1.7979 -0.4719543 2.788107 
1 1 1   11    3   14 f   20.383   2.1757   58.135   11.956   64.812   16.917   51.473   16.899   21.347   2.9748   18.873   3.3947 2.474594 4.513694 
1 1 1   11    3   15 o   31.119   1.5100  133.393   12.868  110.113   18.345  155.939   18.054   28.045   2.4122   33.519   1.9757 -5.473709 3.118051 
1 1 1   11    3   16 o   54.056   1.1485  401.762   17.000  420.665   24.671  384.671   23.459   55.195   1.6323   52.784   1.6230 2.411602 2.301841 
1 1 1   11    3   17 o   16.028   2.8759   37.353   12.158   48.360   19.035   29.768   15.802   17.908   3.9845   14.083   3.9418 3.825379 5.604798 
1 1 1   11    3   18 o   32.844   1.9738  151.374   17.670  170.445   25.848  134.643   24.210   34.468   2.7617   30.523   2.9327 3.945419 4.028367 
1 1 1   11    3   19 o   30.013   1.6305  126.215   13.350  144.620   21.888  115.312   16.846   31.628   2.5489   28.428   2.1806 3.199730 3.354437 
1 1 1   11    3   20 o   9.8630   3.4902   14.232   11.781   3.4306   17.330   23.512   16.063   8.9288   3.8617   12.064   4.0849 -3.135660 5.621292 
1 1 1   11    3   21 o   10.627   3.5700   18.327   12.268  -1.7789   17.297   38.680   17.403   8.1142   3.6631   14.797   4.1349 -6.682575 5.524158 
1 1 1   11    3   22 o   10.640   3.4749   19.041   11.645   27.532   15.202   6.9823   18.117   12.376   3.9642   9.0686   3.9352 3.307448 5.585780 
1 1 1   11    4    0 o   50.968   1.2235  356.560   17.054  356.560   17.054  356.560   17.054   50.968   1.2235   50.968   1.2235 0.000000 0.000000 
1 1 1   11    4    1 o   57.859   0.8731  458.699   13.833  440.285   19.286  478.206   19.851   56.664   1.2430   59.054   1.2275 -2.390911 1.746945 
1 1 1   11    4    2 o   69.986   0.8941  671.167   17.136  658.097   26.412  680.666   22.518   69.261   1.3926   70.460   1.1671 -1.198082 1.816959 
1 1 1   11    4    3 o  114.357   1.2066  1793.22   37.785  1780.71   53.046  1806.11   53.835  113.873   1.7012  114.680   1.7143 -0.8064651 2.415119 
1 1 1   11    4    4 o   34.272   0.9255  160.964   8.6861  164.901   14.010  158.505   11.071   34.664   1.4759   33.999   1.1891 0.6651535 1.895336 
1 1 1   11    4    5 o   20.561   1.3750   58.265   7.6972   65.448   13.857   55.059   9.2566   21.668   2.3742   19.948   1.7111 1.720215 2.926574 
1 1 1   11    4    6 o   42.456   1.0254  247.102   11.922  307.633   23.466  226.043   13.841   47.310   1.8113   40.595   1.2451 6.714912 2.197990 
1 1 1   11    4    7 o   32.861   0.9913  148.029   8.9202  162.679   15.049  140.093   11.076   34.414   1.5969   31.955   1.2657 2.459127 2.037680 
1 1 1   11    4    8 o   44.804   1.1372  275.337   13.952  279.659   17.962  268.763   22.154   45.129   1.4535   44.204   1.8302 0.9252853 2.337152 
1 1 1   11    4    9 o   73.763   0.9797  746.040   19.789  729.978   27.894  762.317   28.080   72.911   1.3971   74.512   1.3762 -1.600708 1.961055 
1 1 1   11    4   10 o   26.490   1.6611   96.884   11.988   88.740   19.595  101.755   15.156   25.128   2.9011   27.092   2.0583 -1.964388 3.557107 
1 1 1   11    4   11 o   44.609   1.3645  273.369   16.668  266.828   23.778  279.687   23.371   43.993   1.9738   45.053   1.8943 -1.059811 2.735764 
1 1 1   11    4   12 o   35.511   1.3689  173.298   13.311  174.675   18.703  171.884   18.948   35.536   1.9293   35.242   1.9713 0.2936974 2.758310 
1 1 1   11    4   13 o   75.991   1.1921  793.100   24.808  793.530   36.141  792.718   34.113   75.880   1.7393   75.868   1.6420 0.1182556E-01 2.391955 
1 1 1   11    4   14 o   52.902   1.0960  384.285   15.877  372.149   22.585  396.145   22.325   51.978   1.5867   53.641   1.5199 -1.662922 2.197247 
1 1 1   11    4   15 o   34.846   1.3981  167.163   13.341  167.398   19.135  166.940   18.609   34.712   2.0219   34.677   1.9678 0.3440475E-01 2.821415 
1 1 1   11    4   16 o   41.060   1.3074  232.179   14.700  212.572   20.437  253.197   21.159   39.160   1.9059   42.765   1.8069 -3.605026 2.626232 
1 1 1   11    4   17 o   20.353   2.2620   58.674   12.393   75.532   19.193   46.617   16.231   22.797   3.1594   17.714   3.4703 5.082863 4.693071 
1 1 1   11    4   18 o   32.092   1.8326  144.288   16.038  145.779   21.649  142.475   23.876   31.953   2.4940   31.418   2.8047 0.5348682 3.753205 
1 1 1   11    4   19 o   8.8243   3.3587   9.2663   11.237   19.311   15.986  -0.5431   15.797   11.449   4.0641   8.2585   3.6272 3.189998 5.447309 
1 1 1   11    4   20 o   7.1090   3.0796   0.8443   11.057   6.0885   15.594  -4.4580   15.680   8.9074   3.7512   7.6158   3.4581 1.291524 5.101958 
1 1 1   11    4   21 o   17.900   2.7360   49.441   12.985   39.855   17.325   61.728   19.615   14.993   4.1014   19.016   3.8980 -4.022573 5.658209 
1 1 1   11    4   22 o   10.047   3.2865   16.674   10.415   27.860   15.002   6.2663   14.471   12.421   3.9338   8.3997   3.5787 4.020921 5.318122 
1 1 1   11    5    0 f   42.914   1.3294  253.106   15.589  253.106   15.589  253.106   15.589   42.914   1.3294   42.914   1.3294 0.000000 0.000000 
1 1 1   11    5    1 o   95.390   1.0906  1247.40   28.487  1255.89   41.001  1239.47   39.608   95.651   1.5654   95.030   1.5221 0.6204453 2.183364 
1 1 1   11    5    2 o   65.261   0.8724  583.596   15.590  577.144   24.411  588.041   20.260   64.860   1.3744   65.491   1.1297 -0.6307068 1.779110 
1 1 1   11    5    3 o   77.284   0.9026  818.503   19.103  831.489   30.713  810.310   24.396   77.841   1.4409   76.874   1.1589 0.9669800 1.849096 
1 1 1   11    5    4 o   69.973   0.8636  670.940   16.547  673.105   26.077  669.480   21.409   70.042   1.3596   69.876   1.1189 0.1652298 1.760788 
1 1 1   11    5    5 o   41.747   0.8654  238.832   9.8934  235.828   16.237  240.606   12.477   41.451   1.4304   41.891   1.0877 -0.4392700 1.797015 
1 1 1   11    5    6 o   35.500   0.9374  172.746   9.1128  167.798   15.186  175.530   11.392   34.952   1.5867   35.775   1.1629 -0.8223839 1.967161 
1 1 1   11    5    7 o  118.912   1.1460  1939.48   37.317  1929.39   52.124  1950.09   53.448  118.501   1.6063  119.127   1.6385 -0.6255951 2.294496 
1 1 1   11    5    8 o   23.509   1.8241   76.489   11.651   84.820   14.828   63.044   18.837   24.704   2.2154   21.031   3.3857 3.673048 4.046135 
1 1 1   11    5    9 o   53.915   1.1096  398.781   16.382  383.164   20.668  425.177   26.869   52.815   1.4290   55.588   1.7652 -2.772976 2.271103 
1 1 1   11    5   10 o   17.905   2.2676   44.971   10.869   37.827   15.615   51.686   15.139   16.133   3.6231   19.062   2.9993 -2.929127 4.703474 
1 1 1   11    5   11 f   51.263   1.3602  361.066   19.094  398.741   27.825  327.537   26.249   53.785   1.8892   48.733   1.9670 5.051884 2.727309 
1 1 1   11    5   12 o   7.8988   3.2640   2.6895   11.479   3.2861   16.271   2.0982   16.197   9.2841   3.8652   9.0959   3.8264 0.1881609 5.438868 
1 1 1   11    5   13 o   28.902   1.7506  115.584   13.790  110.454   21.435  119.207   18.012   28.013   2.8333   29.251   2.2663 -1.238590 3.628206 
1 1 1   11    5   14 o   85.488   1.1636  1004.09   27.240  1008.20   36.242  998.761   41.299   85.549   1.5471   85.066   1.7729 0.4826279 2.353011 
1 1 1   11    5   15 o   16.605   2.8264   39.655   12.391   50.310   18.709   31.330   16.538   18.457   3.8274   14.543   4.0190 3.913567 5.549871 
1 1 1   11    5   16 o   47.973   1.3049  317.106   17.142  320.773   27.080  314.655   22.143   48.024   2.0592   47.683   1.6958 0.3404541 2.667629 
1 1 1   11    5   17 o   14.399   3.5366   31.261   13.843   44.648   27.003   26.488   16.123   16.783   5.2730   13.274   4.0589 3.509228 6.654236 
1 1 1   11    5   18 o   11.011   3.7288   17.553   13.385   11.943   19.746   22.322   18.206   10.825   4.3519   12.345   4.3419 -1.519369 6.147504 
1 1 1   11    5   19 o   19.174   2.1861   53.182   11.273   84.433   16.217   23.962   15.681   24.027   2.5015   12.285   4.0333 11.74163 4.746019 
1 1 1   11    5   20 o   24.346   1.7352   84.630   11.493   88.280   16.522   81.208   15.997   24.335   2.5157   23.308   2.5478 1.026525 3.580504 
1 1 1   11    5   21 o   12.758   3.5124   27.547   12.659   15.642   16.780   43.275   19.286   10.224   4.0442   15.272   4.3827 -5.047261 5.963559 
1 1 1   11    5   22 o   14.492   2.7971   33.479   10.698   29.944   15.121   37.021   15.137   12.819   3.9326   14.426   3.7847 -1.606793 5.457962 
1 1 1   11    6    0 o   20.226   2.1232   57.978   11.463   57.978   11.463   57.978   11.463   20.226   2.1232   20.226   2.1232 0.000000 0.000000 
1 1 1   11    6    1 o   47.601   0.8161  310.467   10.637  323.409   17.006  302.151   13.633   48.556   1.2790   46.947   1.0605 1.609261 1.661474 
1 1 1   11    6    2 o   41.521   0.9271  236.281   10.541  270.134   21.817  225.971   12.040   44.336   1.7970   40.598   1.0830 3.737839 2.098165 
1 1 1   11    6    3 o   23.720   1.1415   77.154   7.4146   69.207   11.486   82.831   9.7084   22.356   1.8940   24.523   1.4522 -2.166933 2.386678 
1 1 1   11    6    4 o   67.699   0.8502  628.067   15.762  659.297   25.264  608.164   20.169   69.317   1.3310   66.597   1.1060 2.719780 1.730500 
1 1 1   11    6    5 o   82.605   0.9307  935.307   21.053  967.174   32.399  912.018   27.697   83.940   1.4095   81.535   1.2405 2.405106 1.877657 
1 1 1   11    6    6 o   37.187   0.9344  189.572   9.5153  203.850   15.926  181.645   11.866   38.525   1.5096   36.388   1.1908 2.137318 1.922790 
1 1 1   11    6    7 o   48.009   0.8678  315.927   11.409  298.637   17.971  327.599   14.766   46.635   1.4072   48.871   1.1034 -2.236279 1.788228 
1 1 1   11    6    8 o   25.844   1.2208   91.666   8.6395  113.256   14.955   80.851   10.584   28.614   1.9197   24.198   1.6065 4.415812 2.503189 
1 1 1   11    6    9 o   61.371   1.1127  516.775   18.700  508.179   23.902  530.339   30.024   60.816   1.4353   62.073   1.7663 -1.256226 2.275956 
1 1 1   11    6   10 o   43.216   1.2542  256.448   14.842  275.892   19.264  228.051   23.280   44.787   1.5707   40.594   2.1015 4.193253 2.623635 
1 1 1   11    6   11 o   55.846   1.0553  427.975   16.138  455.646   23.331  402.587   22.347   57.560   1.4802   54.100   1.5085 3.459709 2.113404 
1 1 1   11    6   12 o   22.341   1.9664   69.436   11.907   92.877   17.363   48.623   16.360   25.754   2.4931   18.345   3.3813 7.409231 4.201106 
1 1 1   11    6   13 o   66.897   1.2471  615.053   22.845  604.907   31.616  626.139   33.048   66.225   1.7434   67.363   1.7916 -1.138412 2.499854 
1 1 1   11    6   14 o   29.031   1.8014  116.867   14.250  124.940   18.464  104.973   22.410   29.912   2.2711   27.179   3.0646 2.733393 3.814391 
1 1 1   11    6   15 o   50.635   1.2182  352.795   16.891  344.092   22.903  363.174   25.011   49.896   1.6762   51.230   1.7829 -1.333393 2.447088 
1 1 1   11    6   16 o   24.509   1.8093   83.836   12.057   96.089   18.178   74.212   16.111   26.004   2.5872   22.809   2.6274 3.194483 3.687435 
1 1 1   11    6   17 o   10.423   3.8183   13.902   14.246   15.772   24.431   12.939   17.535   12.146   4.8556   10.747   4.1684 1.399253 6.399409 
1 1 1   11    6   18 o   20.500   2.4055   60.830   13.247   73.077   18.764   48.661   18.704   22.067   3.1986   17.513   3.9893 4.553814 5.113252 
1 1 1   11    6   19 o   16.578   2.6374   41.189   11.572   65.813   17.338   21.409   15.539   20.682   3.1617   11.634   4.0158 9.048698 5.111094 
1 1 1   11    6   20 o   6.3582   2.8996  -4.2753   11.178  -6.7537   15.397  -1.5134   16.254   7.2057   3.3288   7.9415   3.5713 -0.7358627 4.882111 
1 1 1   11    6   21 o   20.400   2.1970   62.062   12.080   74.351   20.104   55.119   15.112   20.999   3.6273   18.515   3.0895 2.484852 4.764740 
1 1 1   11    7    0 o   61.425   1.3104  517.848   22.018  517.848   22.018  517.848   22.018   61.425   1.3104   61.425   1.3104 0.000000 0.000000 
1 1 1   11    7    1 o   32.861   1.0150  148.040   9.1331  139.800   13.182  155.649   12.666   31.908   1.5086   33.677   1.3735 -1.768373 2.040179 
1 1 1   11    7    2 o   20.891   1.4371   60.193   8.1710   49.659   11.921   69.526   11.221   18.833   2.3636   22.411   1.8449 -3.577469 2.998411 
1 1 1   11    7    3 o   43.068   0.9573  254.264   11.290  264.354   16.593  245.568   15.405   43.886   1.3807   42.301   1.3299 1.584339 1.917026 
1 1 1   11    7    4 o   60.630   0.9321  503.909   15.475  496.460   22.185  510.969   21.597   60.142   1.3471   61.020   1.2925 -0.8785057 1.866868 
1 1 1   11    7    5 o   33.326   1.2944  152.423   11.812  168.005   21.749  145.904   14.067   34.825   2.2935   32.586   1.5765 2.238678 2.783065 
1 1 1   11    7    6 o   22.054   1.6082   67.204   9.6451   58.591   13.845   75.326   13.444   20.438   2.5277   23.280   2.1326 -2.842659 3.307165 
1 1 1   11    7    7 o   43.502   0.8857  259.433   10.551  265.205   17.357  256.049   13.288   43.938   1.4426   43.201   1.1233 0.7370720 1.828301 
1 1 1   11    7    8 o   22.914   1.3994   72.398   8.7387   64.139   14.772   76.844   10.839   21.374   2.5757   23.573   1.6903 -2.199421 3.080792 
1 1 1   11    7    9 o   58.242   1.3122  465.914   20.928  464.091   23.322  473.451   47.421   58.106   1.4657   58.258   2.9825 -0.1527061 3.323217 
1 1 1   11    7   10 o   37.743   1.3485  195.751   13.937  201.501   18.432  188.077   21.296   38.244   1.7600   36.838   2.1201 1.406445 2.755414 
1 1 1   11    7   11 o   47.369   1.0954  308.012   14.209  307.983   20.358  308.039   19.841   47.302   1.5717   47.312   1.5314 -0.1071167E-01 2.194420 
1 1 1   11    7   12 o   44.129   1.1591  267.464   14.006  284.108   20.244  252.183   19.398   45.412   1.6280   42.780   1.6559 2.632046 2.322107 
1 1 1   11    7   13 o   37.295   1.3854  191.408   14.149  185.777   22.151  195.290   18.389   36.532   2.2249   37.608   1.7856 -1.076702 2.852804 
1 1 1   11    7   14 o   9.8041   3.4640   12.150   11.601   7.7476   17.180   15.839   15.728   10.080   4.0569   11.220   4.0260 -1.139460 5.715523 
1 1 1   11    7   15 o   11.790   3.4516   20.326   11.856   6.8903   17.240   32.382   16.331   9.9043   4.0357   14.688   3.9670 -4.783680 5.658975 
1 1 1   11    7   16 f   13.546   3.2725   27.454   12.003   51.068   19.061   11.935   15.452   18.325   3.9172   10.291   3.9334 8.034483 5.551230 
1 1 1   11    7   17 o   15.605   3.2168   36.743   13.289   47.479   20.183   28.528   17.656   17.276   4.2868   13.538   4.2655 3.737650 6.047368 
1 1 1   11    7   18 o   7.6836   3.3056   1.3881   12.564   14.771   17.415 -13.1415   18.145   10.706   4.1537   7.5141   3.5189 3.192047 5.443875 
1 1 1   11    7   19 o   12.996   3.8306   28.193   14.559   75.989   25.190   4.2197   17.840   20.844   4.5417   9.0216   3.9099 11.82236 5.992848 
1 1 1   11    7   20 o   12.599   3.2542   26.094   11.306   23.562   15.025   29.399   17.166   11.687   3.9508   12.782   4.2210 -1.095713 5.781468 
1 1 1   11    7   21 o   10.520   3.3947   18.639   11.132  -7.1436   16.486   40.248   15.093   7.2619   3.3854   15.212   3.6663 -7.949993 4.990273 
1 1 1   11    8    0 o  119.588   2.0006  1965.20   65.473  1965.20   65.473  1965.20   65.473  119.588   2.0006  119.588   2.0006 0.000000 0.000000 
1 1 1   11    8    1 o   69.115   1.1558  655.274   21.876  821.544   53.819  622.367   23.943   77.111   2.5488   67.341   1.2984 9.769600 2.860453 
1 1 1   11    8    2 o   56.438   0.9166  436.639   14.166  425.385   20.329  447.266   19.753   55.669   1.3335   57.090   1.2635 -1.421192 1.837062 
1 1 1   11    8    3 o   16.673   1.7969   38.681   8.0748   28.921   11.526   48.088   11.316   14.171   3.0597   18.534   2.2774 -4.363016 3.814279 
1 1 1   11    8    4 o   67.237   1.0963  620.098   20.185  594.122   33.464  634.954   25.307   65.702   1.8600   68.004   1.3590 -2.302689 2.303586 
1 1 1   11    8    5 o   26.254   1.5611   95.070   11.173  142.049   21.669   78.057   13.040   31.958   2.4959   23.715   2.0275 8.243513 3.215616 
1 1 1   11    8    6 o   41.696   1.0648  238.479   12.158  228.698   17.640  247.331   16.781   40.786   1.5794   42.429   1.4443 -1.643162 2.140190 
1 1 1   11    8    7 o   60.269   1.0107  498.216   16.679  486.030   23.534  510.516   23.643   59.472   1.4451   60.956   1.4165 -1.484032 2.023513 
1 1 1   11    8    8 o   28.220   1.4518  109.754   11.181  113.814   15.874  105.757   15.752   28.650   2.0366   27.601   2.0999 1.049212 2.925282 
1 1 1   11    8    9 o   46.792   1.1312  300.556   14.495  300.240   20.126  300.897   20.893   46.711   1.5734   46.753   1.6319 -0.4231262E-01 2.266910 
1 1 1   11    8   10 o   29.837   1.4725  122.462   12.031  115.761   17.242  128.821   16.796   28.845   2.1994   30.473   2.0242 -1.628038 2.989138 
1 1 1   11    8   11 f   44.245   1.1480  268.859   13.909  260.628   19.833  276.827   19.513   43.489   1.6654   44.833   1.5894 -1.344013 2.302094 
1 1 1   11    8   12 o   33.006   1.4064  149.923   12.711  132.450   17.880  167.778   18.074   30.851   2.1295   34.792   1.9043 -3.940966 2.856794 
1 1 1   11    8   13 o   24.576   1.9035   84.076   12.710   73.010   19.949   91.637   16.490   22.501   3.3390   25.549   2.3846 -3.047789 4.103109 
1 1 1   11    8   14 o   9.9776   3.4200   13.232   11.261   14.431   16.864   12.267   15.128   11.085   4.1373   10.404   3.9115 0.6811390 5.693615 
1 1 1   11    8   15 o   20.088   2.4729   57.585   13.316   55.963   26.344   58.142   15.432   18.807   5.0211   20.040   2.8962 -1.233803 5.796494 
1 1 1   11    8   16 o   17.721   2.5442   45.449   11.992   56.097   17.228   35.442   16.702   19.368   3.3709   15.112   3.9807 4.255811 5.216216 
1 1 1   11    8   17 o   18.821   2.6737   52.128   13.392   42.745   19.761   60.098   18.213   16.165   4.3629   19.785   3.4893 -3.620295 5.586574 
1 1 1   11    8   18 o   19.363   2.4513   55.384   12.706   71.298   17.982   39.515   17.957   21.534   3.1420   15.299   4.1715 6.235532 5.222394 
1 1 1   11    8   19 o   7.1281   3.0794   1.6098   10.996   8.0925   15.322  -5.2744   15.789   8.9992   3.7491   7.4432   3.4139 1.555933 5.070494 
1 1 1   11    8   20 o   10.915   3.6180   20.215   12.607   28.994   16.722   8.6553   19.189   12.593   4.1665   9.4363   4.0723 3.156815 5.826118 
1 1 1   11    9    0 o   47.970   1.8263  317.257   23.912  317.257   23.912  317.257   23.912   47.970   1.8263   47.970   1.8263 0.000000 0.000000 
1 1 1   11    9    1 o   40.264   0.9880  222.318   10.893  234.232   20.459  217.604   12.869   41.254   1.8111   39.822   1.1801 1.432060 2.161605 
1 1 1   11    9    2 o   77.057   0.9195  814.087   19.403  792.052   30.197  829.583   25.323   75.931   1.4523   77.752   1.1893 -1.820999 1.877133 
1 1 1   11    9    3 o   36.526   1.0470  182.992   10.472  247.536   23.604  167.175   11.685   42.377   2.0341   34.900   1.2227 7.477184 2.373262 
1 1 1   11    9    4 o   68.434   0.8757  642.037   16.410  619.423   24.865  659.487   21.842   67.158   1.3520   69.325   1.1506 -2.167130 1.775335 
1 1 1   11    9    5 o   11.200   2.9330   18.068   9.1020   18.884   20.701   17.872   10.134   12.624   4.6062   11.180   3.1664 1.443834 5.589526 
1 1 1   11    9    6 o   67.951   0.9915  633.331   18.449  631.279   33.648  634.213   22.061   67.698   1.8151   67.972   1.1852 -0.2742767 2.167780 
1 1 1   11    9    7 o   46.770   0.9597  300.039   12.292  319.236   20.514  289.287   15.352   48.173   1.5551   45.899   1.2215 2.274029 1.977471 
1 1 1   11    9    8 o   23.075   1.9567   73.999   12.247   67.487   16.288   82.469   18.577   21.858   2.7845   24.177   2.8615 -2.318993 3.992690 
1 1 1   11    9    9 o   21.608   2.5751   65.732   14.936   76.804   16.503   15.595   35.118   23.368   2.6245   14.222   5.7733 9.146372 6.341820 
1 1 1   11    9   10 o   10.839   2.9375   16.957   8.9367   15.773   15.975   17.497   10.782   11.310   4.0576   11.084   3.3038 0.2264776 5.232497 
1 1 1   11    9   11 o   22.408   2.2432   70.318   13.580   56.562   23.610   77.120   16.601   19.454   4.5185   23.382   2.6390 -3.927908 5.232691 
1 1 1   11    9   12 o   33.340   1.3843  153.056   12.638  141.617   18.077  163.992   17.676   31.891   2.0814   34.377   1.8848 -2.486389 2.808000 
1 1 1   11    9   13 o   21.676   2.1182   65.937   12.412   74.651   19.600   60.102   16.039   22.732   3.2404   20.450   2.9493 2.281233 4.381623 
1 1 1   11    9   14 o   11.591   3.4118   19.747   11.556   26.282   18.271   15.389   14.919   13.378   4.3517   10.907   3.9203 2.471828 5.857152 
1 1 1   11    9   15 o   8.4181   3.2830   7.0018   10.922   21.345   16.294  -4.7018   14.719   12.139   4.1141   7.6233   3.4155 4.515858 5.347129 
1 1 1   11    9   16 o   14.657   3.3166   32.918   13.001   19.989   19.454   43.352   17.477   11.955   4.4473   16.578   3.9128 -4.622633 5.923546 
1 1 1   11    9   17 o   13.228   3.5407   27.923   13.079   37.161   15.510   5.1855   24.333   15.166   3.7547   10.356   4.5263 4.809199 5.880911 
1 1 1   11    9   18 o   23.533   2.1061   80.699   13.429   94.133   18.225   64.745   19.862   24.955   2.7106   19.785   3.8043 5.170835 4.671187 
1 1 1   11    9   19 o   17.397   2.2892   45.377   10.641   60.608   15.299   31.105   14.810   19.635   2.9356   13.339   3.8442 6.296087 4.836895 
1 1 1   11    9   20 o   7.8015   3.2602   5.7113   11.638  -6.7562   16.229   18.907   16.697   7.2345   3.3680   10.587   4.0784 -3.352513 5.289335 
1 1 1   11   10    0 o   30.947   1.8526  132.922   15.571  132.922   15.571  132.922   15.571   30.947   1.8526   30.947   1.8526 0.000000 0.000000 
1 1 1   11   10    1 o   17.869   1.7795   44.393   8.5916   62.026   16.358   37.675   10.096   20.931   2.9345   16.353   2.3197 4.578686 3.740634 
1 1 1   11   10    2 o   40.382   1.0035  223.678   11.097  240.716   20.579  216.692   13.178   41.809   1.7975   39.730   1.2112 2.078499 2.167469 
1 1 1   11   10    3 o   74.642   1.0104  764.255   20.652  744.534   37.375  772.924   24.779   73.510   1.8567   75.035   1.2060 -1.524536 2.213967 
1 1 1   11   10    4 o   46.057   1.0255  291.020   12.934  293.927   26.745  290.132   14.776   46.138   2.1169   45.973   1.1737 0.1648331 2.420532 
1 1 1   11   10    5 o   71.000   1.0034  691.578   19.508  694.528   36.314  690.381   23.128   70.978   1.8684   70.910   1.1911 0.6781006E-01 2.215736 
1 1 1   11   10    6 o   41.295   1.1900  234.170   13.457  213.721   25.383  242.164   15.870   39.211   2.3752   41.973   1.3808 -2.762039 2.747401 
1 1 1   11   10    7 o   6.7415   2.9644  -2.6037   10.579   5.7028   23.072  -4.8150   11.904   11.102   4.6107   6.8861   3.0794 4.215542 5.544464 
1 1 1   11   10    8 o   50.848   1.0031  354.819   13.967  345.492   21.468  361.663   18.390   50.093   1.5650   51.295   1.3093 -1.201622 2.040474 
1 1 1   11   10    9 f   27.407   1.7901  104.085   13.361  111.308   16.897   92.035   21.824   28.262   2.2007   25.423   3.2062 2.839699 3.888788 
1 1 1   11   10   10 o   29.994   1.4432  123.869   11.853   96.140   16.523  153.273   17.015   26.210   2.3262   33.250   1.8764 -7.039640 2.988675 
1 1 1   11   10   11 o   42.445   1.1939  247.740   13.877  262.450   20.494  235.285   18.858   43.587   1.7171   41.280   1.6683 2.307053 2.394042 
1 1 1   11   10   12 o   19.976   2.1656   56.163   11.656   57.633   16.228   54.596   16.753   19.978   3.0643   19.364   3.2763 0.6133213 4.485961 
1 1 1   11   10   13 o   16.073   3.2159   38.143   13.660   10.900   19.133   66.464   19.508   10.811   4.3051   21.241   3.4739 -10.43029 5.531940 
1 1 1   11   10   14 o   15.898   2.6766   36.835   11.239   23.462   16.912   47.410   15.040   12.617   4.1908   17.886   3.1876 -5.269238 5.265306 
1 1 1   11   10   15 o   27.488   1.5080  105.461   11.308  104.698   16.463  106.142   15.559   27.082   2.2400   27.339   2.0942 -0.2568855 3.066475 
1 1 1   11   10   16 o   15.307   3.1686   36.143   12.843   1.0079   18.779   67.023   17.605   9.0139   3.9569   20.982   3.1622 -11.96850 5.065244 
1 1 1   11   10   17 o   28.952   1.6749  119.051   13.222  125.138   18.595  112.826   18.804   29.191   2.3461   27.569   2.5186 1.621511 3.442061 
1 1 1   11   10   18 o   20.929   2.3130   65.327   13.035   89.124   20.340   48.742   16.980   23.631   3.2276   16.952   3.7565 6.678234 4.952683 
1 1 1   11   10   19 o   8.7551   3.2601   11.319   10.459   19.709   14.779   2.9007   14.804   10.741   3.8961   8.0153   3.5160 2.725581 5.248054 
1 1 1   11   11    0 o   29.417   2.9127  122.897   22.935  122.897   22.935  122.897   22.935   29.417   2.9127   29.417   2.9127 0.000000 0.000000 
1 1 1   11   11    1 o   15.415   2.3375   33.614   9.5577   50.529   21.991   29.675   10.612   18.497   4.4049   14.372   2.7973 4.124861 5.218012 
1 1 1   11   11    2 o   29.884   1.4093  122.770   11.533  149.054   46.083  121.014   11.912   31.641   5.5194   29.664   1.4664 1.976915 5.710838 
1 1 1   11   11    3 o   15.391   2.6369   33.791   10.714   32.492   22.266   34.182   12.221   15.103   4.7934   15.403   3.0054 -0.3001060 5.657638 
1 1 1   11   11    4 o   46.014   1.0082  290.524   12.703  296.896   18.887  285.260   17.166   46.457   1.4846   45.553   1.3762 0.9045143 2.024340 
1 1 1   11   11    5 o   42.222   1.3169  245.022   15.226   97.867   45.743  263.357   16.147   25.104   6.5758   43.770   1.3472 -18.66635 6.712405 
1 1 1   11   11    6 o   47.582   1.1365  310.909   14.809  334.459   29.092  302.672   17.205   49.162   2.1610   46.921   1.3390 2.241329 2.542222 
1 1 1   11   11    7 o   35.814   1.2799  176.316   12.552  193.291   26.683  171.492   14.224   37.172   2.6385   35.299   1.4716 1.873596 3.021143 
1 1 1   11   11    8 f   37.022   1.1857  188.346   12.020  134.450   24.407  205.604   13.812   30.867   2.9223   38.666   1.3045 -7.798546 3.200269 
1 1 1   11   11    9 o   52.203   1.4891  375.483   21.286  238.404   41.501  424.420   24.796   40.761   3.7605   55.465   1.6326 -14.70411 4.099576 
1 1 1   11   11   10 o   34.004   1.1326  158.970   10.546  172.492   18.383  152.338   12.875   35.237   1.9123   33.249   1.4141 1.987663 2.378387 
1 1 1   11   11   11 o   17.008   2.3828   41.176   10.793   42.265   14.896   39.974   15.659   16.957   3.3268   16.406   3.5857 0.5518036 4.891302 
1 1 1   11   11   12 o   16.454   2.4734   38.874   10.799   39.474   15.186   38.260   15.360   16.245   3.5159   15.962   3.6000 0.2828884 5.032041 
1 1 1   11   11   13 o   22.109   1.9707   68.897   11.806   68.752   19.282   68.984   14.933   21.514   3.3846   21.923   2.5342 -0.4085178 4.228212 
1 1 1   11   11   14 f   21.359   1.8055   64.365   10.461   68.659   15.078   60.380   14.526   21.741   2.5831   20.330   2.6740 1.410570 3.717929 
1 1 1   11   11   15 f   21.402   1.7870   64.995   10.377   70.233   14.922   60.089   14.440   21.878   2.5379   20.139   2.6853 1.738861 3.694801 
1 1 1   11   11   16 o   23.297   2.0194   78.410   12.756   58.179   18.619   96.305   17.511   18.903   3.7294   25.460   2.5457 -6.557335 4.515477 
1 1 1   11   11   17 o   23.578   1.8510   80.311   11.855  119.772   17.158   44.264   16.399   28.511   2.2151   16.146   3.7764 12.36488 4.378079 
1 1 1   11   11   18 f   20.387   2.0192   61.237   11.124   66.334   14.938   54.893   16.667   20.676   2.7031   18.108   3.4877 2.567804 4.412584 
1 1 1   11   12    0 o   56.925   2.0383  447.456   31.681  447.456   31.681  447.456   31.681   56.925   2.0383   56.925   2.0383 0.000000 0.000000 
1 1 1   11   12    1 o   85.291   1.2026  999.285   28.089  1007.99   46.285  994.211   35.340   85.424   1.9787   84.992   1.5185 0.4318237 2.494170 
1 1 1   11   12    2 o   59.686   1.1004  489.105   17.985  482.417   28.772  493.395   23.041   59.145   1.7765   59.895   1.4048 -0.7497635 2.264849 
1 1 1   11   12    3 o   15.247   2.3782   32.984   9.6054   26.978   15.721   36.562   12.133   13.637   3.9696   15.956   2.8831 -2.318056 4.906126 
1 1 1   11   12    4 o   34.632   1.1634  164.748   11.033  166.016   16.767  163.779   14.651   34.646   1.7732   34.486   1.5515 0.1598244 2.356139 
1 1 1   11   12    5 o   59.148   1.1215  480.523   18.165  477.856   33.345  481.648   21.661   58.759   2.0724   59.178   1.3367 -0.4184341 2.466081 
1 1 1   11   12    6 o   18.827   1.9819   49.562   10.064   46.315   22.532   50.371   11.249   17.581   4.6200   18.935   2.2111 -1.353741 5.121843 
1 1 1   11   12    7 o   52.982   1.3137  386.239   19.060   97.071   30.412  573.282   24.459   25.578   4.5066   64.531   1.3842 -38.95258 4.714395 
1 1 1   11   12    8 o   20.335   1.6889   57.509   9.3196   54.681   19.871   58.307   10.552   19.217   3.9091   20.434   1.9079 -1.216537 4.349828 
1 1 1   11   12    9 o   24.851   1.5201   85.559   10.295   82.027   16.352   87.878   13.250   24.086   2.5164   25.095   1.9433 -1.009016 3.179449 
1 1 1   11   12   10 o   31.482   1.1168  136.404   9.6276  116.550   15.657  148.476   12.209   28.874   1.9923   32.805   1.3590 -3.931007 2.411731 
1 1 1   11   12   11 o   31.071   1.1332  133.023   9.6414  130.134   15.628  134.799   12.250   30.508   1.8798   31.219   1.4330 -0.7101479 2.363740 
1 1 1   11   12   12 o   39.196   1.3140  212.543   14.103  226.232   22.438  203.603   18.133   40.094   2.0506   38.217   1.7327 1.876858 2.684599 
1 1 1   11   12   13 o   8.1120   3.1779   6.6609   10.270   5.6275   16.115   7.3677   13.327   9.2043   3.8406   8.9102   3.5777 0.2940769 5.248775 
1 1 1   11   12   14 o   9.5184   3.2042   13.273   9.8828   26.072   14.156   1.1039   13.803   12.746   3.7825   7.9297   3.4380 4.816669 5.111475 
1 1 1   11   12   15 o   6.3038   2.9426  -8.8247   12.521  -9.3122   17.376  -8.2982   18.059   7.5207   3.4958   7.7653   3.5936 -0.2446246 5.013476 
1 1 1   11   12   16 o   12.285   3.1693   24.485   10.732   17.046   14.786   32.768   15.602   10.429   3.8776   13.721   3.9431 -3.292356 5.530244 
1 1 1   11   12   17 o   8.1881   3.1938   8.6879   10.338   7.7848   14.420   9.6433   14.830   8.6605   3.6249   9.0045   3.7145 -0.3439722 5.190123 
1 1 1   11   13    0 o   9.5501   5.4266   17.323   22.055   17.323   22.055   17.323   22.055   9.5501   5.4266   9.5501   5.4266 0.000000 0.000000 
1 1 1   11   13    1 o   39.576   1.1246  215.164   12.188  229.893   29.110  212.034   13.420   40.522   2.6378   39.271   1.2480 1.250984 2.918079 
1 1 1   11   13    2 o   25.158   1.2904   87.274   8.8596   92.724   14.715   84.175   11.096   25.788   2.1021   24.650   1.6535 1.137877 2.674461 
1 1 1   11   13    3 f   55.945   1.1568  430.122   17.722  127.912   66.665  453.104   18.384   27.588   8.2133   57.418   1.1692 -29.82953 8.296135 
1 1 1   11   13    4 o   27.997   1.1613  107.739   8.9031  100.242   14.050  112.770   11.509   26.848   1.9238   28.572   1.4760 -1.723690 2.424802 
1 1 1   11   13    5 o   35.327   1.1740  171.593   11.356   37.558   22.855  215.536   13.086   15.881   4.8275   39.588   1.2072 -23.70638 4.976155 
1 1 1   11   13    6 o   44.632   1.0906  273.821   13.329   62.295   22.525  387.796   16.534   20.426   4.1683   53.106   1.1370 -32.67997 4.320542 
1 1 1   11   13    7 o   25.995   1.3597   93.394   9.6452   48.191   16.574  116.544   11.861   18.100   3.4702   29.020   1.4976 -10.92005 3.779608 
1 1 1   11   13    8 o   20.012   1.7001   55.867   9.2282   13.640   17.310   72.632   10.907   10.971   4.1704   22.822   1.7589 -11.85138 4.526135 
1 1 1   11   13    9 o   30.210   1.2631  125.909   10.449  125.346   16.464  126.288   13.521   29.903   2.0226   30.134   1.6447 -0.2310581 2.606921 
1 1 1   11   13   10 o   29.122   1.1703  117.010   9.3327  108.651   14.915  122.388   11.964   27.805   1.9718   29.719   1.4701 -1.914536 2.459509 
1 1 1   11   13   11 o   37.505   1.4500  195.344   14.892   69.247   22.126  299.785   20.136   21.135   3.9687   46.398   1.5849 -25.26276 4.273455 
1 1 1   11   13   12 o   23.773   1.4240   78.953   9.2272   76.265   16.322   80.216   11.186   22.811   2.6632   23.854   1.7241 -1.042923 3.172536 
1 1 1   11   13   13 o   17.112   2.0199   42.277   9.2824   50.989   18.018   39.130   10.830   17.760   3.8185   16.228   2.5187 1.531708 4.574342 
1 1 1   11   13   14 o   22.484   1.7626   72.307   10.765   54.699   16.385   85.680   14.279   18.541   3.3506   24.224   2.1759 -5.682938 3.995121 
1 1 1   11   13   15 o   18.527   2.5162   52.020   12.435   47.952   17.267   56.404   17.924   16.744   3.8467   18.349   3.6949 -1.604881 5.333833 
1 1 1   11   13   16 o   6.0457   2.7674  -4.1234   10.305  -6.3759   14.782  -1.9935   14.374   6.9898   3.2406   7.3582   3.3290 -0.3684316 4.645807 
1 1 1   11   14    0 o   15.888   3.7922   40.553   14.315   40.553   14.315   40.553   14.315   15.888   3.7922   15.888   3.7922 0.000000 0.000000 
1 1 1   11   14    1 o   16.376   1.8215   37.570   8.0297   25.653   13.590   43.961   9.9527   13.184   3.6432   17.669   2.0980 -4.484818 4.204109 
1 1 1   11   14    2 f   61.163   0.9191  513.686   15.393  509.027   24.537  516.708   19.766   60.745   1.4751   61.285   1.1778 -0.5396004 1.887659 
1 1 1   11   14    3 f   40.667   1.1307  227.467   12.592  105.826   28.531  256.891   14.032   26.798   4.0114   43.207   1.1860 -16.40940 4.183068 
1 1 1   11   14    4 o   11.526   2.6217   19.371   8.0882   21.517   12.685   17.900   10.499   12.124   3.5762   11.098   3.2479 1.026093 4.830990 
1 1 1   11   14    5 o   20.816   1.7284   60.444   9.7626  -2.9312   21.332   77.234   10.980   9.5537   4.2050   23.550   1.7144 -13.99607 4.541097 
1 1 1   11   14    6 o   35.866   1.1855  177.239   11.644   70.869   20.778  225.936   14.058   21.887   3.5914   40.476   1.2684 -18.58895 3.808785 
1 1 1   11   14    7 o   19.778   1.9590   55.088   10.471   44.880   15.593   63.471   14.130   17.350   3.4036   21.071   2.4975 -3.720856 4.221585 
1 1 1   11   14    8 o   17.120   1.9556   41.495   9.0037   43.621   15.749   40.463   10.974   17.003   3.4993   16.744   2.4673 0.2590752 4.281638 
1 1 1   11   14    9 f   9.7349   3.1279   13.694   9.4591   14.717   15.517   13.090   11.932   10.676   3.9718   9.8635   3.5101 0.8123913 5.300590 
1 1 1   11   14   10 o   30.315   1.3164  127.546   10.928   20.968   20.167  171.844   13.002   12.137   4.5254   35.175   1.3498 -23.03846 4.722444 
1 1 1   11   14   11 o   13.015   2.3728   25.079   8.1449   27.066   13.058   23.814   10.421   13.056   3.5561   12.408   3.0810 0.6474915 4.705166 
1 1 1   11   14   12 o   10.622   2.8873   17.501   8.6181   17.808   15.436   17.362   10.388   10.855   3.9750   10.536   3.2640 0.3189583 5.143363 
1 1 1   11   14   13 o   7.6493   3.0016   6.6415   9.1745   16.985   16.131   1.6952   11.154   10.579   4.0247   7.1991   3.1059 3.379650 5.083778 
1 1 1   11   14   14 o   9.1556   3.2877   12.678   10.490   27.049   19.086   6.4576   12.557   12.243   4.4296   8.2036   3.4038 4.039033 5.586323 
1 1 1   11   14   15 o   8.4967   3.3497   9.4991   11.476   6.9895   16.294   11.969   16.164   8.7995   3.7745   9.4881   3.8917 -0.6886082 5.421455 
1 1 1   11   15    0 o   90.103   1.7180  1120.48   42.355  1120.48   42.355  1120.48   42.355   90.103   1.7180   90.103   1.7180 0.000000 0.000000 
1 1 1   11   15    1 o   20.997   1.7739   61.675   10.104   55.947   14.223   67.509   14.355   19.712   2.7065   21.773   2.4503 -2.060953 3.650887 
1 1 1   11   15    2 o   32.342   1.0574  143.986   9.3642  136.184   14.568  149.479   12.224   31.274   1.7075   32.896   1.3570 -1.621740 2.181105 
1 1 1   11   15    3 o   37.689   1.0756  195.620   11.101  197.488   17.212  194.290   14.526   37.716   1.6666   37.481   1.4153 0.2343903 2.186421 
1 1 1   11   15    4 o   28.225   1.2283  109.957   9.4933  123.104   16.337  103.254   11.665   29.596   2.0280   27.239   1.5706 2.357727 2.565025 
1 1 1   11   15    5 o   22.463   1.5032   70.290   9.1932   26.900   16.768   88.937   10.992   13.292   4.1518   25.253   1.5979 -11.96073 4.448714 
1 1 1   11   15    6 o   18.639   1.7438   48.891   8.7970  -8.8820   15.304   77.401   10.751   7.2957   3.3516   23.508   1.6812 -16.21185 3.749648 
1 1 1   11   15    7 o   6.3263   2.7025   0.5289   8.2913   14.140   14.848  -5.6385   9.9947   10.432   3.8843   5.9751   2.7315 4.456458 4.748602 
1 1 1   11   15    8 o   22.702   1.5034   72.170   9.2930   25.846   16.644   93.154   11.202   12.811   4.1526   25.769   1.5953 -12.95848 4.448458 
1 1 1   11   15    9 o   7.2040   3.0500   2.1285   10.398   14.923   19.078  -3.2785   12.402   10.884   4.3101   6.9783   3.1302 3.906049 5.326820 
1 1 1   11   15   10 o   11.515   2.8382   20.494   8.8919   13.393   15.354   24.078   10.907   10.060   3.9010   12.345   3.2001 -2.284773 5.045613 
1 1 1   11   15   11 o   19.718   1.6303   55.396   8.7239   30.154   14.232   70.591   11.042   13.422   3.7352   22.162   1.8360 -8.740408 4.162045 
1 1 1   11   15   12 o   7.9339   2.9940   8.2633   8.8804 -17.7840   14.452   24.065   11.256   6.0095   2.9030   12.102   3.3039 -6.092549 4.398070 
1 1 1   11   15   13 o   15.464   2.5343   36.778   10.359 -14.6904   20.361   54.754   12.033   7.5177   3.5818   19.053   2.3566 -11.53561 4.287486 
1 1 1   11   15   14 o   7.3975   3.0391   5.3792   9.8770  -7.0132   16.810   11.913   12.206   7.3389   3.4204   9.0316   3.4849 -1.692655 4.882977 
1 1 1   11   16    0 o   5.9931   3.7671   3.3490   12.949   3.3490   12.949   3.3490   12.949   5.9931   3.7671   5.9931   3.7671 0.000000 0.000000 
1 1 1   11   16    1 o   14.671   2.4494   31.414   9.4933   33.046   12.949   29.516   13.959   14.736   3.2920   13.807   3.6403 0.9292269 4.908043 
1 1 1   11   16    2 o   24.163   1.3848   81.291   9.1246   66.580   16.235   88.084   11.032   21.282   2.8580   25.081   1.6148 -3.799856 3.282664 
1 1 1   11   16    3 o   36.607   1.0021  184.864   10.046  171.388   16.045  193.551   12.883   35.014   1.6734   37.377   1.2587 -2.362545 2.093959 
1 1 1   11   16    4 o   23.028   1.5222   74.239   9.5443   38.942   21.714   82.692   10.626   15.335   4.7139   24.278   1.6074 -8.943128 4.980432 
1 1 1   11   16    5 o   26.013   1.2982   93.999   9.2476   65.098   15.577  109.729   11.492   20.970   2.7813   27.999   1.5044 -7.028408 3.162045 
1 1 1   11   16    6 o   41.048   1.2498  234.137   14.048   34.148   19.572  446.637   20.175   14.272   4.4900   56.660   1.3003 -42.38784 4.674541 
1 1 1   11   16    7 o   12.110   2.6719   22.308   8.6231 -17.2037   15.733   39.275   10.310   6.5198   3.1180   16.318   2.3771 -9.797725 3.920746 
1 1 1   11   16    8 o   24.282   1.3822   82.784   9.1527   46.501   16.475   98.982   11.008   16.912   3.6634   26.489   1.5240 -9.576601 3.967782 
1 1 1   11   16    9 o   8.9850   2.9604   12.241   8.4453   0.6659   14.636   18.018   10.340   7.8908   3.4777   10.618   3.2511 -2.727608 4.760674 
1 1 1   11   16   10 o   6.8115   2.8251   3.4153   8.6457  -7.6102   14.267   9.8141   10.869   6.8218   3.1699   8.5908   3.2953 -1.769029 4.572413 
1 1 1   11   16   11 o   6.3483   2.7645   0.5471   9.0040   14.975   14.557  -8.3929   11.459   9.9182   3.8115   5.9278   2.7825 3.990423 4.719071 
1 1 1   11   16   12 o   10.943   2.9702   19.542   9.1283   31.314   14.458   11.739   11.771   13.292   3.7882   8.9750   3.4325 4.316882 5.111973 
1 1 1   11   17    0 o   4.2178   2.9732 -14.3977   13.624 -14.3977   13.624 -14.3977   13.624   4.2178   2.9732   4.2178   2.9732 0.000000 0.000000 
1 1 1   11   17    1 o   15.561   2.3129   35.622   9.5561   34.079   13.235   37.302   13.812   14.691   3.3625   15.381   3.3722 -0.6900291 4.762165 
1 1 1   11   17    2 o   7.7706   3.0196   6.7036   9.2146   20.462   13.025  -7.0819   13.038   11.374   3.6721   6.6785   3.0775 4.695162 4.791200 
1 1 1   11   17    3 o   8.7679   2.8864   11.331   8.0291  -4.9662   12.858   21.748   10.280   6.8506   3.1186   11.762   3.1348 -4.910946 4.421879 
1 1 1   11   17    4 o   14.122   2.3002   29.580   8.5888   36.788   15.175   26.183   10.418   14.970   3.7186   12.947   2.9975 2.022552 4.776286 
1 1 1   11   17    5 o   17.356   2.0090   43.793   9.3719   29.128   17.835   49.387   11.015   12.997   4.3030   18.318   2.2429 -5.320352 4.852449 
1 1 1   11   17    6 o   15.537   2.1206   35.555   8.7868   19.549   15.642   42.934   10.621   11.037   4.0075   16.969   2.3487 -5.931909 4.645039 
1 1 1   11   17    7 o   4.9111   2.3357  -9.1522   8.5791   0.2122   14.413 -14.2904   10.676   7.7366   3.4283   5.1642   2.4948 2.572422 4.239920 
1 1 1   11   17    8 f   16.925   2.0045   42.080   9.1094   2.3650   15.492   63.067   11.262   8.1762   3.5915   20.756   2.0065 -12.57968 4.113962 
1 1 1   11   17    9 o   8.2580   3.0671   9.6378   9.2456  -4.3576   17.909   14.723   10.795   7.8640   3.6175   9.6164   3.3456 -1.752483 4.927419 
1 1 1   11   17   10 o   11.740   2.9430   22.425   9.4431 -20.3547   18.175   38.245   11.052   6.6494   3.2225   15.629   2.6787 -8.979944 4.190482 
1 1 1   11   18    0 o   21.773   2.5701   70.415   14.762   70.415   14.762   70.415   14.762   21.773   2.5701   21.773   2.5701 0.000000 0.000000 
1 1 1   11   18    1 o   10.636   3.1218   18.187   9.6872   22.367   14.840   15.083   12.788   11.510   3.9261   9.9184   3.6200 1.591792 5.340350 
1 1 1   11   18    2 o   14.384   2.2722   31.011   8.6527   26.589   13.622   34.003   11.203   12.504   3.7105   14.713   2.8838 -2.209094 4.699368 
1 1 1   11   18    3 o   21.313   1.5232   64.631   8.8310   46.086   13.939   77.066   11.414   16.998   3.1093   23.102   1.8190 -6.104086 3.602233 
1 1 1   11   18    4 o   19.252   1.8677   53.867   9.7221   36.961   19.182   59.711   11.278   14.078   4.4471   20.145   2.0741 -6.066683 4.906933 
1 1 1   11   18    5 o   7.7911   2.9928   7.7859   8.9733   13.150   17.202   5.7805   10.518   9.8572   4.0256   7.6665   3.1413 2.190663 5.106156 
1 1 1   11   18    6 o   9.8895   3.0517   15.824   9.0903   13.662   17.108   16.674   10.730   9.8755   4.0217   10.088   3.3376 -0.2126684 5.226222 
1 1 1   11   18    7 o   16.739   2.0394   41.559   9.1548   20.260   16.906   50.395   10.889   10.873   4.1242   18.331   2.2142 -7.458156 4.681045 
1 1 1   11   19    0 o   18.844   2.7281   54.344   13.219   54.344   13.219   54.344   13.219   18.844   2.7281   18.844   2.7281 0.000000 0.000000 
1 1 1   11   19    1 o   19.237   1.8677   54.139   9.7148   50.677   14.859   56.724   12.839   17.588   3.2032   19.233   2.4967 -1.645374 4.061268 
1 1 1   11   19    2 o   11.448   2.9868   21.467   9.4620   27.028   14.628   17.465   12.407   12.262   3.8845   10.222   3.5849 2.039699 5.285961 
1 1 1   11   19    3 o   17.754   2.2300   47.465   10.603   8.1301   19.298   64.473   12.689   9.2942   4.0472   20.682   2.2783 -11.38822 4.644462 
1 1 1   12    0    0 o   57.405   2.0650  453.587   32.366  453.587   32.366  453.587   32.366   57.405   2.0650   57.405   2.0650 0.000000 0.000000 
1 1 1   12    0    1 o   94.664   1.7424  1230.71   45.133  1230.71   45.133  1230.71   45.133   94.664   1.7424   94.664   1.7424 0.000000 0.000000 
1 1 1   12    0    2 o   63.870   1.4746  560.256   25.759  560.256   25.759  560.256   25.759   63.870   1.4746   63.870   1.4746 0.000000 0.000000 
1 1 1   12    0    3 o   60.265   1.1976  498.359   19.746  498.359   19.746  498.359   19.746   60.265   1.1976   60.265   1.1976 0.000000 0.000000 
1 1 1   12    0    4 o   30.295   1.3672  126.601   11.290  126.601   11.290  126.601   11.290   30.295   1.3672   30.295   1.3672 0.000000 0.000000 
1 1 1   12    0    5 o   16.064   2.3786   37.717   9.7891   37.717   9.7891   37.717   9.7891   16.064   2.3786   16.064   2.3786 0.000000 0.000000 
1 1 1   12    0    6 o   62.704   1.9727  541.619   33.797  541.619   33.797  541.619   33.797   62.704   1.9727   62.704   1.9727 0.000000 0.000000 
1 1 1   12    0    7 o   19.108   3.0254   53.942   14.643   53.942   14.643   53.942   14.643   19.108   3.0254   19.108   3.0254 0.000000 0.000000 
1 1 1   12    0    8 o   26.224   2.1644   96.464   15.299   96.464   15.299   96.464   15.299   26.224   2.1644   26.224   2.1644 0.000000 0.000000 
1 1 1   12    0    9 o   11.716   5.4070   28.053   19.094   28.053   19.094   28.053   19.094   11.716   5.4070   11.716   5.4070 0.000000 0.000000 
1 1 1   12    0   10 o   10.207   4.8432   21.383   15.398   21.383   15.398   21.383   15.398   10.207   4.8432   10.207   4.8432 0.000000 0.000000 
1 1 1   12    0   11 o   7.7682   4.5154   10.439   15.790   10.439   15.790   10.439   15.790   7.7682   4.5154   7.7682   4.5154 0.000000 0.000000 
1 1 1   12    0   12 o   26.967   2.4824  102.820   17.974  102.820   17.974  102.820   17.974   26.967   2.4824   26.967   2.4824 0.000000 0.000000 
1 1 1   12    0   13 o   8.0758   4.6588   11.741   16.613   11.741   16.613   11.741   16.613   8.0758   4.6588   8.0758   4.6588 0.000000 0.000000 
1 1 1   12    0   14 o   13.222   4.8397   32.729   16.168   32.729   16.168   32.729   16.168   13.222   4.8397   13.222   4.8397 0.000000 0.000000 
1 1 1   12    0   15 o   54.138   1.5983  404.484   23.648  404.484   23.648  404.484   23.648   54.138   1.5983   54.138   1.5983 0.000000 0.000000 
1 1 1   12    0   16 o   21.903   4.4614   76.069   23.673   76.069   23.673   76.069   23.673   21.903   4.4614   21.903   4.4614 0.000000 0.000000 
1 1 1   12    0   17 o   18.342   3.5697   52.675   15.981   52.675   15.981   52.675   15.981   18.342   3.5697   18.342   3.5697 0.000000 0.000000 
1 1 1   12    0   18 o   5.9655   3.9049  -0.0645   15.816  -0.0645   15.816  -0.0645   15.816   5.9655   3.9049   5.9655   3.9049 0.000000 0.000000 
1 1 1   12    0   19 o   11.133   5.2641   28.877   18.174   28.877   18.174   28.877   18.174   11.133   5.2641   11.133   5.2641 0.000000 0.000000 
1 1 1   12    0   20 o   11.409   4.7900   28.532   15.043   28.532   15.043   28.532   15.043   11.409   4.7900   11.409   4.7900 0.000000 0.000000 
1 1 1   12    0   21 o   5.5119   3.6539  -0.3429   14.546  -0.3429   14.546  -0.3429   14.546   5.5119   3.6539   5.5119   3.6539 0.000000 0.000000 
1 1 1   12    1    0 o  115.601   1.7050  1834.50   53.946  1834.50   53.946  1834.50   53.946  115.601   1.7050  115.601   1.7050 0.000000 0.000000 
1 1 1   12    1    1 o   56.047   1.1048  430.804   16.956  417.565   20.645  458.240   29.720   55.155   1.3669   57.713   1.8806 -2.558723 2.324882 
1 1 1   12    1    2 o  110.110   1.3462  1664.17   40.592  1623.67   50.079  1741.74   69.310  108.685   1.6826  112.395   2.2520 -3.709122 2.811149 
1 1 1   12    1    3 o   13.443   2.1977   25.547   7.8103   24.461   11.865   26.377   10.375   13.017   3.3185   13.549   2.8849 -0.5310640 4.397204 
1 1 1   12    1    4 o   25.680   1.0650   90.441   7.4890   97.730   10.619   83.227   10.564   26.635   1.4615   24.559   1.5791 2.075642 2.151622 
1 1 1   12    1    5 o   22.156   1.1872   67.550   7.1768   69.257   10.088   65.802   10.212   22.382   1.6577   21.805   1.7244 0.5772820 2.391967 
1 1 1   12    1    6 o   12.196   2.1679   21.124   6.9747   23.705   9.7837   18.457   9.9456   12.826   2.8586   11.342   3.1094 1.484209 4.223763 
1 1 1   12    1    7 o   65.625   0.8861  590.460   15.924  619.828   25.584  571.886   20.346   67.172   1.3909   64.555   1.1510 2.616341 1.805338 
1 1 1   12    1    8 o   8.4166   3.2160   6.8941   10.327   9.8871   14.595   3.8934   14.614   9.9937   3.8221   8.9740   3.6929 1.019727 5.314700 
1 1 1   12    1    9 o   14.861   3.4301   32.137   13.676   15.650   19.128   49.376   19.559   11.819   4.4073   18.365   4.0023 -6.546302 5.953346 
1 1 1   12    1   10 o   33.906   1.5379  158.212   14.279  145.587   25.283  164.124   17.302   32.192   2.8992   34.447   1.8409 -2.255283 3.434238 
1 1 1   12    1   11 o   27.008   1.6579  100.879   12.202  117.660   17.346   84.440   17.168   29.072   2.1951   24.511   2.5974 4.560616 3.400707 
1 1 1   12    1   12 o   7.2246   3.1421  -1.5859   11.601   5.7159   16.379  -8.9380   16.435   9.6381   3.9312   7.7913   3.5387 1.846745 5.289303 
1 1 1   12    1   13 o   62.240   1.1178  532.298   19.051  523.177   27.708  540.476   26.238   61.577   1.6432   62.619   1.5301 -1.041771 2.245331 
1 1 1   12    1   14 o   30.698   1.4650  129.971   12.315  115.477   17.429  144.422   17.404   28.716   2.2341   32.205   1.9831 -3.488171 2.987276 
1 1 1   12    1   15 o   11.514   3.3407   19.456   11.151   36.068   15.752   2.7690   15.787   15.485   3.7537   8.9484   3.7717 6.536760 5.321274 
1 1 1   12    1   16 f   20.796   3.0197   63.254   16.693   68.474   22.864   57.295   24.429   21.128   4.0999   18.984   4.7196 2.143686 6.251686 
1 1 1   12    1   17 o   13.021   3.2992   26.000   11.778   20.554   15.903   32.617   17.528   11.779   4.0627   14.301   4.1996 -2.522728 5.843152 
1 1 1   12    1   18 o   7.7996   3.2281   4.3784   11.253  -0.7095   16.729   8.5835   15.209   8.3488   3.6968   9.3076   3.7914 -0.9588881 5.295341 
1 1 1   12    1   19 o   7.0740   3.1884  -2.8011   13.042  -4.1865   17.339  -0.9960   19.792   7.9227   3.6124   8.7126   3.9273 -0.7898641 5.336014 
1 1 1   12    1   20 o   6.7774   2.9680   0.6625   10.510   1.0618   14.836   0.2603   14.889   7.8275   3.4729   7.7417   3.4542 0.8579779E-01 4.898253 
1 1 1   12    1   21 o   6.3046   2.8738  -3.1392   10.963  -6.1497   14.862   0.4538   16.236   6.9465   3.2303   7.9013   3.5597 -0.9548059 4.806898 
1 1 1   12    2    0 o   42.406   1.4392  247.411   16.668  247.411   16.668  247.411   16.668   42.406   1.4392   42.406   1.4392 0.000000 0.000000 
1 1 1   12    2    1 o   29.311   1.1786  117.856   9.4595  123.567   13.259  111.936   13.500   29.943   1.6231   28.480   1.7394 1.462809 2.379033 
1 1 1   12    2    2 o   15.759   2.0442   34.768   8.6137   36.933   12.326   32.701   12.042   16.089   2.9046   15.098   3.0183 0.9918079 4.188860 
1 1 1   12    2    3 o   61.606   1.1903  520.723   20.081  639.267   55.497  502.864   21.541   67.891   2.9852   60.529   1.2996 7.361847 3.255806 
1 1 1   12    2    4 o   18.290   1.4341   46.225   7.1253   40.628   10.003   51.989   10.152   17.026   2.1967   19.335   1.9437 -2.309227 2.933169 
1 1 1   12    2    5 o   35.544   0.8547  173.175   8.3187  177.100   11.907  169.433   11.627   35.924   1.2104   35.137   1.2084 0.7861519 1.710345 
1 1 1   12    2    6 o   45.311   0.8148  281.414   10.109  300.313   14.460  263.345   14.139   46.784   1.1287   43.806   1.1787 2.978199 1.631951 
1 1 1   12    2    7 o   5.3685   2.4566  -5.5433   8.1117 -11.6530   13.686  -2.2343   10.072   6.7050   3.1119   6.6309   2.9046 0.7411289E-01 4.256855 
1 1 1   12    2    8 o   52.864   1.1941  383.650   17.285  388.454   21.372  374.563   29.393   53.157   1.4682   52.097   2.0604 1.060658 2.529962 
1 1 1   12    2    9 o   66.261   1.1149  602.648   20.229  612.712   26.484  588.554   31.342   66.754   1.4488   65.361   1.7512 1.392998 2.272795 
1 1 1   12    2   10 o   72.843   1.3229  729.305   26.388  809.820   52.831  702.542   30.459   76.371   2.5262   71.441   1.5570 4.929955 2.967484 
1 1 1   12    2   11 o   59.182   1.0484  480.814   16.990  482.950   24.234  478.749   23.826   59.234   1.4941   58.980   1.4752 0.2542915 2.099666 
1 1 1   12    2   12 o   16.651   2.6789   39.588   11.801   64.116   16.803   15.714   16.577   21.205   2.9757   11.367   4.1258 9.837513 5.086985 
1 1 1   12    2   13 o   17.001   2.6156   41.246   11.786   48.204   17.009   34.820   16.348   18.144   3.5505   15.320   3.8897 2.824034 5.266456 
1 1 1   12    2   14 o   11.328   3.4762   18.438   11.814   4.9550   17.727   29.210   15.846   9.7549   4.0456   14.018   3.9557 -4.262691 5.658168 
1 1 1   12    2   15 o   38.286   1.2898  202.159   13.522  178.195   18.043  232.868   20.425   35.763   1.8487   40.943   1.8218 -5.180447 2.595509 
1 1 1   12    2   16 o   17.776   3.0069   46.545   14.115   54.248   17.847   33.681   23.063   18.976   3.5655   14.746   4.8938 4.229624 6.054946 
1 1 1   12    2   17 o   7.7048   3.2089   3.3247   11.220   3.9520   16.617   2.7991   15.211   9.0631   3.8475   8.5997   3.6667 0.4634485 5.314872 
1 1 1   12    2   18 f   9.9137   3.3893   14.640   11.060   6.3278   15.833   22.560   15.455   9.0524   3.7943   11.884   4.0069 -2.831192 5.518330 
1 1 1   12    2   19 o   7.7816   3.2566   4.6387   11.635   5.5434   15.403   3.4365   17.756   8.6597   3.6910   8.8037   3.8566 -0.1439877 5.338202 
1 1 1   12    2   20 o   22.749   1.8632   75.377   11.505   68.537   15.453   83.883   17.234   20.969   2.7582   23.210   2.7660 -2.241760 3.906181 
1 1 1   12    2   21 o   10.123   3.3764   17.359   10.974   12.542   14.879   23.104   16.249   9.3185   3.7666   11.225   4.0832 -1.906790 5.555186 
1 1 1   12    3    0 o  137.334   2.1259  2592.64   79.907  2592.64   79.907  2592.64   79.907  137.334   2.1259  137.334   2.1259 0.000000 0.000000 
1 1 1   12    3    1 o   67.284   0.9488  620.661   17.482  615.104   24.271  626.652   25.202   66.941   1.3240   67.562   1.3622 -0.6204224 1.899682 
1 1 1   12    3    2 o   43.635   0.9734  261.057   11.631  276.003   16.738  247.103   16.173   44.837   1.3633   42.422   1.3923 2.414734 1.948582 
1 1 1   12    3    3 o   16.862   1.8277   39.577   8.3042   49.962   11.847   29.547   11.643   18.884   2.3413   14.324   3.0613 4.559813 3.853967 
1 1 1   12    3    4 o   8.2009   2.7809   8.6491   7.4445   11.123   9.6185   4.9534   11.757   9.2924   3.1609   8.4135   3.3666 0.8788662 4.617940 
1 1 1   12    3    5 o   33.458   0.9020  153.477   8.2640  163.607   11.930  144.133   11.458   34.523   1.2620   32.401   1.2914 2.121651 1.805640 
1 1 1   12    3    6 o   11.686   2.6003   19.644   8.1065   30.630   13.945   14.036   9.9629   14.520   3.5393   10.112   3.2061 4.407748 4.775512 
1 1 1   12    3    7 o   56.273   0.9659  434.301   14.884  447.764   22.234  423.370   20.035   57.082   1.4224   55.520   1.3178 1.562286 1.939025 
1 1 1   12    3    8 o   84.433   1.4024  979.796   32.424  987.545   43.271  969.874   48.965   84.643   1.8669   83.796   2.1339 0.8465805 2.835268 
1 1 1   12    3    9 o   58.473   1.0970  469.312   17.565  467.889   23.323  471.176   26.700   58.327   1.4602   58.492   1.6669 -0.1650658 2.216064 
1 1 1   12    3   10 o   90.218   1.1916  1117.98   29.438  1082.69   45.937  1142.58   38.347   88.567   1.8941   91.109   1.5370 -2.541473 2.439249 
1 1 1   12    3   11 o   17.841   2.4587   45.010   11.692   36.631   16.444   53.578   16.629   15.773   3.8426   19.288   3.2649 -3.514894 5.042295 
1 1 1   12    3   12 o   15.295   2.9386   33.808   11.860   24.325   16.820   43.187   16.727   13.089   4.1674   17.147   3.6730 -4.058621 5.555013 
1 1 1   12    3   13 o   36.651   1.3205  184.908   13.253  183.554   18.954  186.203   18.537   36.363   1.9102   36.639   1.8536 -0.2766190 2.661740 
1 1 1   12    3   14 o   34.876   1.3931  167.729   13.305  167.781   18.347  167.671   19.322   34.714   1.9378   34.671   2.0443 0.4384613E-01 2.816723 
1 1 1   12    3   15 o   8.3929   3.4336   4.5324   12.542  -4.4788   20.278   10.115   15.961   9.1045   4.0489   10.090   3.9591 -0.9852705 5.662855 
1 1 1   12    3   16 o   22.179   2.2291   70.007   13.355   74.898   17.855   63.797   20.121   22.640   2.9502   20.496   3.7220 2.143557 4.749402 
1 1 1   12    3   17 o   47.798   1.2545  316.860   16.420  316.984   24.773  316.763   21.929   47.412   1.9081   47.548   1.6842 -0.1363297 2.545096 
1 1 1   12    3   18 f   9.5226   3.4521   12.880   11.600   27.333   17.220   0.8733   15.695   12.802   4.2277   8.2590   3.6217 4.543304 5.566885 
1 1 1   12    3   19 o   9.7414   3.4426   14.702   11.458   4.3038   15.374   27.697   17.186   8.4478   3.6454   12.519   4.2253 -4.071063 5.580561 
1 1 1   12    3   20 o   7.4028   3.1699   3.3808   11.457   16.077   14.721 -16.1214   18.246   10.041   3.8390   6.9461   3.3313 3.094816 5.082820 
1 1 1   12    4    0 o   14.521   3.4936   33.620   12.046   33.620   12.046   33.620   12.046   14.521   3.4936   14.521   3.4936 0.000000 0.000000 
1 1 1   12    4    1 o   31.544   1.1402  136.503   9.8490  125.741   13.758  147.815   14.105   30.195   1.6705   32.796   1.5706 -2.600691 2.292886 
1 1 1   12    4    2 o   48.747   0.8645  325.725   11.540  318.332   17.733  331.157   15.200   48.151   1.3449   49.131   1.1298 -0.9805984 1.756432 
1 1 1   12    4    3 o   11.268   2.4746   18.229   7.4269   27.262   11.481   11.728   9.7394   13.739   3.1224   9.4705   3.1809 4.268347 4.457295 
1 1 1   12    4    4 o   77.372   1.0839  821.238   22.966  859.003   39.524  801.989   28.218   78.992   1.8272   76.420   1.3484 2.571556 2.270891 
1 1 1   12    4    5 o   30.316   1.0548  126.071   8.7564  128.755   11.496  122.364   13.514   30.617   1.3712   29.779   1.6638 0.8377018 2.156067 
1 1 1   12    4    6 o   44.601   1.0035  272.856   12.257  281.244   18.207  265.905   16.575   45.235   1.4699   43.995   1.3758 1.240349 2.013279 
1 1 1   12    4    7 o   47.524   1.0082  309.823   13.121  307.309   19.299  311.985   17.892   47.277   1.4907   47.650   1.3712 -0.3736763 2.025474 
1 1 1   12    4    8 o   51.987   0.9556  370.731   13.604  351.464   21.078  384.485   17.810   50.547   1.5228   52.911   1.2292 -2.364342 1.957018 
1 1 1   12    4    9 o   76.686   1.1094  807.354   23.298  818.054   31.407  794.262   34.740   77.110   1.4874   75.933   1.6708 1.177505 2.236906 
1 1 1   12    4   10 o   52.117   1.2536  373.250   17.891  370.625   26.202  375.543   24.488   51.822   1.8464   52.194   1.7134 -0.3713112 2.518896 
1 1 1   12    4   11 o   55.783   1.0692  427.279   16.333  420.746   23.159  433.742   23.037   55.272   1.5301   56.126   1.4989 -0.8537827 2.141956 
1 1 1   12    4   12 o   34.896   1.3430  167.579   12.833  168.034   18.427  167.150   17.883   34.796   1.9417   34.716   1.8882 0.7925415E-01 2.708380 
1 1 1   12    4   13 o   18.781   2.5791   50.199   12.914   68.774   21.384   39.537   16.201   21.653   3.7418   16.328   3.7081 5.325235 5.267950 
1 1 1   12    4   14 o   19.328   2.3510   52.978   12.187   63.649   18.849   45.313   15.975   20.850   3.4200   17.513   3.4537 3.336664 4.860466 
1 1 1   12    4   15 o   18.765   2.7623   51.007   13.769   75.289   22.002   35.374   17.654   22.443   3.7097   15.163   4.1368 7.279544 5.556462 
1 1 1   12    4   16 o   9.4504   3.6523   9.9202   13.423   2.4855   19.030   17.283   18.937   9.4562   4.0682   11.551   4.3689 -2.094618 5.969732 
1 1 1   12    4   17 o   8.4801   3.3038   7.9030   11.053   17.710   15.946  -1.1643   15.333   11.090   4.0433   8.0424   3.5513 3.047527 5.381392 
1 1 1   12    4   18 o   12.973   3.1482   26.662   11.070   38.009   15.958   16.135   15.371   15.099   3.8483   10.489   3.9430 4.609199 5.509637 
1 1 1   12    4   19 o   21.210   2.0396   65.963   11.700   56.186   15.617   78.472   17.664   18.742   3.1550   22.386   2.9537 -3.644680 4.321840 
1 1 1   12    4   20 o   7.4860   3.0993   5.3316   10.378   0.1133   14.691   10.529   14.662   7.6206   3.4134   9.0493   3.7085 -1.428719 5.040260 
1 1 1   12    5    0 o   78.260   1.3748  840.619   29.442  840.619   29.442  840.619   29.442   78.260   1.3748   78.260   1.3748 0.000000 0.000000 
1 1 1   12    5    1 o   87.988   1.0466  1061.89   25.216  1068.07   36.210  1056.06   35.137   88.162   1.4999   87.672   1.4636 0.4896393 2.095624 
1 1 1   12    5    2 o   21.985   1.3414   66.620   8.0372   86.164   12.657   53.416   10.404   24.946   1.8664   19.593   1.9656 5.352921 2.710540 
1 1 1   12    5    3 o   25.259   1.1827   87.564   8.1803   86.819   12.566   88.112   10.776   25.043   1.8455   25.268   1.5651 -0.2253532 2.419810 
1 1 1   12    5    4 o   36.510   1.2596  183.007   12.593  252.734   24.307  157.423   14.724   42.805   2.0737   33.835   1.5892 8.970654 2.612602 
1 1 1   12    5    5 o   61.452   1.1081  518.200   18.647  505.670   24.359  535.940   28.983   60.654   1.4666   62.403   1.6961 -1.748257 2.242222 
1 1 1   12    5    6 o   56.475   0.9817  437.488   15.183  431.942   22.326  442.259   20.708   56.055   1.4545   56.739   1.3328 -0.6836014 1.972776 
1 1 1   12    5    7 o   42.296   1.0554  245.483   12.224  235.828   18.323  253.226   16.409   41.394   1.6165   42.922   1.3961 -1.528118 2.135929 
1 1 1   12    5    8 o   63.701   0.9152  556.594   15.964  550.158   25.378  560.808   20.535   63.243   1.4654   63.905   1.1735 -0.6619034 1.877351 
1 1 1   12    5    9 o   57.113   1.0549  447.751   16.499  446.040   23.385  449.446   23.282   56.931   1.5000   57.150   1.4877 -0.2193222 2.112634 
1 1 1   12    5   10 o   13.871   3.5098   28.161   13.342   42.002   20.473   17.942   17.591   16.815   4.3965   11.943   4.2607 4.872177 6.122334 
1 1 1   12    5   11 o   61.132   1.4248  514.473   23.851  522.278   30.714  502.615   37.855   61.487   1.8242   60.163   2.2978 1.324902 2.933823 
1 1 1   12    5   12 f   12.311   3.3399   22.165   11.545   24.321   16.255   19.969   16.400   13.014   4.0915   12.127   4.1274 0.8871794 5.811672 
1 1 1   12    5   13 o   13.872   3.0310   28.198   11.191   22.357   15.961   33.847   15.696   12.523   4.0671   15.054   3.8056 -2.530968 5.569901 
1 1 1   12    5   14 o   22.053   1.8986   68.122   11.354   61.547   16.195   74.476   15.921   20.625   2.9517   22.853   2.5899 -2.228748 3.926800 
1 1 1   12    5   15 f   14.193   3.5059   30.572   13.546   16.602   22.431   38.592   16.995   12.000   4.6978   15.818   3.9386 -3.818895 6.130432 
1 1 1   12    5   16 o   31.781   1.6862  141.617   14.623  180.594   21.665  109.003   19.817   35.594   2.2341   27.378   2.6776 8.215988 3.487197 
1 1 1   12    5   17 o   18.345   2.2713   49.075   11.166   40.559   15.840   57.486   15.743   15.886   3.7086   19.427   3.0606 -3.540405 4.808447 
1 1 1   12    5   18 o   8.8206   3.3543   10.354   11.201   5.6310   16.827   14.112   15.009   8.9631   3.8400   10.006   3.8633 -1.042425 5.447054 
1 1 1   12    5   19 o   7.1204   3.2103  -1.9831   13.233   10.432   18.920 -13.8721   18.515   9.6579   4.1029   7.2127   3.4306 2.445140 5.348175 
1 1 1   12    5   20 o   9.8360   3.3213   16.071   10.619   22.828   15.171   9.5805   14.869   11.250   3.9628   8.8848   3.6966 2.365670 5.419315 
1 1 1   12    6    0 o  102.484   1.5665  1442.09   43.938  1442.09   43.938  1442.09   43.938  102.484   1.5665  102.484   1.5665 0.000000 0.000000 
1 1 1   12    6    1 o   33.356   1.1515  152.688   10.518  164.432   15.294  142.148   14.488   34.577   1.6153   32.103   1.6537 2.473621 2.311657 
1 1 1   12    6    2 o   45.430   0.9065  282.991   11.277  254.199   17.098  305.161   15.004   43.009   1.4518   47.154   1.1619 -4.145683 1.859515 
1 1 1   12    6    3 o   61.855   1.0467  524.886   17.729  597.095   32.302  493.756   21.209   65.848   1.7914   59.962   1.2917 5.885784 2.208561 
1 1 1   12    6    4 o   12.332   3.0768   22.007   10.356   14.458   21.495   24.289   11.818   12.035   4.6299   12.944   3.3185 -0.9095144 5.696392 
1 1 1   12    6    5 o   64.583   1.2856  572.899   22.737  581.724   34.559  566.164   30.191   64.947   1.9432   64.122   1.7194 0.8242798 2.594654 
1 1 1   12    6    6 o   51.242   1.1632  360.504   16.321  349.097   21.475  376.105   25.114   50.371   1.5569   52.248   1.7553 -1.877499 2.346301 
1 1 1   12    6    7 o   29.955   1.2934  123.304   10.609  169.293   24.063  112.206   11.820   34.833   2.5402   28.516   1.5192 6.316378 2.959859 
1 1 1   12    6    8 o   55.391   0.9252  420.898   14.033  407.001   22.378  429.905   18.016   54.383   1.5027   55.947   1.1759 -1.564487 1.908123 
1 1 1   12    6    9 o   16.693   2.0490   39.100   9.1698   44.282   15.830   36.483   11.249   17.455   3.4341   15.984   2.6638 1.470988 4.346182 
1 1 1   12    6   10 o   27.880   1.6474  107.546   12.521   97.299   17.209  119.073   18.252   26.353   2.4115   29.201   2.3012 -2.848707 3.333323 
1 1 1   12    6   11 o   9.4181   3.5819   9.2365   12.773   9.9294   19.698   8.7338   16.779   10.925   4.3626   10.169   4.0372 0.7558870 5.944027 
1 1 1   12    6   12 o   18.089   2.4159   46.429   11.668   39.228   16.089   54.417   16.946   16.259   3.6972   19.340   3.3194 -3.080521 4.968631 
1 1 1   12    6   13 o   15.806   2.6664   36.055   11.130   54.609   15.789   17.729   15.692   19.398   3.0751   11.509   4.0320 7.889392 5.070787 
1 1 1   12    6   14 o   29.081   1.6687  117.792   13.233  124.606   23.620  114.675   15.975   29.387   2.9762   28.568   2.0559 0.8195152 3.617263 
1 1 1   12    6   15 f   9.1439   3.5425   9.0194   12.652 -17.6870   19.417   28.726   16.680   7.6037   3.5856   13.602   4.1217 -5.998215 5.463048 
1 1 1   12    6   16 o   8.0715   3.3981   3.3586   12.790  -0.5333   17.723   7.5889   18.477   8.6844   3.8272   9.8462   4.1108 -1.161819 5.616565 
1 1 1   12    6   17 o   6.4048   2.9643  -7.3904   12.292  -9.8472   16.740  -4.5160   18.107   7.3524   3.4221   8.1657   3.7110 -0.8133254 5.048003 
1 1 1   12    6   18 o   9.0356   3.3582   11.734   11.088   17.272   15.027   5.1132   16.429   10.481   3.9066   8.7357   3.7691 1.745270 5.428418 
1 1 1   12    6   19 o   9.0596   3.3071   12.569   10.673   6.6439   15.174   18.370   15.014   8.5791   3.6602   10.487   3.9057 -1.907589 5.352739 
1 1 1   12    7    0 o   34.668   2.3267  167.583   21.859  167.583   21.859  167.583   21.859   34.668   2.3267   34.668   2.3267 0.000000 0.000000 
1 1 1   12    7    1 f   28.546   1.8615  112.767   14.471  102.933   20.836  121.931   20.114   27.069   2.8540   29.565   2.5081 -2.496016 3.799423 
1 1 1   12    7    2 o   26.577   1.5593   97.488   11.298  130.880   22.103   85.678   13.145   30.600   2.6644   24.851   1.9473 5.749147 3.300142 
1 1 1   12    7    3 o   37.789   1.2591  196.118   13.029  225.133   25.060  185.367   15.253   40.284   2.2811   36.713   1.5173 3.571224 2.739592 
1 1 1   12    7    4 o   23.572   1.4976   76.725   9.6166   81.832   14.247   72.450   13.034   24.239   2.1693   22.807   2.1110 1.432331 3.026913 
1 1 1   12    7    5 o   29.974   1.2744  123.429   10.460  112.038   14.886  134.540   14.702   28.432   1.9233   31.202   1.7274 -2.770517 2.585161 
1 1 1   12    7    6 o   50.715   1.0377  352.987   14.410  364.415   21.653  343.901   19.307   51.457   1.5367   50.008   1.4099 1.448856 2.085470 
1 1 1   12    7    7 o   36.508   1.0613  182.962   10.610  188.717   17.735  179.755   13.240   36.996   1.7506   36.160   1.3372 0.8365517 2.202873 
1 1 1   12    7    8 f   9.6899   3.0573   13.009   9.0685   10.804   15.565   14.142   11.158   10.312   3.9463   10.253   3.4040 0.5937290E-01 5.211537 
1 1 1   12    7    9 o   47.689   0.9658  312.140   12.612  280.532   19.715  334.038   16.410   45.115   1.5958   49.298   1.2156 -4.183136 2.006056 
1 1 1   12    7   10 o   48.396   0.9895  321.582   13.113  309.802   21.293  328.780   16.644   47.386   1.6409   48.895   1.2431 -1.509285 2.058644 
1 1 1   12    7   11 o   6.4292   2.9471  -7.7728   11.743  -9.1146   18.241  -6.8231   15.346   8.2306   3.7344   7.6717   3.4581 0.5588837 5.089591 
1 1 1   12    7   12 o   7.0443   3.0747  -1.6174   11.196   13.953   15.536 -18.4433   16.150   10.771   3.9807   6.7849   3.2204 3.986161 5.120226 
1 1 1   12    7   13 o   26.247   1.7069   96.000   12.201   96.818   17.280   95.187   17.230   26.123   2.4441   25.894   2.4594 0.2283897 3.467315 
1 1 1   12    7   14 o   17.835   2.7354   46.359   12.933   58.383   20.155   37.943   16.862   19.516   3.9076   15.659   3.9366 3.857157 5.546699 
1 1 1   12    7   15 o   12.876   3.1126   25.274   10.853   6.2059   15.707   42.696   15.014   9.2005   3.8113   16.686   3.4012 -7.485363 5.108282 
1 1 1   12    7   16 f   11.760   3.6009   21.912   12.685   25.104   17.537   18.411   18.370   12.470   4.2680   11.313   4.2971 1.157023 6.056503 
1 1 1   12    7   17 o   29.050   1.6265  119.853   12.886   96.807   17.971  144.244   18.488   25.379   2.6237   31.457   2.1594 -6.077459 3.398078 
1 1 1   12    7   18 o   18.356   2.3181   50.618   11.392   39.717   15.485   63.476   16.818   15.175   3.7484   19.846   3.2039 -4.670177 4.931089 
1 1 1   12    7   19 o   5.6696   2.6818  -9.1125   11.016 -17.9873   16.514  -1.9970   14.787   6.4003   3.0945   7.3818   3.3543 -0.9815063 4.563651 
1 1 1   12    8    0 o   7.5976   4.7023   6.1566   19.388   6.1566   19.388   6.1566   19.388   7.5976   4.7023   7.5976   4.7023 0.000000 0.000000 
1 1 1   12    8    1 o   39.528   1.2876  214.663   13.937  213.208   17.255  217.395   23.639   39.357   1.6010   39.592   2.1889 -0.2352943 2.711909 
1 1 1   12    8    2 o   52.097   0.9122  372.263   13.014  397.799   20.893  356.074   16.635   53.788   1.4185   50.920   1.1930 2.867680 1.853456 
1 1 1   12    8    3 o   28.055   1.2080  108.105   9.2808  106.691   14.551  109.075   12.050   27.739   1.9276   28.107   1.5719 -0.3682232 2.487288 
1 1 1   12    8    4 o   51.863   0.9100  368.947   12.924  381.325   20.558  360.859   16.618   52.656   1.4257   51.259   1.1839 1.396950 1.853213 
1 1 1   12    8    5 o   39.345   0.9946  212.432   10.716  222.476   17.357  206.245   13.622   40.197   1.5768   38.739   1.2841 1.457417 2.033573 
1 1 1   12    8    6 o   31.675   1.4898  138.095   12.923  170.508   25.475  126.866   14.995   34.894   2.6868   30.268   1.8175 4.625338 3.243846 
1 1 1   12    8    7 o   28.766   1.2550  113.736   9.8857  138.880   16.979  100.842   12.159   31.638   1.9696   26.998   1.6526 4.639706 2.571064 
1 1 1   12    8    8 o   41.738   1.0069  239.157   11.508  216.345   18.953  252.480   14.484   39.590   1.7482   42.855   1.2342 -3.265480 2.140004 
1 1 1   12    8    9 o   14.537   2.4045   30.156   9.2374   43.323   16.029   23.609   11.303   17.194   3.5229   12.701   3.2396 4.493190 4.785993 
1 1 1   12    8   10 o   25.017   1.4206   86.525   9.6920  103.035   16.396   77.656   12.016   27.128   2.2267   23.610   1.8740 3.518631 2.910360 
1 1 1   12    8   11 o   7.4715   3.1935   0.3321   11.590  -8.8299   17.673   7.2467   15.353   8.0787   3.6694   9.5628   3.8399 -1.484048 5.311265 
1 1 1   12    8   12 o   34.048   1.4293  160.197   13.327  169.685   20.552  153.314   17.506   34.771   2.1693   33.127   1.9382 1.643639 2.909037 
1 1 1   12    8   13 o   18.581   2.4049   49.526   11.950   47.046   17.025   51.933   16.776   17.618   3.6491   18.636   3.4131 -1.018208 4.996519 
1 1 1   12    8   14 o   44.281   1.5721  273.216   19.063  148.262   30.178  356.185   24.590   31.355   3.5789   50.435   1.7805 -19.08088 3.997322 
1 1 1   12    8   15 o   9.2052   3.3045   11.620   10.597   11.475   15.485   11.748   14.533   9.8871   3.8932   9.7940   3.7960 0.9312057E-01 5.437531 
1 1 1   12    8   16 o   12.447   3.7196   25.499   13.654  -6.2343   21.240   47.850   17.825   8.5962   3.9489   16.943   3.9198 -8.346856 5.564039 
1 1 1   12    8   17 o   7.4335   3.1994   2.5483   11.780 -11.5038   17.292   14.717   16.092   7.1824   3.3859   10.077   3.9686 -2.894835 5.216686 
1 1 1   12    8   18 o   7.2345   3.1424   2.1383   11.575  -6.0224   16.520   10.007   16.222   7.3820   3.4236   9.1886   3.8453 -1.806664 5.148489 
1 1 1   12    9    0 o   15.422   3.8332   38.413   14.008   38.413   14.008   38.413   14.008   15.422   3.8332   15.422   3.8332 0.000000 0.000000 
1 1 1   12    9    1 o   36.365   1.1829  181.633   11.780  173.222   16.607  190.150   16.711   35.452   1.7107   37.153   1.6425 -1.701347 2.371590 
1 1 1   12    9    2 o   20.646   1.5665   59.024   8.7906   46.175   14.095   67.202   11.246   17.961   2.9697   21.986   1.8861 -4.025602 3.518057 
1 1 1   12    9    3 o   7.4052   2.8717   4.9391   8.3210  -2.1757   13.228   9.5976   10.704   7.6590   3.3426   9.0895   3.3129 -1.430509 4.706151 
1 1 1   12    9    4 o   20.616   1.5651   58.865   8.7696   55.954   13.917   60.782   11.294   19.890   2.6189   20.877   2.0001 -0.9867344 3.295245 
1 1 1   12    9    5 o   55.764   0.9027  426.618   13.785  439.343   22.254  418.696   17.559   56.502   1.4383   55.208   1.1615 1.294907 1.848706 
1 1 1   12    9    6 o   7.3361   3.1561  -0.5258   11.453 -17.7753   22.669   5.3866   13.272   8.6351   4.0068   8.8346   3.5621 -0.1994410 5.361242 
1 1 1   12    9    7 o   26.002   1.3708   93.310   9.7259   94.050   16.667   92.928   11.976   25.904   2.3762   25.895   1.6984 0.9010315E-02 2.920740 
1 1 1   12    9    8 o   37.783   1.0708  196.128   11.079  181.736   18.680  203.937   13.760   36.191   1.8915   38.495   1.3054 -2.304836 2.298175 
1 1 1   12    9    9 o   8.5751   3.0464   9.1079   8.9838   3.6554   15.461   11.887   11.038   9.0547   3.7686   9.6361   3.3813 -0.5814314 5.063167 
1 1 1   12    9   10 o   15.668   2.1466   34.804   8.9679   36.504   15.275   33.910   11.078   15.646   3.6347   15.305   2.7441 0.3412170 4.554220 
1 1 1   12    9   11 o   26.938   1.3665  100.456   10.047  104.204   18.713   98.938   11.909   27.076   2.5542   26.669   1.6387 0.4067154 3.034650 
1 1 1   12    9   12 o   10.452   3.5924   15.114   12.429   16.935   21.819   14.240   15.122   11.982   4.6492   10.621   3.9269 1.360558 6.085663 
1 1 1   12    9   13 o   18.055   2.5651   47.456   12.326   37.105   18.805   55.253   16.320   15.243   4.3120   19.204   3.2171 -3.961740 5.379937 
1 1 1   12    9   14 o   9.6299   3.4566   12.802   11.595  -7.8444   15.302   40.636   17.767   7.2942   3.3511   15.813   4.0770 -8.518808 5.277489 
1 1 1   12    9   15 o   9.2686   3.3339   12.215   10.791   25.051   15.017  -1.4903   15.517   12.345   3.9385   7.9218   3.5311 4.422968 5.289680 
1 1 1   12    9   16 o   13.815   3.3843   31.340   12.702   29.073   17.262   34.016   18.757   12.824   4.2327   13.697   4.4050 -0.8732538 6.109026 
1 1 1   12    9   17 o   17.431   2.3202   45.853   10.800   44.316   15.531   47.293   15.028   16.130   3.6066   16.897   3.3660 -0.7666264 4.933299 
1 1 1   12    9   18 o   13.358   3.2814   30.217   11.916   29.233   15.023   31.886   19.568   12.614   3.9281   12.682   4.4970 -0.6841850E-01 5.971047 
1 1 1   12   10    0 o   60.763   1.4254  507.622   23.688  507.622   23.688  507.622   23.688   60.763   1.4254   60.763   1.4254 0.000000 0.000000 
1 1 1   12   10    1 f   16.125   2.8860   37.373   12.276   9.4555   24.406   46.828   14.203   11.775   4.8004   18.074   2.9731 -6.298842 5.646512 
1 1 1   12   10    2 o   25.481   1.2635   89.255   8.8162   83.435   14.480   92.683   11.113   24.444   2.1863   25.890   1.5751 -1.445320 2.694594 
1 1 1   12   10    3 f   17.943   1.7567   44.848   8.5206   51.587   13.837   40.732   10.814   19.044   2.7315   16.962   2.3948 2.082113 3.632654 
1 1 1   12   10    4 f   29.926   1.1490  123.058   9.4163  122.406   15.158  123.468   12.016   29.703   1.8732   29.943   1.4655 -0.2403545 2.378319 
1 1 1   12   10    5 o   46.798   1.1393  300.950   14.600  138.605   35.776  333.390   15.992   30.748   4.3721   49.248   1.1859 -18.50048 4.530116 
1 1 1   12   10    6 o   45.153   1.3501  280.661   16.693  155.755   36.978  312.630   18.707   32.638   4.2375   47.638   1.4341 -15.00055 4.473539 
1 1 1   12   10    7 o   28.261   1.5803  110.573   12.181  137.292   22.866   99.986   14.393   31.191   2.7040   26.785   1.9763 4.405956 3.349216 
1 1 1   12   10    8 o   47.870   1.0729  315.051   14.064  307.392   29.649  317.275   15.976   46.936   2.3068   48.011   1.2152 -1.075008 2.607298 
1 1 1   12   10    9 o   25.344   1.3719   88.874   9.4860   87.530   15.997   89.602   11.781   24.895   2.3754   25.377   1.7052 -0.4819336 2.924059 
1 1 1   12   10   10 o   26.341   1.3359   96.061   9.6043   87.109   16.307  100.815   11.884   24.762   2.4364   26.918   1.6198 -2.156187 2.925742 
1 1 1   12   10   11 o   19.101   1.8240   51.341   9.4247   53.960   17.698   50.304   11.135   18.932   3.5441   18.790   2.2060 0.1422691 4.174612 
1 1 1   12   10   12 o   43.722   1.0899  263.929   13.049  263.520   22.507  264.136   16.016   43.323   1.8972   43.646   1.3400 -0.3229065 2.322681 
1 1 1   12   10   13 o   24.470   1.8968   85.046   12.611   64.215   18.790  102.121   17.012   20.387   3.4913   26.574   2.3624 -6.186680 4.215471 
1 1 1   12   10   14 o   24.680   1.8315   86.931   12.289   88.257   15.572   84.741   20.011   24.557   2.3441   23.434   3.2022 1.122990 3.968489 
1 1 1   12   10   15 o   8.9674   3.3960   11.035   11.452   23.427   15.197  -5.2465   17.419   11.780   3.9733   7.8192   3.5861 3.961170 5.352319 
1 1 1   12   10   16 o   24.966   1.8622   90.496   12.639  115.464   18.401   68.191   17.392   27.655   2.4554   20.573   3.1905 7.081608 4.025900 
1 1 1   12   10   17 o   5.4404   2.6077 -11.9978   11.148 -12.1184   14.969 -11.8477   16.703   6.4690   3.0791   6.8894   3.2714 -0.4203138 4.492550 
1 1 1   12   11    0 o   46.831   1.5222  302.219   19.474  302.219   19.474  302.219   19.474   46.831   1.5222   46.831   1.5222 0.000000 0.000000 
1 1 1   12   11    1 o   29.867   1.3526  122.784   11.063  119.997   15.587  125.612   15.704   29.381   1.9484   30.071   1.9171 -0.6894379 2.733380 
1 1 1   12   11    2 o   41.355   0.9681  234.807   10.963  239.556   17.815  231.912   13.909   41.680   1.5609   41.064   1.2369 0.6160088 1.991543 
1 1 1   12   11    3 o   18.471   1.7225   47.528   8.6118   40.514   13.858   51.941   10.992   16.701   3.1456   19.235   2.1222 -2.533331 3.794542 
1 1 1   12   11    4 o   76.106   1.0072  795.600   20.991  828.266   34.637  776.641   26.388   77.452   1.6331   75.119   1.2828 2.332123 2.076715 
1 1 1   12   11    5 o   22.268   1.4143   68.620   8.5796   76.020   13.187   63.189   11.298   23.304   2.0886   21.259   1.9629 2.045160 2.866237 
1 1 1   12   11    6 o   18.026   1.9762   45.637   9.5951   42.407   18.447   46.834   11.234   16.789   4.0575   18.183   2.3083 -1.394089 4.668187 
1 1 1   12   11    7 o   15.292   2.7450   33.890   11.072   34.020   19.609   33.829   13.416   15.009   4.4513   15.116   3.3309 -0.1071901 5.559569 
1 1 1   12   11    8 o   9.0428   3.1034   10.882   9.2734   3.4246   18.720   13.307   10.675   9.6791   4.0949   9.8658   3.3301 -0.1866961 5.278061 
1 1 1   12   11    9 o   10.483   2.9524   16.192   8.8364   5.3997   14.923   22.018   10.965   9.0718   3.7323   12.136   3.2391 -3.063972 4.941852 
1 1 1   12   11   10 o   24.706   1.4618   84.958   9.8457   84.675   15.425   85.153   12.790   24.359   2.3413   24.593   1.9143 -0.2335186 3.024267 
1 1 1   12   11   11 o   17.781   1.8524   44.847   8.8871   23.428   15.132   56.124   10.980   12.336   3.9554   19.838   2.0508 -7.502037 4.455497 
1 1 1   12   11   12 o   17.409   2.1103   43.750   9.8548   46.024   18.015   42.779   11.772   16.867   3.9669   16.987   2.6147 -0.1196384 4.751098 
1 1 1   12   11   13 o   9.3490   3.3296   12.588   10.738   17.264   14.773   7.3505   15.636   10.707   3.8935   9.1118   3.7909 1.595412 5.434196 
1 1 1   12   11   14 o   23.954   1.6866   81.996   10.993   77.830   15.678   86.024   15.417   22.729   2.5638   24.061   2.3707 -1.331646 3.491855 
1 1 1   12   11   15 o   14.837   2.7030   34.352   10.578   29.249   15.408   38.901   14.548   12.815   3.9760   15.157   3.5649 -2.342153 5.340139 
1 1 1   12   11   16 o   5.8891   2.8085 -11.7106   12.581 -23.9041   16.800   3.8585   18.983   6.1029   2.9883   8.7605   3.9052 -2.657596 4.917386 
1 1 1   12   12    0 o   10.196   4.6788   21.379   14.288   21.379   14.288   21.379   14.288   10.196   4.6788   10.196   4.6788 0.000000 0.000000 
1 1 1   12   12    1 o   7.5884   3.0943   3.4573   10.144   9.8835   13.949  -3.7553   14.778   9.7418   3.7340   7.8527   3.4760 1.889079 5.101470 
1 1 1   12   12    2 o   40.011   1.0699  220.100   11.722  210.220   17.635  227.920   15.690   38.991   1.6517   40.653   1.4094 -1.662689 2.171305 
1 1 1   12   12    3 o   26.773   1.3331   98.797   9.7732   82.717   14.498  112.190   13.231   24.263   2.2062   28.420   1.7081 -4.156450 2.790164 
1 1 1   12   12    4 o   13.725   2.5380   27.230   9.1874   16.527   13.392   36.748   12.628   10.989   3.7297   15.860   3.0179 -4.870897 4.797741 
1 1 1   12   12    5 o   27.380   1.3512  103.448   10.131   94.135   14.300  112.833   14.355   25.917   2.0312   28.441   1.8533 -2.523483 2.749658 
1 1 1   12   12    6 o   10.894   3.5190   16.964   11.960   6.6593   18.980   23.749   15.402   10.146   4.1952   12.675   3.9824 -2.529193 5.784377 
1 1 1   12   12    7 o   7.2527   3.3018  -7.3369   14.413  -1.8037   20.560 -12.6837   20.211   9.4033   4.1338   8.2737   3.8193 1.129520 5.628099 
1 1 1   12   12    8 o   22.449   1.8889   70.936   11.504   53.135   18.506   82.149   14.687   18.662   3.7514   24.035   2.2580 -5.373833 4.378520 
1 1 1   12   12    9 o   7.2236   2.8640   4.6156   8.4336   5.2574   14.139   4.2612   10.507   8.7669   3.6226   7.7157   3.1481 1.051219 4.799308 
1 1 1   12   12   10 o   22.234   1.4357   69.115   8.6945   78.124   13.871   63.284   11.159   23.334   2.1967   21.086   1.9548 2.248228 2.940487 
1 1 1   12   12   11 o   23.123   1.6327   75.505   10.272   30.136   18.807   94.790   12.262   13.453   4.4171   25.868   1.7412 -12.41456 4.747883 
1 1 1   12   12   12 o   10.363   3.4658   16.726   11.562   3.2499   17.254   27.710   15.577   8.8081   3.8313   12.840   4.0001 -4.032058 5.538880 
1 1 1   12   12   13 o   35.034   1.3227  172.260   12.690  179.865   20.611  167.617   16.104   35.043   2.1584   34.231   1.7235 0.8113365 2.762080 
1 1 1   12   12   14 o   6.5198   2.9163  -1.4753   10.683  -5.9821   15.136   2.9992   15.082   7.1295   3.2960   8.1279   3.5576 -0.9984546 4.849758 
1 1 1   12   12   15 o   19.857   1.9981   58.310   10.717   86.115   15.773   34.465   14.607   23.730   2.4632   13.926   3.7478 9.804195 4.484757 
1 1 1   12   13    0 o   6.8083   4.1171   6.7996   14.108   6.7996   14.108   6.7996   14.108   6.8083   4.1171   6.8083   4.1171 0.000000 0.000000 
1 1 1   12   13    1 f   16.715   3.1009   41.108   13.670   47.991   14.295 -32.5142   46.752   18.135   2.9824   11.888   5.5931 6.246181 6.338572 
1 1 1   12   13    2 o   22.967   1.4726   73.275   9.2128   60.549   13.797   83.516   12.376   20.581   2.4993   24.424   1.8646 -3.842384 3.118216 
1 1 1   12   13    3 o   24.036   1.4409   80.208   9.4401   64.887   13.896   93.338   12.864   21.331   2.4219   25.830   1.8306 -4.499123 3.035936 
1 1 1   12   13    4 o   13.493   2.3069   26.292   8.2173   28.982   13.050   24.525   10.578   13.853   3.4524   12.824   3.0556 1.028537 4.610430 
1 1 1   12   13    5 f   23.026   1.3492   73.599   8.4701   53.956   12.803   88.890   11.296   19.373   2.4694   25.232   1.6438 -5.859026 2.966511 
1 1 1   12   13    6 o   20.902   1.6505   61.218   9.3701   40.437   16.355   71.372   11.432   16.185   3.7617   22.509   1.8718 -6.323326 4.201672 
1 1 1   12   13    7 o   31.029   1.4881  133.934   12.644  119.820   22.985  140.058   15.140   28.553   2.9838   31.587   1.7573 -3.033939 3.462864 
1 1 1   12   13    8 o   15.499   2.5287   35.361   10.362   39.851   18.094   33.170   12.640   15.693   4.1477   14.703   3.2278 0.9899645 5.255687 
1 1 1   12   13    9 o   10.937   3.3075   18.493   10.748   5.0017   17.985   25.988   13.406   9.3350   3.9838   12.766   3.6510 -3.430935 5.403755 
1 1 1   12   13   10 o   42.506   1.3970  252.821   16.261  253.517   28.962  252.500   19.650   41.460   2.5635   42.263   1.6979 -0.8024406 3.074857 
1 1 1   12   13   11 o   5.3096   2.5051  -8.7570   9.5005   17.296   17.833 -19.0826   11.226   10.796   4.1991   4.9924   2.4442 5.803375 4.858693 
1 1 1   12   13   12 o   23.438   1.5645   78.294   9.9835   87.975   14.108   68.583   14.129   24.454   2.1281   21.324   2.4652 3.130342 3.256672 
1 1 1   12   13   13 o   19.581   1.8900   56.051   10.008   33.381   15.922   70.855   12.867   13.583   4.0067   21.810   2.1837 -8.227731 4.563156 
1 1 1   12   13   14 o   10.068   3.1008   16.777   9.3906   19.090   15.250   15.363   11.918   10.535   3.9338   9.6954   3.5015 0.8392735 5.266439 
1 1 1   12   14    0 o   7.2754   4.8427  -4.1687   25.985  -4.1687   25.985  -4.1687   25.985   7.2754   4.8427   7.2754   4.8427 0.000000 0.000000 
1 1 1   12   14    1 o   44.055   1.7005  270.781   20.514  339.530   30.137  211.424   28.003   48.992   2.2464   38.318   2.6858 10.67453 3.501427 
1 1 1   12   14    2 o   12.575   2.4263   23.190   8.0519   17.492   12.900   26.827   10.306   10.960   3.6609   13.393   2.8945 -2.433406 4.666953 
1 1 1   12   14    3 o   26.147   1.2309   94.612   8.8129   93.512   14.052   95.325   11.314   25.695   2.0133   26.107   1.5902 -0.4120483 2.565555 
1 1 1   12   14    4 o   7.5325   2.9432   5.6349   8.7910  -1.4455   16.371   8.5039   10.421   8.3324   3.6749   8.5433   3.2386 -0.2108297 4.898295 
1 1 1   12   14    5 f   26.557   1.6389   99.039   11.860   8.4366   20.055  147.775   14.708   10.257   4.2825   32.449   1.6609 -22.19130 4.593311 
1 1 1   12   14    6 o   10.175   2.9257   15.699   8.5872   21.890   16.102   13.239   10.151   11.907   4.0891   9.5656   3.2473 2.341375 5.221655 
1 1 1   12   14    7 o   11.907   3.0299   21.987   9.9039   25.313   16.765   20.204   12.275   12.499   4.1735   11.344   3.5537 1.155442 5.481463 
1 1 1   12   14    8 o   36.788   1.2421  188.571   12.512   26.729   20.291  287.869   15.894   12.658   4.5692   45.430   1.2776 -32.77255 4.744438 
1 1 1   12   14    9 o   9.5492   3.0788   14.078   9.1582   13.959   15.405   14.144   11.389   10.034   3.9029   9.6921   3.4314 0.3420935 5.196869 
1 1 1   12   14   10 o   6.2969   2.8014  -1.3441   9.7174   9.9951   17.282  -6.5870   11.751   9.5102   3.9734   6.2397   2.8916 3.270423 4.914189 
1 1 1   12   14   11 o   8.6493   3.3184   10.319   11.024   6.9693   16.786   12.859   14.617   8.9339   3.8316   9.5404   3.7743 -0.6065722 5.378333 
1 1 1   12   14   12 o   10.844   3.1899   19.610   10.105   26.916   13.782   11.116   14.860   12.322   3.7494   9.1788   3.7442 3.142940 5.298822 
1 1 1   12   14   13 o   10.940   3.0212   19.876   9.3490   21.654   15.171   18.788   11.871   10.986   3.9528   10.454   3.5117 0.5321646 5.287442 
1 1 1   12   15    0 o   21.309   3.1148   68.537   17.040   68.537   17.040   68.537   17.040   21.309   3.1148   21.309   3.1148 0.000000 0.000000 
1 1 1   12   15    1 o   28.616   1.8181  116.078   14.173   74.668   22.396  143.742   18.305   21.606   3.9301   31.664   2.1234 -10.05808 4.467074 
1 1 1   12   15    2 o   17.219   1.7573   42.216   8.1701   49.773   13.293   37.628   10.357   18.247   2.7453   15.965   2.4472 2.282545 3.677716 
1 1 1   12   15    3 o   8.2488   2.8756   9.4475   7.9773   2.0174   12.559   14.473   10.329   7.7311   3.3149   9.8361   3.2755 -2.105047 4.660178 
1 1 1   12   15    4 f   7.2425   2.8123   5.6636   7.9879   16.013   12.618  -1.2583   10.319   10.332   3.6157   6.5996   2.9138 3.732840 4.643661 
1 1 1   12   15    5 o   9.6537   2.8196   14.312   7.9198   10.011   12.309   17.350   10.346   8.9917   3.4911   10.524   3.2569 -1.532053 4.774463 
1 1 1   12   15    6 o   11.147   2.9376   19.513   9.0932   4.6817   17.854   24.708   10.566   9.0609   3.9192   12.477   3.1050 -3.415963 5.000119 
1 1 1   12   15    7 o   10.451   3.1579   17.444   9.8013   6.8955   15.036   25.239   12.925   8.7927   3.6921   12.299   3.6048 -3.505874 5.160063 
1 1 1   12   15    8 o   23.383   1.5929   78.022   10.139   64.776   16.926   85.434   12.662   20.148   3.1726   24.254   1.9222 -4.105574 3.709485 
1 1 1   12   15    9 o   9.5905   3.1798   14.698   9.7377   12.638   16.275   15.846   12.153   9.6688   3.9283   9.9401   3.5419 -0.2712450 5.289349 
1 1 1   12   15   10 o   14.200   2.6724   31.691   10.010  -4.9312   16.791   51.882   12.468   7.5363   3.4797   18.344   2.5511 -10.80741 4.314696 
1 1 1   12   15   11 o   7.7811   3.0985   7.4294   9.9110   19.820   17.498   1.5769   12.026   10.694   4.1596   7.2106   3.1659 3.483471 5.227337 
1 1 1   12   16    0 o   23.209   2.3933   78.741   14.840   78.741   14.840   78.741   14.840   23.209   2.3933   23.209   2.3933 0.000000 0.000000 
1 1 1   12   16    1 o   6.1960   2.8311  -4.6079   10.720 -17.5464   17.038   3.8710   13.793   6.7263   3.2241   8.1409   3.4818 -1.414634 4.745285 
1 1 1   12   16    2 o   21.545   1.6133   66.131   9.4490   66.256   15.043   66.049   12.144   20.870   2.6951   21.240   2.1161 -0.3698158 3.426584 
1 1 1   12   16    3 o   16.041   2.5373   39.082   10.774   56.514   14.280   16.043   16.417   19.148   2.8068   10.394   4.0328 8.754513 4.913430 
1 1 1   12   16    4 o   8.3933   3.0084   10.164   8.7795   5.9394   13.856   12.997   11.348   8.3914   3.5351   9.3345   3.4097 -0.9431353 4.911503 
1 1 1   12   16    5 o   17.033   2.0314   42.687   9.2878   30.532   14.217   51.736   12.267   13.312   3.7436   18.469   2.4889 -5.156788 4.495453 
1 1 1   12   16    6 o   9.9207   3.2683   15.916   10.294  -6.8029   19.576   24.598   12.102   7.9800   3.7097   12.057   3.4750 -4.076908 5.083109 
1 1 1   12   16    7 o   10.272   3.1889   17.372   9.9095   5.1438   17.413   23.229   12.051   8.7439   3.8251   11.655   3.4972 -2.910942 5.182787 
1 1 1   12   16    8 f   16.334   2.2901   40.467   9.9617   15.100   16.471   55.098   12.509   9.9441   3.9828   18.954   2.4687 -9.009692 4.685829 
1 1 1   12   16    9 o   8.1443   3.0874   9.4115   9.4704  -7.2435   15.185   20.012   12.115   6.9225   3.2345   10.746   3.5460 -3.822995 4.799576 
1 1 1   12   17    0 o   7.1445   4.2571   10.650   14.644   10.650   14.644   10.650   14.644   7.1445   4.2571   7.1445   4.2571 0.000000 0.000000 
1 1 1   12   17    1 o   16.903   2.2715   43.048   10.248   37.632   13.806   49.695   15.295   14.938   3.4452   17.329   3.3442 -2.390554 4.801391 
1 1 1   12   17    2 o   10.526   3.1411   18.267   9.7416   19.368   15.858   17.600   12.345   10.704   4.0087   10.283   3.5777 0.4206676 5.373047 
1 1 1   12   17    3 o   6.8640   2.8662   3.6222   8.9852   7.9949   13.528   0.1700   12.020   8.5185   3.5336   7.0583   3.1290 1.460250 4.719853 
1 1 1   12   17    4 o   7.4018   2.9375   6.3971   8.8801   8.7838   13.368   4.5121   11.880   8.6020   3.5349   7.6521   3.2510 0.9498401 4.802577 
1 1 1   12   17    5 o   7.6937   3.1261   6.5843   10.308   33.435   13.810 -27.1881   15.488   13.821   3.6096   5.5975   2.7657 8.223496 4.547375 
1 1 1   12   17    6 o   8.4244   3.2562   10.024   10.671   2.9559   14.701   17.895   15.514   7.9230   3.4889   10.292   3.9395 -2.368892 5.262386 
1 1 1   13    0    1 o   24.079   2.3058   81.968   14.883   81.968   14.883   81.968   14.883   24.079   2.3058   24.079   2.3058 0.000000 0.000000 
1 1 1   13    0    2 o   29.017   1.9200  117.233   15.103  117.233   15.103  117.233   15.103   29.017   1.9200   29.017   1.9200 0.000000 0.000000 
1 1 1   13    0    3 o   38.807   2.4333  209.920   25.625  209.920   25.625  209.920   25.625   38.807   2.4333   38.807   2.4333 0.000000 0.000000 
1 1 1   13    0    4 o   6.0119   3.8071   2.0450   13.502   2.0450   13.502   2.0450   13.502   6.0119   3.8071   6.0119   3.8071 0.000000 0.000000 
1 1 1   13    0    5 o   37.906   1.5098  198.187   15.615  198.187   15.615  198.187   15.615   37.906   1.5098   37.906   1.5098 0.000000 0.000000 
1 1 1   13    0    6 o   7.4357   4.3200   9.5584   14.442   9.5584   14.442   9.5584   14.442   7.4357   4.3200   7.4357   4.3200 0.000000 0.000000 
1 1 1   13    0    7 o   36.849   1.7696  187.932   17.762  187.932   17.762  187.932   17.762   36.849   1.7696   36.849   1.7696 0.000000 0.000000 
1 1 1   13    0    8 o   36.290   1.8309  182.482   18.089  182.482   18.089  182.482   18.089   36.290   1.8309   36.290   1.8309 0.000000 0.000000 
1 1 1   13    0    9 o   10.488   4.9559   22.755   16.106   22.755   16.106   22.755   16.106   10.488   4.9559   10.488   4.9559 0.000000 0.000000 
1 1 1   13    0   10 o   16.413   4.2914   44.468   16.666   44.468   16.666   44.468   16.666   16.413   4.2914   16.413   4.2914 0.000000 0.000000 
1 1 1   13    0   11 o   9.2343   4.8265   17.789   16.008   17.789   16.008   17.789   16.008   9.2343   4.8265   9.2343   4.8265 0.000000 0.000000 
1 1 1   13    0   12 o   25.590   2.4021   93.092   16.492   93.092   16.492   93.092   16.492   25.590   2.4021   25.590   2.4021 0.000000 0.000000 
1 1 1   13    0   13 o   15.389   5.7739   46.250   22.724   46.250   22.724   46.250   22.724   15.389   5.7739   15.389   5.7739 0.000000 0.000000 
1 1 1   13    0   14 o   6.4470   4.0944   3.1766   15.741   3.1766   15.741   3.1766   15.741   6.4470   4.0944   6.4470   4.0944 0.000000 0.000000 
1 1 1   13    0   15 o   32.737   2.1025  151.374   18.670  151.374   18.670  151.374   18.670   32.737   2.1025   32.737   2.1025 0.000000 0.000000 
1 1 1   13    0   16 o   9.8994   4.9406   22.558   16.306   22.558   16.306   22.558   16.306   9.8994   4.9406   9.8994   4.9406 0.000000 0.000000 
1 1 1   13    0   17 o   6.7164   4.2718   5.5972   17.211   5.5972   17.211   5.5972   17.211   6.7164   4.2718   6.7164   4.2718 0.000000 0.000000 
1 1 1   13    0   18 o   19.935   3.7156   65.075   18.216   65.075   18.216   65.075   18.216   19.935   3.7156   19.935   3.7156 0.000000 0.000000 
1 1 1   13    0   19 o   7.6901   4.4304   14.117   14.994   14.117   14.994   14.117   14.994   7.6901   4.4304   7.6901   4.4304 0.000000 0.000000 
1 1 1   13    1    0 o   21.816   2.6377   68.408   15.146   68.408   15.146   68.408   15.146   21.816   2.6377   21.816   2.6377 0.000000 0.000000 
1 1 1   13    1    1 o   77.007   1.1834  814.332   24.955  801.422   41.246  821.786   31.342   76.195   1.9768   77.295   1.4808 -1.100273 2.469916 
1 1 1   13    1    2 o   41.350   1.2235  234.848   13.854  242.737   17.927  223.151   21.829   41.997   1.5589   40.203   1.9828 1.793903 2.522246 
1 1 1   13    1    3 o   30.829   1.4419  130.725   12.173  144.206   16.035  112.385   18.702   32.286   1.8211   28.367   2.4311 3.919201 3.037531 
1 1 1   13    1    4 o   27.528   1.3973  104.474   10.499  104.326   15.862  104.588   14.005   27.383   2.1322   27.467   1.8732 -0.8417511E-01 2.838126 
1 1 1   13    1    5 o   60.554   0.9984  503.221   16.555  507.973   29.710  501.082   19.937   60.684   1.7879   60.393   1.2056 0.2905502 2.156381 
1 1 1   13    1    6 o   28.902   1.3162  114.853   10.417  122.460   20.811  112.310   12.033   29.558   2.5976   28.517   1.5467 1.040951 3.023226 
1 1 1   13    1    7 o   29.835   1.2330  122.344   10.074   99.300   16.418  136.258   12.757   26.663   2.2703   31.458   1.4809 -4.795753 2.710633 
1 1 1   13    1    8 o   11.467   3.4015   18.867   11.449   17.168   16.616   20.402   15.798   11.639   4.1422   12.186   4.0505 -0.5461683 5.793492 
1 1 1   13    1    9 o   36.253   1.3198  180.865   13.102  189.936   18.737  172.187   18.328   37.061   1.8462   35.226   1.9071 1.835468 2.654332 
1 1 1   13    1   10 o   13.797   3.1085   27.883   11.462   10.462   16.110   45.743   16.312   10.293   3.9946   17.651   3.4984 -7.358300 5.309995 
1 1 1   13    1   11 o   18.516   2.3046   48.559   11.432   41.047   16.251   55.920   16.086   16.606   3.6713   19.651   3.0915 -3.044447 4.799522 
1 1 1   13    1   12 o   21.280   2.0056   63.629   11.549   44.955   16.420   81.912   16.247   17.358   3.5735   24.008   2.5083 -6.650627 4.365984 
1 1 1   13    1   13 o   77.581   1.3532  832.335   28.747  817.997   40.580  846.781   40.731   76.513   1.9368   77.869   1.9102 -1.355942 2.720271 
1 1 1   13    1   14 o   25.712   1.7822   92.919   12.471   90.126   18.196   95.393   17.125   24.906   2.7117   25.760   2.4575 -0.8540478 3.659650 
1 1 1   13    1   15 o   11.033   3.4066   18.698   11.326   18.463   16.936   18.889   15.234   11.312   4.1604   11.260   3.9705 0.5248260E-01 5.750947 
1 1 1   13    1   16 o   17.792   2.3633   46.826   11.229   61.007   16.173   33.626   15.604   19.876   3.0704   14.180   3.8977 5.696500 4.961864 
1 1 1   13    1   17 o   20.029   2.4598   60.519   13.207   45.810   17.495   80.009   20.139   16.216   3.9714   22.178   3.4266 -5.961138 5.245333 
1 1 1   13    1   18 o   6.3159   2.8561  -2.4242   10.566  -0.7855   15.099  -3.9969   14.791   7.6025   3.4282   7.1903   3.3002 0.4122300 4.758572 
1 1 1   13    1   19 o   9.1096   3.3550   13.299   11.019   10.734   15.017   16.291   16.219   8.9840   3.7246   9.9510   3.9634 -0.9670019 5.438820 
1 1 1   13    2    0 o   8.5881   4.9829   12.916   19.176   12.916   19.176   12.916   19.176   8.5881   4.9829   8.5881   4.9829 0.000000 0.000000 
1 1 1   13    2    1 o   74.425   1.3267  761.251   27.038  722.135   37.220  804.961   39.344   72.351   1.8786   76.387   1.8809 -4.035866 2.658415 
1 1 1   13    2    2 o   48.754   1.3900  326.822   18.558  328.715   27.099  325.151   25.467   48.780   2.0287   48.538   1.9161 0.2418823 2.790516 
1 1 1   13    2    3 o   24.193   1.7444   81.094   11.479  121.557   22.060   66.069   13.442   29.422   2.7707   21.723   2.2945 7.698751 3.597411 
1 1 1   13    2    4 o   74.642   1.0268  764.680   20.987  791.401   37.731  752.710   25.253   75.739   1.8192   74.013   1.2460 1.725609 2.205025 
1 1 1   13    2    5 o   16.278   2.2319   37.365   9.6863   42.495   19.066   35.580   11.246   16.951   4.1425   15.774   2.7007 1.177094 4.945105 
1 1 1   13    2    6 o   29.550   1.1376  119.940   9.2055  134.631   14.526  110.081   11.900   31.200   1.7067   28.231   1.5452 2.969893 2.302280 
1 1 1   13    2    7 o   32.348   1.0213  143.654   9.0465  142.554   13.031  144.677   12.569   32.176   1.4790   32.423   1.4156 -0.2463684 2.047269 
1 1 1   13    2    8 o   16.682   2.0420   39.096   9.1335   40.363   15.782   38.458   11.200   16.582   3.5804   16.424   2.5749 0.1582413 4.410160 
1 1 1   13    2    9 o   29.561   1.5215  120.780   12.275  133.578   17.640  108.768   17.090   30.965   2.0927   27.887   2.2574 3.078375 3.078141 
1 1 1   13    2   10 o   28.687   1.5778  113.939   12.347  118.070   17.908  110.196   17.045   29.034   2.2705   28.053   2.2375 0.9815273 3.187733 
1 1 1   13    2   11 o   34.935   1.3368  168.245   12.788  139.789   17.777  198.760   18.409   31.631   2.0637   37.872   1.7751 -6.241377 2.722144 
1 1 1   13    2   12 o   41.848   1.3275  241.715   15.212  244.119   22.417  239.663   20.711   41.860   1.9557   41.523   1.8215 0.3364639 2.672520 
1 1 1   13    2   13 o   9.3158   3.6054   9.2222   13.095   20.573   20.326   1.1667   17.123   12.357   4.5558   8.9510   3.8549 3.406264 5.967901 
1 1 1   13    2   14 o   36.144   1.5300  181.886   15.144  181.751   19.012  182.121   25.047   35.902   1.9411   35.540   2.5915 0.3615189 3.237828 
1 1 1   13    2   15 o   14.148   2.9655   30.550   11.122   41.712   16.625   21.509   14.962   16.117   3.8246   11.759   3.9426 4.357383 5.492866 
1 1 1   13    2   16 o   14.457   2.8382   32.239   10.835   48.214   15.608   17.380   15.053   17.375   3.4022   10.684   3.9234 6.690880 5.193040 
1 1 1   13    2   17 o   11.220   3.5080   21.060   11.968  -1.7754   15.347   56.495   19.118   7.6534   3.4533   18.025   3.9796 -10.37161 5.268982 
1 1 1   13    2   18 o   17.457   2.4575   46.836   11.422   44.802   15.403   49.322   17.026   16.124   3.5817   16.716   3.8050 -0.5924072 5.225509 
1 1 1   13    2   19 o   14.685   2.8942   35.196   11.225   36.702   15.255   33.417   16.577   14.114   3.8433   13.144   4.1317 0.9699488 5.642878 
1 1 1   13    3    0 o   8.4926   4.9447   12.494   18.985   12.494   18.985   12.494   18.985   8.4926   4.9447   8.4926   4.9447 0.000000 0.000000 
1 1 1   13    3    1 o   13.532   3.1456   26.614   11.435   34.495   19.208   22.287   14.231   15.341   4.3643   12.510   3.8108 2.831227 5.793908 
1 1 1   13    3    2 o   9.1790   3.3908   9.4518   11.270   16.509   19.750   6.0445   13.723   12.029   4.4797   9.0814   3.6361 2.947589 5.769675 
1 1 1   13    3    3 o   45.915   0.9479  289.246   11.918  300.697   18.554  281.202   15.551   46.750   1.4493   45.237   1.2553 1.513569 1.917423 
1 1 1   13    3    4 o   42.362   1.0443  246.334   12.114  230.408   16.753  263.786   17.537   40.914   1.4953   43.783   1.4627 -2.868313 2.091757 
1 1 1   13    3    5 o   5.0738   2.3506  -6.4906   7.7572  -0.3626   11.106 -12.3290   10.840   7.2575   3.1147   5.6320   2.6629 1.625462 4.097816 
1 1 1   13    3    6 o   14.978   2.0964   31.639   8.3624   26.981   12.875   35.038   10.998   13.576   3.4547   15.651   2.6614 -2.074193 4.361020 
1 1 1   13    3    7 o   17.286   1.8346   41.727   8.5516   44.813   13.387   39.599   11.115   17.691   2.8611   16.693   2.5092 0.9986744 3.805519 
1 1 1   13    3    8 o   31.193   1.1973  133.769   10.227  161.937   17.644  119.518   12.550   34.166   1.8933   29.402   1.5644 4.763823 2.455997 
1 1 1   13    3    9 o   24.583   1.4507   83.563   9.7220   77.934   16.597   86.503   11.996   23.472   2.6272   24.955   1.7669 -1.482403 3.166035 
1 1 1   13    3   10 o   36.399   1.3649  182.578   13.604  154.376   20.261  205.729   18.357   33.218   2.2406   38.561   1.7385 -5.342896 2.835932 
1 1 1   13    3   11 o   16.616   2.9257   40.134   12.826   49.756   20.933   34.351   16.228   18.073   4.2933   15.104   3.8975 2.969396 5.798590 
1 1 1   13    3   12 o   26.053   2.0704   95.446   14.649   31.257   29.573  116.318   16.863   14.868   5.4926   28.745   2.1581 -13.87732 5.901332 
1 1 1   13    3   13 o   22.713   1.9278   72.696   11.877   87.523   16.240   55.644   17.416   24.742   2.4282   19.257   3.4283 5.484287 4.201163 
1 1 1   13    3   14 o   8.7928   3.5000   7.5284   12.641 -25.8360   17.261   46.122   18.565   6.4289   3.1214   17.020   4.0432 -10.59096 5.107920 
1 1 1   13    3   15 o   9.0308   3.3090   10.953   10.699   13.906   15.338   8.1543   14.933   10.238   3.9176   9.2024   3.7536 1.035856 5.425545 
1 1 1   13    3   16 o   12.930   3.2022   26.798   11.279   23.396   16.853   29.558   15.179   11.848   4.1764   13.196   3.9170 -1.348186 5.725857 
1 1 1   13    3   17 o   23.083   1.9031   77.591   11.922  101.227   16.350   50.761   17.420   26.020   2.3191   17.160   3.8069 8.859894 4.457626 
1 1 1   13    3   18 o   9.1050   3.4247   12.762   11.599   14.233   14.933   10.526   18.415   9.6388   3.8144   9.4211   4.0261 0.2176504 5.546087 
1 1 1   13    4    0 o   14.505   3.9482   34.887   13.556   34.887   13.556   34.887   13.556   14.505   3.9482   14.505   3.9482 0.000000 0.000000 
1 1 1   13    4    1 o   23.738   1.6011   77.956   10.347   74.806   14.342   81.375   14.940   23.124   2.2953   24.128   2.2886 -1.004639 3.241337 
1 1 1   13    4    2 o   35.095   1.2028  169.210   11.559  162.299   16.142  176.484   16.560   34.267   1.7257   35.783   1.6900 -1.515446 2.415433 
1 1 1   13    4    3 o   28.612   1.1948  112.465   9.3612  108.462   14.354  115.428   12.349   27.966   1.8854   28.909   1.5657 -0.9438629 2.450752 
1 1 1   13    4    4 o   32.377   1.1026  143.947   9.7754  137.770   15.147  148.355   12.797   31.554   1.7600   32.836   1.4232 -1.281960 2.263429 
1 1 1   13    4    5 o   49.062   0.8415  330.161   11.305  327.871   16.066  332.408   15.911   48.846   1.2011   49.186   1.1813 -0.3396797 1.684713 
1 1 1   13    4    6 o   37.842   0.9446  196.529   9.7888  219.079   14.342  176.860   13.394   39.911   1.3122   35.854   1.3642 4.057808 1.892901 
1 1 1   13    4    7 o   13.315   2.6703   25.594   9.3971   15.635   18.599   29.007   10.889   11.646   4.3452   14.144   2.9086 -2.498264 5.228836 
1 1 1   13    4    8 f   12.052   2.7859   21.133   9.0103   9.6258   15.013   27.611   11.264   9.9507   3.8578   13.751   3.0692 -3.800545 4.929791 
1 1 1   13    4    9 o   7.6737   3.0810   4.2182   9.8829   10.738   15.399  -0.3482   12.887   10.201   3.9201   7.7750   3.3464 2.425690 5.154163 
1 1 1   13    4   10 o   28.391   1.5313  111.639   11.861   99.511   16.603  124.279   16.950   26.604   2.3017   29.817   2.0891 -3.212587 3.108418 
1 1 1   13    4   11 o   13.201   3.0715   25.767   10.894   19.922   15.235   31.883   15.585   11.879   3.9784   14.536   3.8530 -2.657022 5.538390 
1 1 1   13    4   12 o   9.3534   3.6035   9.3729   13.035   11.788   21.640   7.9974   16.330   11.257   4.5452   9.7704   3.9472 1.486916 6.019906 
1 1 1   13    4   13 o   22.804   1.8655   73.274   11.547   77.448   16.869   69.594   15.839   23.095   2.7195   21.888   2.7000 1.207190 3.832155 
1 1 1   13    4   14 o   10.705   3.5276   17.146   11.992   21.360   16.101   11.898   17.970   11.857   4.0881   10.393   4.1609 1.464098 5.833131 
1 1 1   13    4   15 o   6.8005   2.9815  -0.5244   10.632  -3.4574   15.192   2.2916   14.886   7.6401   3.4426   8.2775   3.5795 -0.6373482 4.966278 
1 1 1   13    4   16 o   13.817   3.3053   31.021   12.338   16.550   20.577   39.144   15.417   10.842   4.4124   15.261   3.7223 -4.419362 5.772780 
1 1 1   13    4   17 o   13.262   3.3274   29.439   12.064   21.218   17.648   36.650   16.529   11.105   4.2134   14.225   4.0491 -3.119584 5.843621 
1 1 1   13    4   18 o   5.6021   2.6423  -8.2041   10.555   0.7754   14.979 -17.0613   14.877   7.6929   3.4462   6.0459   2.9265 1.646960 4.521143 
1 1 1   13    5    0 o   60.307   1.4359  500.046   23.683  500.046   23.683  500.046   23.683   60.307   1.4359   60.307   1.4359 0.000000 0.000000 
1 1 1   13    5    1 o   34.369   1.2010  162.290   11.303  163.770   15.945  160.796   16.026   34.466   1.6894   34.105   1.7216 0.3612595 2.412035 
1 1 1   13    5    2 o   32.957   1.2599  149.290   11.370  150.616   15.834  147.878   16.338   32.997   1.7587   32.680   1.8331 0.3165512 2.540314 
1 1 1   13    5    3 o   52.982   0.9282  385.162   13.466  402.889   21.040  372.860   17.527   54.110   1.4199   52.087   1.2288 2.022907 1.877809 
1 1 1   13    5    4 o   20.225   1.6116   56.727   8.8511   65.518   13.847   50.654   11.509   21.594   2.3813   18.982   2.2585 2.611599 3.281992 
1 1 1   13    5    5 o   47.427   0.9348  308.680   12.141  300.133   19.110  314.464   15.721   46.683   1.4949   47.834   1.2002 -1.151173 1.917101 
1 1 1   13    5    6 o   11.995   2.4959   20.759   7.9315   9.9242   11.205   31.641   11.229   9.2440   3.3864   14.794   2.8753 -5.550212 4.442420 
1 1 1   13    5    7 o   53.217   1.0030  388.906   14.616  431.873   28.336  373.330   17.061   55.882   1.8517   52.108   1.1956 3.773506 2.204178 
1 1 1   13    5    8 o   37.235   1.1361  190.611   11.584  154.403   21.076  206.284   13.866   33.216   2.3319   38.709   1.3081 -5.493309 2.673740 
1 1 1   13    5    9 o   17.909   1.9078   44.965   9.2121   45.895   15.401   44.447   11.495   17.713   3.2964   17.675   2.4401 0.3799820E-01 4.101228 
1 1 1   13    5   10 o   18.688   1.7899   48.867   9.0479   53.382   15.278   46.428   11.229   19.191   3.0060   18.079   2.3217 1.112070 3.798200 
1 1 1   13    5   11 o   19.222   2.5186   52.952   12.938   32.218   21.356   64.976   16.263   14.571   4.7019   21.191   2.8769 -6.620405 5.512181 
1 1 1   13    5   12 o   19.619   2.6332   55.696   13.790   60.843   23.581   53.021   16.999   19.625   4.4859   18.799   3.4285 0.8256912 5.646004 
1 1 1   13    5   13 o   18.177   2.2605   47.571   11.008   45.317   16.117   49.541   15.071   17.159   3.5473   18.164   3.1438 -1.005156 4.739954 
1 1 1   13    5   14 o   10.919   3.5145   18.285   11.938   15.856   16.146   21.215   17.731   10.729   4.0395   11.829   4.2710 -1.099888 5.878721 
1 1 1   13    5   15 o   8.1656   3.2941   6.7009   11.355  -0.6753   14.830   17.156   17.655   7.8259   3.4722   10.856   4.1906 -3.030568 5.442149 
1 1 1   13    5   16 o   10.191   3.4290   16.752   11.318   16.623   15.278   16.910   16.851   10.336   3.9206   10.490   4.0814 -0.1538534 5.659438 
1 1 1   13    5   17 o   8.7770   3.3477   11.180   11.178   9.4608   15.280   13.159   16.396   8.9718   3.7413   9.6518   3.9346 -0.6799774 5.429395 
1 1 1   13    5   18 o   12.046   3.2859   24.976   11.139   13.211   14.729   40.699   17.027   9.3637   3.7607   14.657   4.0879 -5.293619 5.554619 
1 1 1   13    6    0 o   35.727   1.6806  176.546   16.359  176.546   16.359  176.546   16.359   35.727   1.6806   35.727   1.6806 0.000000 0.000000 
1 1 1   13    6    1 o   22.409   1.6739   69.627   10.198   60.574   14.337   78.895   14.508   20.705   2.5850   23.747   2.2582 -3.041927 3.432406 
1 1 1   13    6    2 o   41.710   1.1127  238.959   12.709  229.197   17.602  249.590   18.369   40.784   1.5761   42.560   1.5762 -1.775719 2.228977 
1 1 1   13    6    3 o   17.519   1.8495   42.859   8.7389   46.962   13.695   40.040   11.350   18.122   2.8540   16.778   2.5508 1.344305 3.827743 
1 1 1   13    6    4 o   31.677   1.1434  137.869   9.9183  143.741   15.586  133.873   12.858   32.217   1.7735   31.174   1.5062 1.043058 2.326788 
1 1 1   13    6    5 o   23.472   1.4252   76.144   9.1170   63.244   14.004   85.633   12.011   21.176   2.4609   24.836   1.7778 -3.659531 3.035909 
1 1 1   13    6    6 o   15.451   1.9776   33.586   8.1751   33.197   11.367   34.004   11.767   15.159   2.8427   15.330   2.9094 -0.1713781 4.067667 
1 1 1   13    6    7 f   35.435   1.1287  172.620   10.952  156.205   17.521  183.148   14.031   33.527   1.9164   36.459   1.4054 -2.931675 2.376507 
1 1 1   13    6    8 o   45.123   1.0300  279.818   12.727  293.136   23.293  274.149   15.197   45.994   1.8494   44.626   1.2436 1.368668 2.228631 
1 1 1   13    6    9 o   53.756   0.9491  397.070   13.971  394.066   22.769  398.885   17.694   53.392   1.5573   53.821   1.2005 -0.4296150 1.966367 
1 1 1   13    6   10 o   14.396   2.3897   29.834   9.0900   32.972   15.010   28.017   11.423   14.776   3.7138   13.748   3.1073 1.028607 4.842332 
1 1 1   13    6   11 f   35.730   1.7264  177.683   16.892   62.648   30.947  226.496   20.159   19.438   5.5431   40.302   1.8267 -20.86307 5.836325 
1 1 1   13    6   12 o   7.0738   3.0658  -0.2976   10.969   9.4046   15.119 -11.0794   15.938   9.6636   3.8337   7.2420   3.3601 2.421607 5.097762 
1 1 1   13    6   13 o   7.7308   3.1339   4.8813   10.332   23.143   14.949 -11.8206   14.296   12.179   3.9342   6.6420   3.1146 5.537476 5.017794 
1 1 1   13    6   14 o   13.788   3.3733   30.241   12.632   17.920   17.886   42.502   17.843   11.119   4.2362   15.953   4.0710 -4.833906 5.875212 
1 1 1   13    6   15 o   7.5410   3.1001   4.9020   10.287  -0.6672   14.895   9.9804   14.223   7.7730   3.4625   9.1676   3.6907 -1.394618 5.060675 
1 1 1   13    6   16 o   7.1604   3.1263   1.3807   11.582  -8.8833   15.052   16.275   18.133   6.8331   3.2015   10.372   4.1701 -3.538553 5.257329 
1 1 1   13    6   17 o   14.672   2.7428   34.266   10.615   37.298   15.030   31.248   14.992   14.443   3.7627   13.064   3.8963 1.379218 5.416492 
1 1 1   13    7    0 o   12.462   4.4568   28.574   13.890   28.574   13.890   28.574   13.890   12.462   4.4568   12.462   4.4568 0.000000 0.000000 
1 1 1   13    7    1 o   46.648   1.0669  298.874   13.628  302.137   19.403  295.698   19.146   46.828   1.5131   46.327   1.5092 0.5009460 2.137083 
1 1 1   13    7    2 o   10.180   3.1678   14.556   9.7723   19.596   13.834   9.5369   13.807   11.814   3.7813   9.6982   3.7155 2.115856 5.301217 
1 1 1   13    7    3 o   45.627   0.9329  285.751   11.656  253.549   17.739  310.215   15.462   42.893   1.5103   47.503   1.1886 -4.610332 1.921906 
1 1 1   13    7    4 o   13.290   2.4135   25.325   8.4601   19.057   13.220   29.673   11.010   11.625   3.6939   14.299   2.9108 -2.674170 4.702897 
1 1 1   13    7    5 o   13.380   2.4080   25.673   8.4980   27.742   13.149   24.189   11.136   13.719   3.4915   12.845   3.1824 0.8741817 4.724176 
1 1 1   13    7    6 o   17.057   1.9140   40.804   8.7859   30.562   13.310   48.712   11.696   14.389   3.4271   18.553   2.3552 -4.164116 4.158408 
1 1 1   13    7    7 o   20.061   1.7735   56.146   9.6420   44.715   16.102   62.536   12.039   17.413   3.4984   21.102   2.1117 -3.689764 4.086357 
1 1 1   13    7    8 o   10.848   3.0352   17.201   9.3708   7.8576   17.512   20.950   11.092   10.090   4.0836   11.923   3.2901 -1.833022 5.244066 
1 1 1   13    7    9 o   10.610   2.9657   16.513   8.9510   15.711   14.910   16.966   11.192   10.956   3.9212   10.844   3.3927 0.1124182 5.185184 
1 1 1   13    7   10 o   36.219   1.5889  182.065   15.758  114.080   32.451  203.042   18.026   27.151   4.5239   38.203   1.7231 -11.05188 4.840986 
1 1 1   13    7   11 o   31.099   1.3967  134.090   11.894   52.702   23.720  161.428   13.748   18.019   4.7427   34.099   1.4723 -16.07968 4.965933 
1 1 1   13    7   12 o   15.430   2.5587   35.070   10.432   26.734   15.172   42.547   14.368   13.020   3.9277   16.700   3.2589 -3.679690 5.103690 
1 1 1   13    7   13 o   11.997   3.0968   22.372   10.243   31.146   14.845   14.399   14.151   13.856   3.7990   10.191   3.7926 3.664994 5.368052 
1 1 1   13    7   14 o   9.2722   3.4829   11.872   11.989   25.137   16.630  -2.4836   17.300   12.223   4.1562   8.1367   3.6693 4.086067 5.544188 
1 1 1   13    7   15 o   5.1375   2.4987 -16.4658   11.190  -0.8986   16.638 -29.3220   15.120   8.0171   3.6085   5.4544   2.7018 2.562735 4.507850 
1 1 1   13    7   16 o   7.9840   3.2323   7.3789   10.976   11.660   15.077   2.5515   16.009   9.2822   3.7772   8.1622   3.6152 1.119981 5.228459 
1 1 1   13    7   17 o   5.5402   2.6157  -8.1914   10.392 -12.7382   14.705  -3.6547   14.688   6.3063   3.0154   7.1217   3.2761 -0.8154278 4.452593 
1 1 1   13    8    0 o   10.250   4.6005   21.332   13.788   21.332   13.788   21.332   13.788   10.250   4.6005   10.250   4.6005 0.000000 0.000000 
1 1 1   13    8    1 o   14.598   2.5708   30.590   9.9015   28.425   13.803   32.886   14.212   13.880   3.6007   14.932   3.5312 -1.051296 5.043271 
1 1 1   13    8    2 o   19.444   1.9545   52.884   10.266   30.254   14.013   79.101   15.082   14.310   3.5838   23.723   2.3527 -9.412628 4.287072 
1 1 1   13    8    3 o   19.832   1.6530   54.689   8.8951   40.141   13.699   65.293   11.696   16.616   3.1255   21.611   1.9990 -4.995689 3.710145 
1 1 1   13    8    4 o   15.112   2.1104   32.314   8.4949   37.141   12.948   28.665   11.256   15.973   3.0716   14.004   3.0238 1.969405 4.310264 
1 1 1   13    8    5 o   25.463   1.2945   89.522   8.9964   74.638   13.432  101.632   12.116   23.065   2.1515   27.068   1.6423 -4.002947 2.706656 
1 1 1   13    8    6 o   36.612   1.1679  184.488   11.709  147.321   22.326  198.588   13.751   32.312   2.5438   37.957   1.3230 -5.645554 2.867265 
1 1 1   13    8    7 o   47.195   0.9811  306.190   12.679  309.364   21.511  304.500   15.695   47.262   1.6621   47.013   1.2192 0.2487907 2.061272 
1 1 1   13    8    8 o   45.920   1.0673  290.281   13.421  300.677   26.088  286.539   15.651   46.398   2.0533   45.576   1.2540 0.8212738 2.405971 
1 1 1   13    8    9 f   28.644   1.3802  113.521   10.826  103.336   21.934  116.802   12.448   26.645   3.0617   28.969   1.5751 -2.323645 3.443112 
1 1 1   13    8   10 o   13.582   2.7744   27.358   9.9695   19.342   18.039   30.884   11.963   11.826   4.3021   14.323   3.1369 -2.497260 5.324246 
1 1 1   13    8   11 o   17.490   1.8815   43.504   8.8693   27.361   14.153   53.944   11.382   13.205   3.7425   19.379   2.1827 -6.174093 4.332549 
1 1 1   13    8   12 o   19.750   1.9718   55.902   10.522   51.822   15.463   59.421   14.358   18.379   3.1880   20.002   2.6896 -1.623735 4.170986 
1 1 1   13    8   13 o   12.887   2.9937   26.007   10.363   21.058   15.369   30.133   14.032   11.447   3.9913   13.520   3.6880 -2.072942 5.434334 
1 1 1   13    8   14 o   14.092   3.3212   32.511   12.607   27.331   16.959   38.908   18.847   12.448   4.1973   14.608   4.3713 -2.159300 6.060154 
1 1 1   13    8   15 o   18.610   2.4096   52.649   11.991   40.154   17.416   63.911   16.534   14.794   4.1374   19.886   3.1405 -5.092734 5.194324 
1 1 1   13    8   16 o   18.249   2.4870   51.529   12.105   36.235   20.196   60.104   15.122   13.335   4.5796   19.297   2.9559 -5.962389 5.450699 
1 1 1   13    9    0 o   6.6298   4.0327   5.9142   13.702   5.9142   13.702   5.9142   13.702   6.6298   4.0327   6.6298   4.0327 0.000000 0.000000 
1 1 1   13    9    1 o   70.351   1.0944  680.506   21.083  688.912   30.402  672.718   29.263   70.626   1.5720   69.807   1.5308 0.8193741 2.194224 
1 1 1   13    9    2 o   16.610   2.2758   39.149   10.079   38.597   13.876   39.765   14.663   16.225   3.2367   16.435   3.3712 -0.2105255 4.673429 
1 1 1   13    9    3 o   14.579   2.4705   30.529   9.5103   45.832   12.802   11.687   14.206   17.870   2.7005   10.121   3.7934 7.748863 4.656426 
1 1 1   13    9    4 o   24.165   1.3327   80.748   8.7847   61.509   13.033   96.769   11.892   20.855   2.3215   26.393   1.6538 -5.538197 2.850296 
1 1 1   13    9    5 o   28.898   1.3176  115.168   10.427   90.481   19.326  125.305   12.384   25.136   2.8585   30.110   1.5020 -4.974241 3.229089 
1 1 1   13    9    6 o   7.1208   2.8232   4.1659   8.1944   12.321   12.410  -2.1374   10.911   9.8867   3.5727   6.8467   3.0106 3.040016 4.672034 
1 1 1   13    9    7 o   16.485   2.1755   38.723   9.5805   8.3739   19.961   47.807   10.921   10.525   4.3217   18.330   2.2210 -7.805120 4.859011 
1 1 1   13    9    8 o   23.383   1.6579   76.422   10.547   45.640   27.989   81.516   11.386   16.744   5.3806   24.130   1.7347 -7.385593 5.653292 
1 1 1   13    9    9 o   13.818   2.6502   28.184   9.6631   8.4820   18.083   36.058   11.432   10.055   4.1193   15.627   2.7731 -5.571891 4.965783 
1 1 1   13    9   10 o   23.631   1.6140   78.417   10.382   23.447   17.183  110.018   13.029   12.354   4.2247   27.968   1.7094 -15.61402 4.557456 
1 1 1   13    9   11 o   14.958   2.2371   32.725   8.8816   46.410   14.217   23.966   11.374   17.419   3.0939   12.362   3.2988 5.056742 4.522649 
1 1 1   13    9   12 o   14.662   2.3636   32.003   9.1669   24.222   15.598   36.109   11.330   12.111   4.0249   15.363   2.7962 -3.251399 4.900852 
1 1 1   13    9   13 o   20.670   2.0305   62.407   11.345   55.025   16.239   69.445   15.856   18.474   3.3325   21.253   2.7919 -2.778967 4.347443 
1 1 1   13    9   14 o   12.288   3.8619   26.699   14.483   39.923   20.630   13.849   20.337   14.305   4.6218   10.194   4.2880 4.110330 6.304593 
1 1 1   13    9   15 o   9.7864   3.4125   15.891   11.234   26.439   15.045   2.5942   16.891   12.000   3.9511   8.2635   3.6836 3.736881 5.401875 
1 1 1   13   10    0 o   4.6511   3.2158 -10.5912   13.913 -10.5912   13.913 -10.5912   13.913   4.6511   3.2158   4.6511   3.2158 0.000000 0.000000 
1 1 1   13   10    1 o   20.172   1.8432   56.973   10.069   63.733   14.264   50.258   14.216   21.155   2.5113   18.637   2.8782 2.518032 3.819763 
1 1 1   13   10    2 o   29.575   1.2960  120.646   10.496  113.407   14.232  129.279   15.542   28.514   1.8324   30.439   1.8737 -1.924952 2.620815 
1 1 1   13   10    3 o   14.627   2.5306   30.939   9.7692   37.580   12.950   22.166   14.883   15.985   3.0699   12.315   3.9200 3.669884 4.979050 
1 1 1   13   10    4 o   13.062   2.3849   24.701   8.2159   11.694   12.484   34.638   10.912   9.7460   3.5738   15.436   2.6787 -5.690027 4.466296 
1 1 1   13   10    5 o   23.478   1.3734   76.477   8.7914   74.159   13.384   78.236   11.659   22.898   2.1601   23.633   1.8155 -0.7348118 2.821698 
1 1 1   13   10    6 o   29.864   1.3994  123.492   11.444 -11.9409   24.901  159.760   12.886   9.3408   4.2853   33.971   1.3852 -24.63043 4.503617 
1 1 1   13   10    7 o   32.535   1.2823  146.471   11.424   32.644   24.450  178.265   12.922   14.489   5.0353   35.883   1.3151 -21.39427 5.204154 
1 1 1   13   10    8 o   27.929   1.4250  108.683   10.862   46.853   21.733  129.271   12.541   16.907   4.5805   30.472   1.5029 -13.56413 4.820778 
1 1 1   13   10    9 o   41.077   1.1792  233.809   13.264  173.796   23.820  260.779   15.968   34.601   2.5315   43.303   1.3466 -8.701561 2.867416 
1 1 1   13   10   10 o   15.523   2.2235   35.251   9.1814   13.459   16.677   44.730   10.998   10.304   4.0457   17.450   2.3624 -7.146217 4.684925 
1 1 1   13   10   11 o   13.692   2.4217   28.147   8.7479   11.666   14.083   38.503   11.163   9.5198   3.7236   15.939   2.6507 -6.418849 4.570706 
1 1 1   13   10   12 o   12.571   2.8917   25.013   9.7471   32.483   15.690   20.318   12.439   13.651   3.9633   11.083   3.5896 2.568128 5.347214 
1 1 1   13   10   13 o   11.109   3.0619   20.188   9.6137   8.0089   15.451   27.881   12.280   8.8531   3.7315   12.838   3.4285 -3.984674 5.067379 
1 1 1   13   10   14 o   12.225   3.6375   26.445   13.078   24.292   16.780   29.779   20.875   11.480   4.1533   12.264   4.5980 -0.7844982 6.196139 
1 1 1   13   10   15 o   9.5024   3.5037   14.918   12.022   7.7577   14.911   28.220   20.322   8.5273   3.6329   11.846   4.5149 -3.318628 5.795082 
1 1 1   13   11    0 o   6.7129   4.0536   6.7821   13.637   6.7821   13.637   6.7821   13.637   6.7129   4.0536   6.7129   4.0536 0.000000 0.000000 
1 1 1   13   11    1 o   13.791   2.6613   27.877   9.6861   26.949   13.807   28.777   13.592   13.318   3.6689   13.765   3.5742 -0.4475241 5.122070 
1 1 1   13   11    2 o   21.745   1.4448   65.787   8.5543   64.106   13.504   66.913   11.056   21.185   2.3682   21.817   1.8686 -0.6315765 3.016653 
1 1 1   13   11    3 o   32.089   1.2951  142.382   11.380  141.709   16.030  143.066   16.158   31.801   1.8488   31.951   1.8547 -0.1500549 2.618817 
1 1 1   13   11    4 o   18.035   2.0310   46.211   9.8554   42.666   13.511   50.243   14.408   16.960   3.0198   18.467   2.9482 -1.507130 4.220295 
1 1 1   13   11    5 o   6.4677   2.7266   1.2785   8.2528  -4.0265   13.040   4.8227   10.659   7.1752   3.2148   7.8703   3.1856 -0.6950989 4.525842 
1 1 1   13   11    6 o   26.911   1.4747  101.069   10.826   14.100   20.490  134.748   12.751   11.158   4.4515   31.109   1.4968 -19.95053 4.696385 
1 1 1   13   11    7 o   23.474   1.5757   77.368   10.070   58.668   17.096   87.303   12.462   19.613   3.3005   24.831   1.8459 -5.217943 3.781640 
1 1 1   13   11    8 o   22.791   1.5786   73.164   9.7911   25.061   16.526   99.180   12.154   12.493   4.1424   26.502   1.6834 -14.00924 4.471442 
1 1 1   13   11    9 o   24.094   1.4231   81.566   9.3479   45.510   16.237   99.441   11.433   16.782   3.6381   26.534   1.5806 -9.751997 3.966596 
1 1 1   13   11   10 f   8.0940   2.9599   8.8933   8.5548   8.8118   13.749   8.9448   10.928   8.9259   3.6163   8.4886   3.2912 0.4372396 4.889727 
1 1 1   13   11   11 o   7.6929   3.1037   6.2116   10.082  -1.0301   14.080   13.832   14.443   7.4742   3.3452   9.7634   3.7842 -2.289244 5.050803 
1 1 1   13   11   12 o   8.7948   3.1309   11.793   9.4939  -3.6279   14.089   24.619   12.849   7.1038   3.2458   11.926   3.6184 -4.822447 4.860868 
1 1 1   13   11   13 o   10.837   3.3490   20.057   10.943   22.556   15.046   17.251   15.945   11.188   3.9459   10.206   3.9704 0.9829588 5.597651 
1 1 1   13   11   14 o   14.160   3.2050   33.942   12.138   18.889   17.044   49.430   17.289   10.393   4.0871   16.438   3.8996 -6.045416 5.649006 
1 1 1   13   12    0 o   13.257   4.4544   32.394   14.442   32.394   14.442   32.394   14.442   13.257   4.4544   13.257   4.4544 0.000000 0.000000 
1 1 1   13   12    1 o   6.5923   2.8905  -1.2798   9.9952   1.7967   14.232  -4.2739   14.040   8.2493   3.5327   7.4068   3.3260 0.8424597 4.852046 
1 1 1   13   12    2 o   18.252   1.7303   47.035   8.5450   30.124   13.275   59.000   11.166   13.946   3.4856   20.351   2.0308 -6.404543 4.033994 
1 1 1   13   12    3 o   8.0719   3.0684   7.4441   9.3709   12.393   12.563   1.2384   14.069   9.7204   3.5820   8.0990   3.4911 1.621425 5.001881 
1 1 1   13   12    4 o   7.0914   2.9410   2.9138   9.3687   9.8902   12.893  -4.8898   13.637   9.2402   3.5771   7.1760   3.2449 2.064186 4.829598 
1 1 1   13   12    5 o   19.918   1.5686   55.857   8.4862   39.102   12.612   69.717   11.471   16.058   2.9778   22.124   1.9123 -6.065630 3.538969 
1 1 1   13   12    6 o   31.563   1.2597  138.595   10.888   54.531   19.700  175.568   13.065   18.240   4.0497   35.486   1.3445 -17.24588 4.267057 
1 1 1   13   12    7 o   6.4825   2.8494  -0.8019   9.7653  -4.4733   16.378   1.2233   12.164   7.7911   3.5363   7.4687   3.2327 0.3224854 4.791259 
1 1 1   13   12    8 o   7.6302   2.9799   6.5833   9.0083   18.632   16.236   1.2245   10.828   10.953   4.0651   7.0685   3.0548 3.884315 5.084954 
1 1 1   13   12    9 o   23.342   1.7020   78.051   10.804   18.879   18.976  106.433   13.142   11.007   4.3176   27.226   1.7725 -16.21865 4.667260 
1 1 1   13   12   10 o   7.2914   3.0848   3.5830   10.623   6.5764   14.061  -0.3982   16.216   8.4519   3.5608   7.9510   3.5721 0.5008879 5.043718 
1 1 1   13   12   11 o   22.547   1.5762   72.939   9.6707   31.052   14.301  108.228   13.127   13.223   3.7672   27.333   1.7632 -14.10978 4.159433 
1 1 1   13   12   12 o   5.1800   2.4447  -7.6105   9.0602 -10.1785   13.847  -5.6880   11.981   6.3283   2.9973   6.2797   2.9135 0.4867697E-01 4.179983 
1 1 1   13   13    0 o   40.121   1.6664  224.581   18.236  224.581   18.236  224.581   18.236   40.121   1.6664   40.121   1.6664 0.000000 0.000000 
1 1 1   13   13    1 o   18.613   1.9131   49.648   9.6121   28.054   12.872   76.873   14.453   13.271   3.4940   22.972   2.3297 -9.701756 4.199472 
1 1 1   13   13    2 o   8.2496   3.2025   7.7646   10.356   12.523   12.330  -3.6327   19.083   9.5718   3.5445   8.5204   3.8470 1.051376 5.230959 
1 1 1   13   13    3 o   16.968   2.0062   41.640   9.1415   34.094   12.646   49.898   13.230   14.738   3.2233   18.208   2.7381 -3.470468 4.229271 
1 1 1   13   13    4 o   11.522   3.0377   20.813   9.7205   24.028   13.189   16.989   14.382   12.159   3.6609   10.617   3.8445 1.541503 5.308734 
1 1 1   13   13    5 o   25.626   1.3198   92.074   9.2299   89.321   14.271   94.053   12.101   24.784   2.1234   25.686   1.7306 -0.9021454 2.739252 
1 1 1   13   13    6 o   4.3237   2.1308 -17.6182   8.9910 -12.3049   12.571 -23.1817   12.864   5.9521   2.8298   5.2226   2.5689 0.7294898 3.821900 
1 1 1   13   13    7 o   12.956   2.6770   26.090   9.1833   20.773   15.759   28.824   11.300   11.168   4.0274   13.356   3.1422 -2.188278 5.108178 
1 1 1   13   13    8 o   7.9540   3.0787   8.0787   9.5497  -0.2629   15.670   13.007   12.045   7.8617   3.5231   9.3289   3.4936 -1.467162 4.961607 
1 1 1   13   13    9 f   19.324   2.0569   55.304   10.717   11.170   18.259   78.500   13.237   9.5913   4.0502   22.995   2.1263 -13.40330 4.574418 
1 1 1   13   13   10 o   11.612   2.9412   22.134   9.3629   33.454   15.678   15.859   11.673   13.466   3.9769   9.7914   3.4731 3.674290 5.280014 
1 1 1   13   13   11 o   9.7423   3.0973   15.820   9.2936   14.282   14.749   16.833   11.969   9.5513   3.7873   9.9453   3.5180 -0.3939819 5.169150 
1 1 1   13   14    0 o   3.6508   2.6303 -21.5491   13.126 -21.5491   13.126 -21.5491   13.126   3.6508   2.6303   3.6508   2.6303 0.000000 0.000000 
1 1 1   13   14    1 o   17.383   2.2315   44.731   10.377   52.787   13.891   34.560   15.609   18.509   2.8308   14.209   3.8953 4.299848 4.815257 
1 1 1   13   14    2 o   6.5045   2.9644  -4.2409   11.659  -6.9866   15.425  -0.5815   17.807   7.1923   3.3259   8.3551   3.7491 -1.162837 5.011717 
1 1 1   13   14    3 o   12.918   2.5999   25.750   8.8785   41.613   13.930   14.897   11.522   16.035   3.2830   9.7914   3.4530 6.243275 4.764589 
1 1 1   13   14    4 o   7.7622   3.0371   7.2225   9.3712   6.0902   12.763   8.5472   13.804   8.1911   3.4178   8.7689   3.5965 -0.5778255 4.961488 
1 1 1   13   14    5 o   6.4628   2.8324   0.1869   9.5871  -3.1933   13.666   3.4623   13.453   7.0898   3.2228   7.8898   3.4073 -0.7999744 4.689998 
1 1 1   13   14    6 o   7.2470   2.8832   5.8339   8.5741   6.1564   12.951   5.5822   11.441   8.1634   3.4272   7.7872   3.2415 0.3762569 4.717273 
1 1 1   13   14    7 o   18.540   2.2334   51.716   11.111   16.972   17.485   75.245   14.389   10.316   4.1132   22.253   2.3993 -11.93624 4.761860 
1 1 1   13   14    8 o   8.9613   3.1242   12.747   9.4162   5.3329   15.103   17.461   12.043   8.3067   3.5988   10.154   3.5336 -1.847301 5.043601 
1 1 1   13   14    9 o   10.371   3.2256   18.268   10.133   22.600   17.719   16.162   12.353   11.056   4.2154   9.8086   3.5613 1.246920 5.518340 
1 1 1   13   15    0 o   3.5599   2.5831 -25.9663   13.830 -25.9663   13.830 -25.9663   13.830   3.5599   2.5831   3.5599   2.5831 0.000000 0.000000 
1 1 1   13   15    1 o   6.9296   2.9561   2.6954   9.8961   9.2408   14.107  -3.6457   13.886   8.8146   3.6279   7.0462   3.2205 1.768403 4.851129 
1 1 1   13   15    2 o   15.483   2.4875   36.923   10.190   36.907   14.578   36.938   14.248   14.571   3.6588   14.645   3.5824 -0.7365322E-01 5.120542 
1 1 1   13   15    3 o   17.683   2.0131   46.326   9.5744   54.042   15.691   41.748   12.085   18.069   3.2925   16.213   2.8248 1.855980 4.338207 
1 1 1   13   15    4 o   5.7426   2.6300  -3.8347   9.3247 -22.6935   15.490   6.8829   11.678   5.8554   2.8677   7.9909   3.2962 -2.135513 4.369028 
1 1 1   13   15    5 o   5.8062   2.7059  -6.2853   10.519  -6.3998   16.752  -6.2108   13.515   7.3320   3.4162   6.6297   3.0821 0.7023125 4.601124 
1 1 1   13   15    6 o   13.155   2.7103   27.712   9.4383   20.992   15.057   32.062   12.114   10.817   3.9312   13.739   3.2676 -2.921631 5.111849 
1 1 1   13   15    7 o   7.5073   3.0042   6.8202   9.3620  -7.1139   14.964   15.782   12.001   6.8354   3.1993   9.6950   3.5117 -2.859532 4.750546 
1 1 1   13   16    0 o   4.7047   3.2370  -6.7447   13.695  -6.7447   13.695  -6.7447   13.695   4.7047   3.2370   4.7047   3.2370 0.000000 0.000000 
1 1 1   13   16    1 o   14.060   2.6688   31.505   9.8997   42.173   14.156   21.294   13.850   15.673   3.3964   10.879   3.7892 4.794695 5.088526 
1 1 1   13   16    2 o   13.208   2.8146   28.340   9.8685   29.888   14.143   26.871   13.776   12.770   3.7788   12.121   3.7595 0.6490946 5.330424 
1 1 1   14    0    0 o   40.873   2.4167  232.158   26.832  232.158   26.832  232.158   26.832   40.873   2.4167   40.873   2.4167 0.000000 0.000000 
1 1 1   14    0    1 o   37.298   2.3433  194.352   23.717  194.352   23.717  194.352   23.717   37.298   2.3433   37.298   2.3433 0.000000 0.000000 
1 1 1   14    0    2 o   9.8600   4.6447   20.081   14.135   20.081   14.135   20.081   14.135   9.8600   4.6447   9.8600   4.6447 0.000000 0.000000 
1 1 1   14    0    3 o   77.842   1.5172  833.747   32.313  833.747   32.313  833.747   32.313   77.842   1.5172   77.842   1.5172 0.000000 0.000000 
1 1 1   14    0    4 o   85.451   1.6095  1005.28   37.632  1005.28   37.632  1005.28   37.632   85.451   1.6095   85.451   1.6095 0.000000 0.000000 
1 1 1   14    0    5 f   45.789   1.3039  288.658   16.320  288.658   16.320  288.658   16.320   45.789   1.3039   45.789   1.3039 0.000000 0.000000 
1 1 1   14    0    6 o   16.703   2.7770   41.718   11.646   41.718   11.646   41.718   11.646   16.703   2.7770   16.703   2.7770 0.000000 0.000000 
1 1 1   14    0    7 o   5.0206   3.2838  -1.0877   11.153  -1.0877   11.153  -1.0877   11.153   5.0206   3.2838   5.0206   3.2838 0.000000 0.000000 
1 1 1   14    0    8 o   29.454   1.6094  120.582   12.892  120.582   12.892  120.582   12.892   29.454   1.6094   29.454   1.6094 0.000000 0.000000 
1 1 1   14    0    9 o   12.414   3.8572   27.079   11.487   27.079   11.487   27.079   11.487   12.414   3.8572   12.414   3.8572 0.000000 0.000000 
1 1 1   14    0   10 o   11.470   5.8600   29.630   23.240   29.630   23.240   29.630   23.240   11.470   5.8600   11.470   5.8600 0.000000 0.000000 
1 1 1   14    0   11 o   22.701   2.5794   75.020   15.501   75.020   15.501   75.020   15.501   22.701   2.5794   22.701   2.5794 0.000000 0.000000 
1 1 1   14    0   12 o   39.495   1.7614  218.083   18.963  218.083   18.963  218.083   18.963   39.495   1.7614   39.495   1.7614 0.000000 0.000000 
1 1 1   14    0   13 o   15.576   4.3582   43.024   16.086   43.024   16.086   43.024   16.086   15.576   4.3582   15.576   4.3582 0.000000 0.000000 
1 1 1   14    0   14 o   7.0959   4.2995   9.6139   15.446   9.6139   15.446   9.6139   15.446   7.0959   4.2995   7.0959   4.2995 0.000000 0.000000 
1 1 1   14    0   15 o   5.1216   3.5605 -11.0318   17.668 -11.0318   17.668 -11.0318   17.668   5.1216   3.5605   5.1216   3.5605 0.000000 0.000000 
1 1 1   14    0   16 o   4.7705   3.3108  -9.1212   15.108  -9.1212   15.108  -9.1212   15.108   4.7705   3.3108   4.7705   3.3108 0.000000 0.000000 
1 1 1   14    1    0 o   52.519   1.5365  380.032   22.054  380.032   22.054  380.032   22.054   52.519   1.5365   52.519   1.5365 0.000000 0.000000 
1 1 1   14    1    1 o   31.055   1.3160  132.773   11.191  120.667   15.450  146.136   16.231   29.452   1.9263   32.446   1.8344 -2.993807 2.660028 
1 1 1   14    1    2 o   25.115   1.5243   87.328   10.433   90.721   14.724   83.906   14.787   25.469   2.1308   24.461   2.2321 1.007282 3.085821 
1 1 1   14    1    3 o   47.638   1.1071  311.998   14.443  285.954   20.989  335.421   19.904   45.485   1.6851   49.317   1.4739 -3.831917 2.238746 
1 1 1   14    1    4 o   48.335   1.0591  321.126   14.018  327.658   26.463  318.579   16.528   48.586   1.9890   48.105   1.2547 0.4805260 2.351716 
1 1 1   14    1    5 o   57.109   0.9517  448.041   14.884  438.982   23.527  454.085   19.219   56.382   1.5238   57.431   1.2220 -1.048958 1.953316 
1 1 1   14    1    6 o   56.470   0.8899  437.998   13.760  413.221   19.736  461.434   19.195   54.748   1.3165   57.884   1.2110 -3.136379 1.788755 
1 1 1   14    1    7 o   7.3526   2.8364   5.2552   8.0842   5.7605   11.695   4.7928   11.187   8.4164   3.3613   8.1040   3.2695 0.3123884 4.689131 
1 1 1   14    1    8 o   12.994   2.3513   24.420   8.0583   27.492   11.571   21.528   11.229   13.583   3.1689   12.021   3.3074 1.562296 4.580530 
1 1 1   14    1    9 o   44.042   1.1809  267.700   14.242  156.488   31.533  296.201   15.963   32.463   3.6082   46.302   1.2590 -13.83875 3.821536 
1 1 1   14    1   10 f   27.269   2.2861  106.036   16.914  114.082   23.413   97.253   24.460   27.828   3.1266   25.371   3.6236 2.456503 4.786056 
1 1 1   14    1   11 o   11.111   3.2968   18.833   10.754   25.433   15.817   13.159   14.666   12.722   4.0403   10.154   3.8437 2.567998 5.576564 
1 1 1   14    1   12 o   13.261   3.0823   27.246   10.980   16.458   15.512   38.081   15.545   10.729   3.9751   15.377   3.7300 -4.648757 5.451043 
1 1 1   14    1   13 o   13.830   2.8588   29.650   10.469   36.842   15.123   23.032   14.506   14.912   3.7167   11.818   3.8792 3.094104 5.372371 
1 1 1   14    1   14 o   11.267   3.3893   21.042   11.309   26.614   15.262   14.258   16.840   12.328   3.9745   10.051   4.0266 2.277759 5.657728 
1 1 1   14    1   15 o   6.8246   3.0467  -0.6735   11.600  -6.9184   17.713   4.0168   15.350   7.5212   3.5072   8.2218   3.5941 -0.7005925 5.021788 
1 1 1   14    1   16 o   12.975   3.1429   28.458   11.049   42.590   15.841   15.067   15.419   15.314   3.7963   9.6959   3.8636 5.618588 5.416569 
1 1 1   14    2    0 o   36.595   1.6844  185.364   16.798  185.364   16.798  185.364   16.798   36.595   1.6844   36.595   1.6844 0.000000 0.000000 
1 1 1   14    2    1 o   40.875   1.1344  229.722   12.698  210.314   17.098  253.589   18.961   39.030   1.5998   42.854   1.6158 -3.824249 2.273770 
1 1 1   14    2    2 o   13.774   2.7192   27.488   9.8926   31.778   14.110   23.340   13.874   14.650   3.5536   12.643   3.7430 2.006871 5.161220 
1 1 1   14    2    3 o   31.135   1.2772  133.472   10.890  131.582   15.493  135.318   15.309   30.767   1.8474   31.214   1.7987 -0.4470882 2.578408 
1 1 1   14    2    4 o   39.734   1.0071  216.945   10.958  221.359   17.521  214.110   14.043   40.026   1.5986   39.426   1.3008 0.6004410 2.060931 
1 1 1   14    2    5 f   19.559   1.5584   53.186   8.2775   67.313   11.746   39.250   11.666   21.925   1.9777   16.516   2.6706 5.409035 3.323195 
1 1 1   14    2    6 o   13.431   2.2844   25.882   8.1005   31.104   11.883   21.347   11.072   14.538   3.0805   12.023   3.2745 2.515174 4.495764 
1 1 1   14    2    7 o   34.377   1.0095  162.548   9.5030  173.437   14.043  153.349   12.907   35.425   1.4476   33.317   1.4148 2.107651 2.024149 
1 1 1   14    2    8 o   8.0939   2.9253   8.0352   8.3208   20.067   12.919  -0.4949   10.878   11.682   3.6435   7.0691   3.0584 4.613166 4.756945 
1 1 1   14    2    9 o   23.733   1.7816   78.989   11.494   49.195   30.381   83.966   12.417   17.249   5.6116   24.445   1.8691 -7.195782 5.914750 
1 1 1   14    2   10 o   22.335   1.9994   70.709   12.099   71.264   16.965   70.135   17.261   22.033   2.8807   21.813   2.9668 0.2209072 4.135276 
1 1 1   14    2   11 o   13.055   3.4882   26.648   12.707   23.103   17.343   30.757   18.672   12.256   4.2418   13.768   4.3917 -1.512066 6.105684 
1 1 1   14    2   12 o   10.737   3.2636   17.907   10.445   26.189   15.166   10.432   14.408   12.677   3.9466   9.4675   3.7466 3.209601 5.441776 
1 1 1   14    2   13 o   11.079   3.2321   19.650   10.412   30.083   15.037   10.038   14.433   13.331   3.8827   9.2460   3.7194 4.084722 5.376716 
1 1 1   14    2   14 o   22.169   2.2192   72.997   13.291   97.773   16.493   27.114   22.445   25.530   2.3869   12.196   4.7202 13.33379 5.289373 
1 1 1   14    2   15 o   8.6620   3.4942   9.7432   12.776   26.663   17.577  -9.2103   18.603   11.918   4.2582   7.4861   3.5239 4.432109 5.527202 
1 1 1   14    2   16 f   8.6007   3.3434   10.915   11.300   8.9970   15.205   13.281   16.888   8.7213   3.6901   9.5025   3.9455 -0.7812004 5.402184 
1 1 1   14    3    0 o   42.491   2.0467  250.659   23.688  250.659   23.688  250.659   23.688   42.491   2.0467   42.491   2.0467 0.000000 0.000000 
1 1 1   14    3    1 o   36.088   1.3625  179.447   13.465  174.225   16.592  189.522   23.045   35.496   1.7070   36.807   2.2979 -1.311142 2.862558 
1 1 1   14    3    2 o   30.031   1.4871  124.425   12.229  128.936   15.413  116.760   20.091   30.451   1.8573   28.765   2.5780 1.685726 3.177375 
1 1 1   14    3    3 o   13.006   3.2149   24.930   11.385   17.120   14.170   39.153   19.122   11.237   3.8364   16.103   4.2677 -4.865629 5.738597 
1 1 1   14    3    4 o   12.417   2.8976   22.604   9.6725   29.671   13.400   14.918   13.976   14.134   3.4845   10.733   3.8010 3.400842 5.156501 
1 1 1   14    3    5 o   32.581   1.2856  146.299   11.470  152.712   16.332  140.058   16.112   33.134   1.8069   31.711   1.8636 1.422592 2.595741 
1 1 1   14    3    6 o   17.515   1.9078   43.138   9.0018   50.488   11.785   32.842   13.948   18.850   2.3329   14.825   3.4931 4.024841 4.200522 
1 1 1   14    3    7 o   29.485   1.1987  119.847   9.6784  132.604   13.214  105.081   14.216   30.902   1.5667   27.403   1.9063 3.498039 2.467468 
1 1 1   14    3    8 o   8.0227   2.9600   7.5872   8.5832   16.945   13.596   1.3868   11.067   10.992   3.7580   7.4193   3.1442 3.572376 4.899843 
1 1 1   14    3    9 o   28.444   1.4081  112.158   10.968  110.825   21.258  112.641   12.803   27.630   2.8506   28.394   1.6538 -0.7639046 3.295647 
1 1 1   14    3   10 o   5.6652   2.5826  -4.8148   8.8562   31.542   14.905 -24.6534   11.010   14.187   3.7717   4.6361   2.2981 9.550953 4.416683 
1 1 1   14    3   11 o   8.1478   3.3481   5.0958   11.991   7.8056   16.072   1.6943   18.007   9.4161   3.8735   8.9711   3.9080 0.4450283 5.502422 
1 1 1   14    3   12 o   9.6508   3.2761   13.906   10.332   25.672   15.017   3.3280   14.238   12.505   3.9327   8.2727   3.5379 4.232505 5.289896 
1 1 1   14    3   13 o   8.7637   3.3084   10.428   10.846   20.110   16.404   2.9071   14.457   11.153   4.0956   8.1292   3.5215 3.024179 5.401371 
1 1 1   14    3   14 o   11.152   3.7920   21.371   13.843   23.268   22.757   20.256   17.441   11.570   4.6647   10.961   4.1814 0.6086731 6.264489 
1 1 1   14    3   15 o   7.8792   3.3015   6.0491   11.981   10.781   17.428   1.8090   16.497   9.3341   3.9501   8.1043   3.6246 1.229727 5.361044 
1 1 1   14    3   16 o   13.369   3.1754   30.443   11.453   42.978   15.535   15.521   16.950   15.408   3.7234   9.8028   3.9988 5.605292 5.463949 
1 1 1   14    4    0 o   17.182   4.3349   48.390   17.638   48.390   17.638   48.390   17.638   17.182   4.3349   17.182   4.3349 0.000000 0.000000 
1 1 1   14    4    1 o   19.293   2.5401   52.980   13.093   66.722   17.658   36.196   19.515   21.512   3.0859   15.493   4.3961 6.019003 5.371128 
1 1 1   14    4    2 o   12.887   3.5147   24.561   12.746   15.861   16.485   37.493   20.098   11.280   4.1112   15.739   4.4597 -4.459303 6.065550 
1 1 1   14    4    3 o   15.963   2.5980   36.632   10.966   26.857   13.486   55.709   18.839   13.441   3.5944   19.397   3.6815 -5.955990 5.145156 
1 1 1   14    4    4 o   44.367   1.0769  270.776   13.083  273.390   18.558  268.192   18.448   44.478   1.5237   44.051   1.5293 0.4263458 2.158780 
1 1 1   14    4    5 o   5.2876   2.4878  -9.5361   9.2532  -3.4990   12.855 -16.0282   13.330   7.2862   3.2327   6.1032   2.9051 1.183083 4.346310 
1 1 1   14    4    6 o   20.883   1.6141   60.778   9.1586   51.140   11.899   74.790   14.346   18.954   2.3424   22.981   2.3111 -4.027243 3.290555 
1 1 1   14    4    7 o   44.913   1.1156  277.994   13.721  286.889   20.221  270.404   18.679   45.461   1.6243   44.165   1.5445 1.296543 2.241424 
1 1 1   14    4    8 o   31.226   1.1783  134.603   10.076  120.148   15.609  144.929   13.192   29.230   1.9614   32.323   1.4905 -3.092457 2.463457 
1 1 1   14    4    9 o   9.0633   3.0405   11.492   8.8986   30.119   14.986   1.3483   11.059   13.911   3.8182   7.3605   3.1321 6.550805 4.938504 
1 1 1   14    4   10 o   15.642   2.1171   35.278   8.8351   44.713   14.046   29.101   11.365   17.203   3.0955   13.816   3.0824 3.387645 4.368408 
1 1 1   14    4   11 o   15.942   2.8621   38.468   12.035   62.890   16.435   10.226   17.673   20.364   3.0404   9.9806   4.0787 10.38338 5.087183 
1 1 1   14    4   12 o   12.839   3.2145   26.271   11.276   39.053   15.022   9.7716   17.067   15.463   3.6127   9.6426   3.9819 5.820715 5.376531 
1 1 1   14    4   13 o   14.325   2.8478   32.172   10.777   47.778   15.454   17.394   15.038   17.095   3.4207   10.506   3.9096 6.589490 5.194832 
1 1 1   14    4   14 o   12.377   3.3318   25.867   11.542   32.715   15.701   17.813   17.026   13.424   3.9836   10.461   4.0936 2.962703 5.711929 
1 1 1   14    4   15 o   10.069   3.5116   17.316   11.897   22.991   17.293   12.217   16.392   11.137   4.1831   9.3748   3.8893 1.762197 5.711828 
1 1 1   14    4   16 o   13.468   3.1524   30.926   11.421   30.073   15.416   31.965   17.003   12.485   3.9912   12.652   4.2021 -0.1675501 5.795471 
1 1 1   14    5    0 o   43.140   1.6062  257.156   18.914  257.156   18.914  257.156   18.914   43.140   1.6062   43.140   1.6062 0.000000 0.000000 
1 1 1   14    5    1 o   14.407   2.7207   30.132   10.340   17.533   15.166   41.076   14.135   11.410   3.9656   16.734   3.2013 -5.323770 5.096501 
1 1 1   14    5    2 o   10.452   3.2548   15.608   10.314   4.3655   14.962   25.789   14.238   8.9969   3.7228   13.168   3.7615 -4.171163 5.292221 
1 1 1   14    5    3 o   5.3832   2.5033  -7.6366   8.9246  -6.2420   14.830  -8.4284   11.175   7.5436   3.4000   6.1298   2.8332 1.413854 4.425748 
1 1 1   14    5    4 o   12.586   2.4841   23.000   8.2577   11.544   12.347   32.271   11.107   9.7226   3.5559   14.868   2.8315 -5.145492 4.545510 
1 1 1   14    5    5 o   22.475   1.4139   70.081   8.6577   73.282   13.287   67.720   11.413   22.792   2.1545   21.971   1.9162 0.8209114 2.883337 
1 1 1   14    5    6 o   16.296   1.9236   37.545   8.4187   49.255   13.116   29.341   10.979   18.456   2.6731   14.086   2.9412 4.370046 3.974394 
1 1 1   14    5    7 o   29.583   1.3702  121.134   11.100  122.282   15.453  119.909   15.955   29.511   1.9227   29.189   2.0083 0.3217831 2.780288 
1 1 1   14    5    8 o   9.9995   3.3417   14.235   10.748   34.312   15.829  -2.9411   14.641   14.845   3.8585   7.7676   3.4480 7.077179 5.174594 
1 1 1   14    5    9 o   8.7000   3.2055   9.5117   10.060  -1.3751   14.322   20.116   14.135   7.8263   3.4451   11.560   3.8309 -3.733311 5.152145 
1 1 1   14    5   10 o   20.555   1.5768   59.487   8.8076   57.270   13.906   60.972   11.381   19.688   2.6464   20.623   2.0422 -0.9344082 3.342764 
1 1 1   14    5   11 o   18.365   1.9791   48.655   9.7957   52.039   15.149   46.224   12.842   18.351   3.1267   17.485   2.7747 0.8666687 4.180352 
1 1 1   14    5   12 o   9.2532   3.3126   12.631   10.642   19.620   16.166   7.2846   14.138   11.075   4.0660   8.7219   3.6147 2.353076 5.440449 
1 1 1   14    5   13 o   8.0311   3.2614   7.0191   11.211   4.1338   15.181   10.481   16.628   8.3097   3.6041   9.4049   3.9108 -1.095145 5.318253 
1 1 1   14    5   14 o   9.0346   3.3637   12.528   11.134   14.368   15.322   10.470   16.206   9.7117   3.8572   9.1919   3.8448 0.5198069 5.446150 
1 1 1   14    5   15 o   11.161   3.3097   21.617   10.841   15.239   15.603   27.569   15.073   9.7213   3.8825   12.088   3.9536 -2.366905 5.541250 
1 1 1   14    6    0 o   6.1120   3.8006   3.8611   12.815   3.8611   12.815   3.8611   12.815   6.1120   3.8006   6.1120   3.8006 0.000000 0.000000 
1 1 1   14    6    1 o   34.789   1.1699  166.712   11.145  165.032   15.543  168.489   15.990   34.513   1.6446   34.865   1.6748 -0.3520393 2.347254 
1 1 1   14    6    2 o   48.451   1.1681  323.391   15.499  330.701   25.391  319.050   19.566   48.751   1.9020   48.034   1.4876 0.7167892 2.414646 
1 1 1   14    6    3 o   13.402   2.4965   26.059   8.8246   9.1220   14.454   36.123   11.142   9.6271   3.7705   15.783   2.6735 -6.156219 4.622105 
1 1 1   14    6    4 o   24.325   1.3929   82.064   9.2398   75.369   15.072   86.095   11.695   23.008   2.4289   24.833   1.7307 -1.824583 2.982414 
1 1 1   14    6    5 o   16.917   1.8605   40.374   8.4764   49.996   13.326   33.835   10.985   18.575   2.6989   15.207   2.7387 3.368363 3.845030 
1 1 1   14    6    6 o   27.874   1.2024  107.292   9.1777   91.028   14.165  119.060   12.049   25.391   2.0548   29.254   1.5092 -3.862730 2.549508 
1 1 1   14    6    7 o   10.407   2.7617   16.125   8.0004   18.683   11.464   13.698   11.170   11.177   3.4234   9.9113   3.4057 1.265338 4.828928 
1 1 1   14    6    8 o   15.062   2.1321   32.693   8.5480   25.928   14.001   36.713   10.793   12.898   3.7438   15.805   2.5829 -2.907331 4.548316 
1 1 1   14    6    9 o   13.696   2.8057   28.312   10.169   35.310   14.698   21.887   14.083   14.941   3.6286   11.854   3.8174 3.086905 5.266818 
1 1 1   14    6   10 o   17.469   2.2006   44.491   10.293   44.250   14.756   44.719   14.366   16.809   3.3236   16.969   3.2092 -0.1606827 4.620074 
1 1 1   14    6   11 o   8.9295   3.0831   11.748   9.1596   16.257   13.472   7.8707   12.491   10.326   3.7237   8.5724   3.4560 1.753562 5.080374 
1 1 1   14    6   12 o   22.397   1.8550   72.603   11.274   67.220   16.982   76.844   15.076   20.597   3.1075   22.584   2.4785 -1.986883 3.974872 
1 1 1   14    6   13 o   8.2138   3.3495   7.7129   11.887  -1.1905   15.590   20.079   18.373   7.6772   3.4707   10.875   4.2533 -3.197649 5.489645 
1 1 1   14    6   14 o   11.701   3.2060   23.290   10.577   21.765   15.554   24.602   14.426   10.952   3.9932   11.585   3.8714 -0.6335783 5.561747 
1 1 1   14    6   15 o   11.275   3.2782   22.181   10.727   25.588   15.561   19.095   14.809   11.545   4.0167   10.309   3.8712 1.236336 5.578522 
1 1 1   14    7    0 o   31.251   1.6891  135.847   14.358  135.847   14.358  135.847   14.358   31.251   1.6891   31.251   1.6891 0.000000 0.000000 
1 1 1   14    7    1 o   15.507   2.2536   34.429   9.2893   34.714   12.805   34.111   13.496   15.282   3.1641   15.085   3.3540 0.1967144 4.610970 
1 1 1   14    7    2 o   16.767   2.1421   40.014   9.6102   42.809   13.163   36.823   14.063   17.093   2.9169   15.666   3.3777 1.427072 4.462872 
1 1 1   14    7    3 o   24.172   1.4311   81.177   9.4304   57.077   15.500   95.340   11.883   19.760   2.9554   26.136   1.6690 -6.376383 3.394064 
1 1 1   14    7    4 o   24.493   1.4142   83.361   9.4448   71.377   15.353   90.657   11.980   22.279   2.5632   25.455   1.7289 -3.175497 3.091797 
1 1 1   14    7    5 o   22.323   1.4525   69.417   8.8306   70.770   13.625   68.438   11.595   22.274   2.2655   22.017   1.9432 0.2564964 2.984692 
1 1 1   14    7    6 o   8.6601   2.9122   10.407   8.1636  -8.2018   12.360   24.804   10.872   6.4733   2.9877   12.794   3.1292 -6.320489 4.326505 
1 1 1   14    7    7 o   25.479   1.2414   89.953   8.6614   73.652   13.074  102.701   11.562   22.706   2.1276   27.087   1.5655 -4.380863 2.641505 
1 1 1   14    7    8 o   11.548   2.7138   20.170   8.4363   16.966   13.772   22.095   10.673   10.750   3.7766   11.948   3.1986 -1.197742 4.949165 
1 1 1   14    7    9 f   23.670   1.3998   78.545   9.0328   63.080   14.314   88.779   11.644   20.624   2.5918   25.030   1.7090 -4.406839 3.104555 
1 1 1   14    7   10 o   9.3199   3.2470   12.872   10.170   29.933   14.815  -2.3339   13.986   13.369   3.8425   7.4135   3.3249 5.955681 5.081313 
1 1 1   14    7   11 o   10.279   3.2519   16.959   10.254   15.657   14.876   18.137   14.153   10.183   3.8673   10.622   3.8183 -0.4388380 5.434691 
1 1 1   14    7   12 o   7.2791   3.1727   1.8336   11.884   10.144   16.822  -6.4454   16.790   9.3171   3.9084   7.4229   3.4457 1.894178 5.210432 
1 1 1   14    7   13 o   9.4759   3.3082   14.671   10.560  -1.9555   15.564   28.854   14.375   7.5221   3.4270   12.601   3.8281 -5.078422 5.137975 
1 1 1   14    7   14 o   11.435   3.2364   22.571   10.591   32.871   15.654   13.875   14.383   13.132   3.9960   9.3962   3.7355 3.735606 5.470145 
1 1 1   14    8    0 o   56.059   1.5399  434.359   23.599  434.359   23.599  434.359   23.599   56.059   1.5399   56.059   1.5399 0.000000 0.000000 
1 1 1   14    8    1 o   17.677   2.0089   44.362   9.5516   41.614   13.008   47.578   14.071   16.786   2.9368   17.964   2.9638 -1.177385 4.172423 
1 1 1   14    8    2 f   20.028   1.8602   56.569   10.086   51.392   13.684   62.726   14.923   18.764   2.7442   20.788   2.6843 -2.024023 3.838746 
1 1 1   14    8    3 o   36.091   1.2535  180.193   12.388   40.580   24.707  227.076   14.318   15.785   5.0535   40.503   1.2909 -24.71720 5.215796 
1 1 1   14    8    4 o   6.9701   2.8485   3.1969   8.6206  -0.1051   13.772   5.3244   11.054   7.8846   3.4262   8.0580   3.2503 -0.1734486 4.722620 
1 1 1   14    8    5 o   9.8567   2.9260   14.461   8.4696   15.509   13.645   13.804   10.803   10.533   3.7530   9.8435   3.3498 0.6893044 5.030540 
1 1 1   14    8    6 o   12.010   2.5550   21.532   8.1448   25.626   12.318   18.353   10.857   12.822   3.4379   10.967   3.3257 1.854888 4.783264 
1 1 1   14    8    7 o   5.5449   2.5019  -3.2813   8.0565   15.275   12.318 -17.1514   10.650   10.229   3.5730   5.0034   2.4345 5.226076 4.323514 
1 1 1   14    8    8 o   4.9237   2.3326  -8.8426   8.3952 -12.8919   13.591  -6.3444   10.675   6.2667   2.9685   6.0329   2.7817 0.2337255 4.068178 
1 1 1   14    8    9 o   10.099   2.9449   15.919   8.6457  -6.6269   13.966   29.928   11.009   6.9184   3.1870   13.817   2.9960 -6.898303 4.374125 
1 1 1   14    8   10 o   6.9448   2.8659   3.8109   8.8323  -1.0194   13.900   7.0820   11.438   7.4638   3.3333   8.1513   3.2998 -0.6874981 4.690414 
1 1 1   14    8   11 o   5.8383   2.6996  -5.4671   10.161 -23.4880   14.288   12.973   14.454   5.5373   2.7205   9.5097   3.7560 -3.972332 4.637742 
1 1 1   14    8   12 o   17.191   3.0782   48.235   13.959   47.880   19.473   48.610   20.019   15.789   4.3602   15.815   4.4403 -0.2544594E-01 6.223158 
1 1 1   14    8   13 o   9.3581   3.1954   14.518   9.8303   6.4504   15.529   19.913   12.698   8.4282   3.6503   10.594   3.6317 -2.166171 5.149199 
1 1 1   14    9    0 o   7.2980   4.1377   10.611   12.784   10.611   12.784   10.611   12.784   7.2980   4.1377   7.2980   4.1377 0.000000 0.000000 
1 1 1   14    9    1 o   20.945   1.6564   61.680   9.4229   63.953   13.240   59.347   13.413   21.067   2.3344   20.224   2.4735 0.8421593 3.401157 
1 1 1   14    9    2 o   9.0894   3.0877   11.612   9.1781   4.7722   12.872   18.687   13.091   8.3562   3.4549   11.172   3.6860 -2.815682 5.052018 
1 1 1   14    9    3 o   20.420   1.6961   58.813   9.3985   51.881   12.846   66.798   13.787   18.822   2.5586   21.479   2.3843 -2.656111 3.497334 
1 1 1   14    9    4 o   28.028   1.1934  108.907   9.1592  114.902   14.449  104.880   11.842   28.482   1.8629   27.332   1.5891 1.150539 2.448601 
1 1 1   14    9    5 o   26.024   1.5696   95.204   11.133  -6.4598   20.475  137.877   13.265   8.6042   3.9241   31.382   1.5437 -22.77748 4.216795 
1 1 1   14    9    6 o   9.9899   2.8323   15.264   8.1037   5.4681   12.399   22.568   10.707   8.2356   3.3968   11.991   3.2009 -3.755124 4.667311 
1 1 1   14    9    7 o   16.299   1.8839   38.328   8.2538   22.579   12.701   49.840   10.859   11.805   3.6011   18.457   2.1913 -6.651734 4.215432 
1 1 1   14    9    8 o   11.912   2.8315   22.217   9.1002   31.463   16.849   18.409   10.813   13.439   4.1559   10.712   3.3320 2.726501 5.326734 
1 1 1   14    9    9 o   5.7058   2.6128  -4.2977   9.1970 -11.7093   14.345   0.8750   11.984   6.4514   3.0542   7.2338   3.1686 -0.7823858 4.400953 
1 1 1   14    9   10 o   8.4386   3.1517   10.206   9.7900   10.865   14.683   9.6784   13.136   9.1621   3.7279   8.7670   3.5407 0.3950310 5.141392 
1 1 1   14    9   11 o   15.284   2.6184   36.646   10.564   35.173   16.187   37.739   13.943   13.763   4.0341   14.797   3.4965 -1.034645 5.338516 
1 1 1   14    9   12 f   19.834   2.0893   59.045   11.177   59.166   17.644   58.963   14.445   18.352   3.6394   19.150   2.8407 -0.7982292 4.616830 
1 1 1   14    9   13 o   13.652   3.1311   31.686   11.456   39.528   17.610   25.934   15.083   14.085   4.2277   11.635   3.9583 2.450433 5.791500 
1 1 1   14   10    0 o   6.9138   4.0282   9.1724   12.612   9.1724   12.612   9.1724   12.612   6.9138   4.0282   6.9138   4.0282 0.000000 0.000000 
1 1 1   14   10    1 o   21.787   1.8732   67.644   11.067   32.893   20.394   82.150   13.176   13.987   4.6000   23.946   2.0284 -9.958892 5.027358 
1 1 1   14   10    2 f   16.728   2.1927   40.715   9.8023   40.884   15.175   40.594   12.840   16.059   3.5457   16.317   2.9838 -0.2573299 4.634061 
1 1 1   14   10    3 o   19.174   1.6239   52.061   8.4458   40.825   12.752   60.841   11.272   16.344   2.9581   20.554   2.0293 -4.209629 3.587272 
1 1 1   14   10    4 o   8.0786   2.8715   8.9322   7.9830   10.105   12.113   8.0314   10.614   9.0062   3.4726   8.3257   3.2393 0.6805582 4.748871 
1 1 1   14   10    5 f   9.0210   2.9510   12.220   8.3975   12.588   13.729   12.000   10.615   9.6574   3.7037   9.1650   3.3053 0.4924440 4.964165 
1 1 1   14   10    6 o   20.244   1.5506   58.183   8.5305   66.984   13.164   51.812   11.200   21.300   2.2932   18.749   2.2249 2.550312 3.195120 
1 1 1   14   10    7 o   16.755   1.9140   40.887   8.6241   29.786   13.154   49.256   11.421   13.348   3.5407   18.146   2.3539 -4.798003 4.251791 
1 1 1   14   10    8 o   7.3596   3.0106   5.1594   9.6411   11.689   16.236   1.6035   11.982   9.5329   3.9041   7.2997   3.1836 2.233216 5.037612 
1 1 1   14   10    9 o   12.789   2.9501   26.546   10.121   16.595   16.466   32.588   12.830   10.217   4.0173   13.863   3.4046 -3.645822 5.265977 
1 1 1   14   10   10 o   13.441   3.2244   30.474   11.715   34.787   16.513   26.104   16.623   13.574   4.0984   11.782   4.1484 1.791625 5.831460 
1 1 1   14   10   11 o   13.441   2.9196   29.749   10.438   16.002   18.479   36.192   12.650   9.9940   4.1365   14.576   3.2519 -4.582153 5.261681 
1 1 1   14   11    0 o   5.5848   3.5749   2.2325   12.293   2.2325   12.293   2.2325   12.293   5.5848   3.5749   5.5848   3.5749 0.000000 0.000000 
1 1 1   14   11    1 o   10.390   2.9582   16.919   8.8213   0.6591   12.210   34.672   12.758   7.3498   3.2094   14.745   3.2477 -7.394729 4.565931 
1 1 1   14   11    2 o   8.7697   3.1016   11.124   9.3023   17.811   12.382   2.4587   14.095   10.597   3.5864   8.0294   3.4776 2.567598 4.995616 
1 1 1   14   11    3 o   15.524   2.0465   35.331   8.4878   19.051   12.403   49.671   11.640   10.853   3.5882   18.246   2.3870 -7.392959 4.309652 
1 1 1   14   11    4 o   22.496   1.4343   71.545   8.7891   60.846   12.894   80.829   12.012   20.191   2.3777   23.662   1.8690 -3.470928 3.024333 
1 1 1   14   11    5 o   17.583   1.8338   44.861   8.6998   49.861   13.227   41.049   11.549   17.933   2.7838   16.315   2.6781 1.618456 3.862905 
1 1 1   14   11    6 o   9.3445   3.2826   13.642   10.405  -7.4682   21.241   20.306   11.934   8.2166   3.8346   10.987   3.5117 -2.770484 5.199584 
1 1 1   14   11    7 o   11.401   3.2395   21.754   10.590   33.746   17.553   14.891   13.278   13.398   4.2563   9.7287   3.6632 3.669706 5.615666 
1 1 1   14   11    8 o   15.417   2.7766   37.825   11.291   24.711   16.181   50.271   15.764   11.588   4.0914   17.192   3.4681 -5.604464 5.363542 
1 1 1   14   11    9 o   5.7461   2.6913  -6.9074   10.622 -36.7530   17.952   9.1690   13.175   5.6714   2.8312   8.5334   3.5084 -2.862012 4.508268 
1 1 1   14   11   10 o   25.297   1.6323   92.794   11.247   31.374   18.548  128.508   14.143   12.412   4.3807   29.664   1.7489 -17.25154 4.716876 
1 1 1   14   12    0 o   17.301   3.0753   47.170   13.197   47.170   13.197   47.170   13.197   17.301   3.0753   17.301   3.0753 0.000000 0.000000 
1 1 1   14   12    1 o   15.642   2.3978   37.139   9.9434   46.691   13.134   24.315   15.219   17.218   2.8879   11.779   3.9762 5.438683 4.914267 
1 1 1   14   12    2 o   12.021   3.1103   23.669   10.316   23.806   13.932   23.503   15.351   11.704   3.7996   11.578   3.9917 0.1256742 5.511005 
1 1 1   14   12    3 o   7.0376   2.9078   4.2631   9.1090   13.530   13.416  -3.6626   12.407   9.5103   3.6580   6.6933   3.0534 2.817076 4.764896 
1 1 1   14   12    4 o   9.9955   3.1788   16.389   9.7884   2.9021   15.716   24.936   12.511   8.1778   3.6040   12.015   3.5538 -3.837200 5.061429 
1 1 1   14   12    5 o   8.1503   3.1206   9.1548   9.7359  -8.3557   15.629   20.259   12.446   6.9528   3.2591   10.840   3.5949 -3.886777 4.852313 
1 1 1   14   12    6 o   12.602   2.8799   25.853   9.7215   25.104   14.934   26.403   12.806   11.709   3.9389   12.228   3.5894 -0.5193377 5.329009 
1 1 1   14   12    7 o   9.3292   3.2924   14.276   10.477   9.0296   13.147   23.405   17.343   8.5057   3.5017   11.186   4.1915 -2.680408 5.461750 
1 1 1   14   12    8 o   9.8055   3.4437   16.455   11.451   27.863   17.296   7.5532   15.279   11.902   4.2270   8.5149   3.6538 3.386745 5.587296 
1 1 1   14   12    9 o   8.9840   3.2804   13.167   10.502   16.158   17.550   11.498   13.108   9.8779   4.0537   8.8303   3.5472 1.047559 5.386620 
1 1 1   14   13    0 o   7.7405   4.7310   13.021   19.065   13.021   19.065   13.021   19.065   7.7405   4.7310   7.7405   4.7310 0.000000 0.000000 
1 1 1   14   13    1 o   5.5212   2.6611 -13.8330   11.982  -2.1349   15.493 -31.2441   18.901   7.4862   3.4139   6.1541   3.0435 1.332016 4.573562 
1 1 1   14   13    2 f   11.062   3.5416   21.422   12.135   15.970   15.655   29.627   19.206   9.9417   3.9146   12.262   4.4424 -2.319971 5.921069 
1 1 1   14   13    3 o   8.7759   3.5260   10.636   12.954   16.631   15.656  -2.3735   23.064   10.026   3.9248   8.6648   4.0276 1.360748 5.623654 
1 1 1   14   13    4 o   11.689   3.1228   23.106   10.186   13.944   13.236   36.413   15.951   9.3819   3.6264   13.938   3.9813 -4.555931 5.385340 
1 1 1   14   13    5 o   13.256   2.7152   28.326   9.5244   24.532   13.389   32.212   13.551   11.584   3.7214   13.390   3.6124 -1.806076 5.186354 
1 1 1   14   13    6 f   9.9631   3.2634   17.046   10.268   1.3908   15.842   28.387   13.484   7.8210   3.5206   12.431   3.6923 -4.610256 5.101711 
1 1 1   14   14    0 o   13.487   5.8963   45.613   22.671   45.613   22.671   45.613   22.671   13.487   5.8963   13.487   5.8963 0.000000 0.000000 
1 1 1   14   14    1 o   5.1943   2.6209 -45.8959   17.569 -34.5751   29.119 -52.3754   22.030   7.6239   3.7716   5.8610   2.9544 1.762913 4.790977 
1 1 1   14   14    2 o   11.653   3.6871   25.018   13.182   14.729   18.306   36.098   18.996   9.7288   4.0790   13.173   4.4423 -3.443970 6.030950 
1 1 1   15    0    1 o   22.912   2.4450   75.652   14.900   75.652   14.900   75.652   14.900   22.912   2.4450   22.912   2.4450 0.000000 0.000000 
1 1 1   15    0    2 o   33.849   1.9781  160.545   18.191  160.545   18.191  160.545   18.191   33.849   1.9781   33.849   1.9781 0.000000 0.000000 
1 1 1   15    0    3 o   28.209   2.0076  112.135   15.327  112.135   15.327  112.135   15.327   28.209   2.0076   28.209   2.0076 0.000000 0.000000 
1 1 1   15    0    4 o   39.731   1.6402  219.426   17.775  219.426   17.775  219.426   17.775   39.731   1.6402   39.731   1.6402 0.000000 0.000000 
1 1 1   15    0    5 o   7.1518   4.2217   9.3218   14.167   9.3218   14.167   9.3218   14.167   7.1518   4.2217   7.1518   4.2217 0.000000 0.000000 
1 1 1   15    0    6 o   8.1943   4.1407   14.607   11.530   14.607   11.530   14.607   11.530   8.1943   4.1407   8.1943   4.1407 0.000000 0.000000 
1 1 1   15    0    7 o   28.711   1.5462  115.209   12.076  115.209   12.076  115.209   12.076   28.711   1.5462   28.711   1.5462 0.000000 0.000000 
1 1 1   15    0    8 f   4.3055   2.9540  -6.4321   11.214  -6.4321   11.214  -6.4321   11.214   4.3055   2.9540   4.3055   2.9540 0.000000 0.000000 
1 1 1   15    0    9 o   6.2164   3.7254   6.9429   11.345   6.9429   11.345   6.9429   11.345   6.2164   3.7254   6.2164   3.7254 0.000000 0.000000 
1 1 1   15    0   10 o   16.452   3.0544   42.848   12.367   42.848   12.367   42.848   12.367   16.452   3.0544   16.452   3.0544 0.000000 0.000000 
1 1 1   15    0   11 o   5.6192   3.8054  -4.0173   17.367  -4.0173   17.367  -4.0173   17.367   5.6192   3.8054   5.6192   3.8054 0.000000 0.000000 
1 1 1   15    0   12 o   8.6836   4.8662   19.303   17.408   19.303   17.408   19.303   17.408   8.6836   4.8662   8.6836   4.8662 0.000000 0.000000 
1 1 1   15    0   13 o   35.444   1.9510  180.604   18.805  180.604   18.805  180.604   18.805   35.444   1.9510   35.444   1.9510 0.000000 0.000000 
1 1 1   15    1    0 o   8.3547   4.4324   14.873   13.652   14.873   13.652   14.873   13.652   8.3547   4.4324   8.3547   4.4324 0.000000 0.000000 
1 1 1   15    1    1 o   28.775   1.3905  114.855   10.957  116.799   15.454  112.891   15.537   28.768   1.9737   28.260   2.0210 0.5078220 2.824908 
1 1 1   15    1    2 o   11.318   3.0126   19.299   9.5020   26.359   13.686   12.728   13.203   13.063   3.6727   9.9464   3.6709 3.116125 5.192731 
1 1 1   15    1    3 o   15.277   2.7508   34.564   11.084   5.8669   18.395   50.926   13.889   9.7126   4.0814   18.587   2.8173 -8.873948 4.959274 
1 1 1   15    1    4 o   13.228   2.6860   26.071   9.3972   11.372   13.167   41.332   13.416   9.6215   3.6420   16.570   3.0697 -6.948978 4.763112 
1 1 1   15    1    5 o   12.056   2.8600   22.030   9.2993   20.595   12.932   23.567   13.382   11.571   3.6509   12.283   3.6852 -0.7114878 5.187464 
1 1 1   15    1    6 o   12.818   2.6750   24.748   9.0857   30.612   13.147   19.387   12.571   13.941   3.4601   11.209   3.6063 2.732407 4.997785 
1 1 1   15    1    7 o   9.0554   2.9488   12.131   8.3885   12.396   13.134   11.949   10.902   9.6494   3.6411   9.2677   3.3486 0.3816271 4.946796 
1 1 1   15    1    8 o   7.6506   2.8527   7.4036   8.0140   16.522   11.563  -1.0240   11.117   10.321   3.4660   6.8360   3.0209 3.485024 4.597689 
1 1 1   15    1    9 o   23.266   1.3944   76.345   8.8431   74.217   11.854   79.017   13.280   22.640   1.9304   23.245   2.1093 -0.6052246 2.859297 
1 1 1   15    1   10 o   8.4006   2.9732   10.433   8.5498   5.9167   11.972   15.133   12.214   7.9843   3.3191   9.8068   3.5443 -1.822456 4.855718 
1 1 1   15    1   11 o   21.618   2.0072   69.095   11.747   80.791   15.854   54.861   17.491   22.865   2.5771   17.748   3.7179 5.116394 4.523722 
1 1 1   15    1   12 o   11.144   3.4428   21.799   11.566   10.958   18.100   29.281   15.037   9.3281   3.9890   12.493   3.9365 -3.164903 5.604295 
1 1 1   15    1   13 o   12.988   3.0527   28.584   10.674   50.244   15.215   7.5946   14.978   17.002   3.3868   8.4077   3.6129 8.594775 4.952161 
1 1 1   15    2    0 o   8.1149   4.3769   13.922   13.516   13.922   13.516   13.922   13.516   8.1149   4.3769   8.1149   4.3769 0.000000 0.000000 
1 1 1   15    2    1 o   44.814   1.1718  277.620   14.380  274.065   20.154  281.308   20.523   44.313   1.6609   44.890   1.6696 -0.5772896 2.355021 
1 1 1   15    2    2 o   10.087   3.1330   15.026   9.5635   18.435   13.502   11.592   13.548   11.187   3.7452   9.7574   3.6942 1.429623 5.260608 
1 1 1   15    2    3 o   15.219   2.3582   33.706   9.5100   32.983   13.262   34.472   13.645   14.650   3.3753   14.970   3.4053 -0.3203878 4.794670 
1 1 1   15    2    4 o   20.271   1.8102   58.160   9.9429   63.358   13.699   52.374   14.454   20.898   2.4399   18.757   2.9081 2.140238 3.796031 
1 1 1   15    2    5 o   18.545   1.8577   48.945   9.3072   40.760   13.294   56.814   13.035   16.379   3.0770   19.724   2.4673 -3.345385 3.944057 
1 1 1   15    2    6 o   11.614   2.7402   20.519   8.5743   15.136   11.891   26.351   12.376   10.147   3.5123   12.915   3.4383 -2.768714 4.915071 
1 1 1   15    2    7 o   12.968   2.7976   25.756   9.6425   18.433   15.567   30.315   12.282   11.037   3.9994   13.851   3.2874 -2.814205 5.177097 
1 1 1   15    2    8 o   7.9502   2.8592   8.6421   7.9370   6.6133   11.540   10.463   10.934   8.1701   3.3120   8.8388   3.3250 -0.6686974 4.693039 
1 1 1   15    2    9 o   14.906   2.0603   32.740   8.1846   29.937   11.437   35.682   11.718   13.650   3.1268   15.055   2.9479 -1.404798 4.297355 
1 1 1   15    2   10 f   7.1700   2.9280   4.8724   9.0997   6.6365   13.854   3.5340   12.068   8.4127   3.5389   7.5963   3.2530 0.8163791 4.806909 
1 1 1   15    2   11 o   9.1598   3.4901   12.813   12.141  -8.9060   20.167   25.158   15.205   7.7793   3.6640   11.727   3.9742 -3.947554 5.405526 
1 1 1   15    2   12 o   8.4411   3.3307   10.087   11.355  -9.7088   17.661   24.037   14.826   7.1592   3.3892   11.353   3.9223 -4.193782 5.183751 
1 1 1   15    2   13 o   10.954   3.3781   21.391   11.141   26.448   15.197   15.515   16.381   11.667   3.9731   9.6656   3.9356 2.001821 5.592422 
1 1 1   15    3    0 o   27.114   2.0757  103.976   15.204  103.976   15.204  103.976   15.204   27.114   2.0757   27.114   2.0757 0.000000 0.000000 
1 1 1   15    3    1 o   15.538   2.3318   35.052   9.6156   29.298   13.505   40.969   13.694   13.741   3.5602   16.476   3.1501 -2.735104 4.753793 
1 1 1   15    3    2 o   16.180   2.2406   37.834   9.6612   37.160   13.487   38.544   13.846   15.610   3.2604   15.892   3.2901 -0.2816353 4.631936 
1 1 1   15    3    3 o   16.250   2.1357   38.040   9.2736   41.712   13.122   34.376   13.108   16.666   2.9849   14.962   3.2889 1.703681 4.441431 
1 1 1   15    3    4 o   13.763   2.5493   28.111   9.2537   37.695   13.435   19.459   12.764   15.669   3.2383   11.283   3.6344 4.385233 4.867773 
1 1 1   15    3    5 o   32.415   1.3022  146.150   11.559   91.301   21.709  167.853   13.656   24.432   3.3317   34.679   1.4380 -10.24744 3.628799 
1 1 1   15    3    6 f   11.410   2.7008   19.838   8.3074   19.307   12.562   20.250   11.075   11.126   3.6078   11.364   3.3386 -0.2382708 4.915503 
1 1 1   15    3    7 o   40.635   1.2951  230.459   14.411  332.564   18.573   75.953   22.846   48.742   1.3915   21.427   4.0419 27.31479 4.274705 
1 1 1   15    3    8 o   18.809   1.6774   50.578   8.5491   46.905   12.342   53.967   11.853   17.577   2.6462   19.083   2.3158 -1.505831 3.516457 
1 1 1   15    3    9 o   21.745   1.7204   67.964   10.161   73.925   12.144   54.055   18.551   22.507   1.9910   17.714   3.9273 4.792507 4.403163 
1 1 1   15    3   10 o   12.720   3.1479   26.738   10.905   25.659   15.304   27.851   15.543   11.948   3.9875   12.395   4.0124 -0.4476471 5.656822 
1 1 1   15    3   11 o   11.394   3.1683   21.923   10.244   34.423   16.861   14.610   12.897   13.436   4.1578   9.5412   3.6062 3.894845 5.503829 
1 1 1   15    3   12 o   9.9242   3.5843   17.086   12.489   25.583   17.534   8.3367   17.792   11.438   4.2286   8.9022   3.8811 2.536078 5.739657 
1 1 1   15    3   13 f   15.672   2.6242   39.416   10.864   40.669   15.467   38.196   15.262   14.723   3.8079   14.213   3.8333 0.5102177 5.403166 
1 1 1   15    4    0 o   24.612   2.0597   86.048   13.658   86.048   13.658   86.048   13.658   24.612   2.0597   24.612   2.0597 0.000000 0.000000 
1 1 1   15    4    1 f   7.5847   2.9663   5.7895   8.9357   7.8354   12.588   3.7111   12.687   8.8138   3.4976   8.1211   3.3998 0.6926308 4.877633 
1 1 1   15    4    2 o   9.6031   3.0319   13.635   8.9171   12.239   12.352   15.154   12.886   9.6327   3.5515   10.324   3.6505 -0.6913643 5.093082 
1 1 1   15    4    3 o   20.700   1.6519   60.434   9.2856   51.327   12.893   70.250   13.385   18.671   2.5915   22.067   2.2464 -3.395470 3.429602 
1 1 1   15    4    4 o   16.211   1.9577   37.755   8.5145   31.934   12.881   42.273   11.347   14.286   3.3506   16.918   2.5268 -2.631682 4.196594 
1 1 1   15    4    5 o   26.405   1.2854   97.063   9.2943   72.750   15.476  110.778   11.624   22.185   2.5966   28.080   1.5173 -5.894808 3.007432 
1 1 1   15    4    6 o   7.0040   2.7973   4.5831   8.0994   13.984   12.606  -2.0268   10.570   9.8616   3.5950   6.5511   2.9176 3.310505 4.629966 
1 1 1   15    4    7 o   22.285   1.4953   70.205   9.0720   74.338   12.731   65.943   12.930   22.611   2.0795   21.172   2.2654 1.438341 3.075131 
1 1 1   15    4    8 o   8.6655   3.0388   11.083   8.9150   28.372   12.174  -8.9070   13.091   13.135   3.3685   6.3935   2.9924 6.741674 4.505737 
1 1 1   15    4    9 o   16.796   1.9761   41.484   8.9150   44.592   12.031   37.700   13.277   16.962   2.6791   15.124   3.2987 1.837925 4.249598 
1 1 1   15    4   10 o   19.772   1.9603   57.679   10.474   57.215   15.620   58.058   14.118   18.690   3.1649   19.192   2.7663 -0.5023956 4.203471 
1 1 1   15    4   11 o   5.7607   2.6676  -5.0245   9.9730 -15.4243   14.998   3.2191   13.353   6.1700   2.9747   7.6570   3.3495 -1.486924 4.479775 
1 1 1   15    4   12 o   7.9433   3.0911   8.9055   9.6670   5.1620   15.242   11.425   12.504   8.1411   3.5695   8.7521   3.4818 -0.6109734 4.986446 
1 1 1   15    4   13 f   5.6231   2.6869 -10.3577   11.632   3.5573   16.860 -22.9969   16.068   8.1050   3.6417   5.8422   2.8732 2.262762 4.638677 
1 1 1   15    5    0 o   29.377   1.9031  121.560   15.162  121.560   15.162  121.560   15.162   29.377   1.9031   29.377   1.9031 0.000000 0.000000 
1 1 1   15    5    1 o   7.9658   2.9952   7.6332   8.8709   2.2354   12.527   13.063   12.564   7.8013   3.3269   9.7854   3.5857 -1.984110 4.891385 
1 1 1   15    5    2 o   18.777   1.7911   50.147   9.0975   57.496   12.748   42.520   12.986   19.840   2.3950   16.761   2.9365 3.078894 3.789313 
1 1 1   15    5    3 o   11.617   2.8376   20.667   8.9493   11.094   12.489   30.769   12.830   9.3304   3.5435   13.969   3.3886 -4.639039 4.902943 
1 1 1   15    5    4 o   15.832   1.9715   36.192   8.3619   32.386   12.997   38.880   10.923   14.304   3.3730   16.150   2.5548 -1.846727 4.231350 
1 1 1   15    5    5 o   19.858   1.5678   55.822   8.4562   68.278   13.157   47.056   11.038   21.614   2.2563   17.882   2.3080 3.732122 3.227651 
1 1 1   15    5    6 o   5.6624   2.5293  -2.0448   8.0071  -6.2620   12.494   0.8945   10.431   6.5503   3.0163   6.9106   2.9924 -0.3603086 4.248785 
1 1 1   15    5    7 o   10.438   2.8779   17.208   8.4915   24.077   12.827   11.848   11.330   12.006   3.6092   9.1157   3.3933 2.890730 4.953844 
1 1 1   15    5    8 o   7.4905   2.9617   6.3787   8.9955   18.162   12.114  -8.1065   13.431   10.506   3.5474   6.5237   3.0461 3.982569 4.675771 
1 1 1   15    5    9 o   10.473   3.1982   18.230   10.014   12.669   15.024   22.676   13.434   9.4528   3.7976   11.376   3.7330 -1.923459 5.325116 
1 1 1   15    5   10 o   9.9187   3.2398   16.485   10.123   5.9697   15.213   24.841   13.561   8.3802   3.6212   11.740   3.7423 -3.359788 5.207548 
1 1 1   15    5   11 o   11.890   2.9003   23.472   9.3587   8.3319   14.012   35.665   12.575   8.4446   3.5560   14.426   3.2599 -5.981642 4.824154 
1 1 1   15    5   12 o   5.2317   2.4861  -8.5101   9.6810 -10.3454   15.383  -7.3067   12.457   6.5610   3.1224   6.1423   2.8889 0.4186053 4.253895 
1 1 1   15    6    0 o   13.254   4.7895   34.332   15.942   34.332   15.942   34.332   15.942   13.254   4.7895   13.254   4.7895 0.000000 0.000000 
1 1 1   15    6    1 o   18.258   1.8313   47.674   9.0327   33.773   12.591   62.417   12.966   14.693   3.2184   20.658   2.3329 -5.965576 3.974996 
1 1 1   15    6    2 o   20.259   1.6699   58.247   9.1815   63.695   12.978   52.787   12.992   20.869   2.3096   18.828   2.5883 2.041685 3.468991 
1 1 1   15    6    3 o   5.9104   2.6389  -2.2095   8.7051 -13.4733   12.367   8.8507   12.255   5.8347   2.7831   8.7717   3.4605 -2.937028 4.440784 
1 1 1   15    6    4 o   6.8490   2.7700   4.0432   8.0523   5.6168   12.488   2.9235   10.534   8.2054   3.3987   7.2944   3.0781 0.9109478 4.585417 
1 1 1   15    6    5 o   4.1982   2.0563 -14.2747   7.9703  -5.0061   12.329 -20.9294   10.447   6.6312   3.0323   4.6081   2.2758 2.023095 3.791329 
1 1 1   15    6    6 o   10.558   2.8464   17.618   8.4171   25.090   12.814   11.947   11.163   12.235   3.5903   9.1048   3.3724 3.130225 4.925748 
1 1 1   15    6    7 f   6.7368   2.8066   3.2561   8.5873   11.882   12.997  -3.4266   11.440   9.2229   3.5856   6.4941   2.9507 2.728718 4.643577 
1 1 1   15    6    8 o   7.4504   3.2038   3.2434   11.791   22.200   16.330 -17.4057   17.044   11.207   4.0908   6.5917   3.1763 4.615406 5.179129 
1 1 1   15    6    9 o   12.957   3.0159   27.695   10.500   25.817   16.965   28.861   13.369   11.724   4.1840   12.741   3.6466 -1.017282 5.550089 
1 1 1   15    6   10 o   8.3950   3.0980   10.797   9.4028   15.381   14.232   7.2462   12.526   9.6623   3.7533   8.0857   3.3809 1.576575 5.051504 
1 1 1   15    6   11 o   11.240   2.9928   21.431   9.3753   18.905   14.242   23.363   12.454   10.217   3.8043   11.300   3.5848 -1.082891 5.227171 
1 1 1   15    7    0 o   8.3677   4.2424   15.714   12.127   15.714   12.127   15.714   12.127   8.3677   4.2424   8.3677   4.2424 0.000000 0.000000 
1 1 1   15    7    1 o   7.8354   2.9429   7.7969   8.5593   8.8482   12.063   6.7310   12.147   8.6833   3.4308   8.3091   3.3868 0.3741674 4.820915 
1 1 1   15    7    2 o   16.160   2.0592   38.189   8.9051   29.076   12.609   47.260   12.579   13.358   3.4295   17.635   2.6900 -4.277535 4.358569 
1 1 1   15    7    3 o   7.2351   2.8989   5.1629   8.7294   4.0735   12.815   6.1061   11.924   7.9692   3.3807   8.1186   3.3377 -0.1494446 4.750692 
1 1 1   15    7    4 o   18.875   1.6975   51.106   8.6802   28.940   13.044   68.725   11.629   13.177   3.5397   21.742   1.9747 -8.565547 4.053256 
1 1 1   15    7    5 o   30.613   1.2806  131.464   10.735  103.026   17.365  149.053   13.657   26.197   2.4491   32.426   1.5381 -6.228355 2.892021 
1 1 1   15    7    6 o   14.002   2.8954   31.251   10.735   46.307   16.542   20.298   14.110   16.380   3.7667   10.930   3.8236 5.449391 5.367349 
1 1 1   15    7    7 o   10.109   3.4058   17.016   11.166   12.921   18.059   19.551   14.207   9.7668   4.0696   10.666   3.8265 -0.8994570 5.586023 
1 1 1   15    7    8 o   9.5655   3.2584   15.090   10.222   14.946   14.321   15.239   14.594   9.6933   3.7651   9.7620   3.7982 -0.6866837E-01 5.348110 
1 1 1   15    7    9 o   15.030   2.6084   35.812   10.346   35.766   15.571   35.848   13.845   13.810   3.9297   14.205   3.5648 -0.3951693 5.305667 
1 1 1   15    7   10 o   8.5736   3.1034   11.745   9.3701   22.983   14.188   3.0518   12.479   11.064   3.8362   7.3853   3.2342 3.678930 5.017634 
1 1 1   15    7   11 o   6.6637   2.8701   2.7455   9.4926   3.3911   14.575   2.2700   12.509   7.7447   3.4389   7.2347   3.2004 0.5099907 4.697780 
1 1 1   15    8    0 o   7.3247   4.0931   11.890   12.274   11.890   12.274   11.890   12.274   7.3247   4.0931   7.3247   4.0931 0.000000 0.000000 
1 1 1   15    8    1 o   17.866   1.8639   46.346   8.9841   49.927   12.659   42.713   12.752   18.064   2.6369   16.488   2.9319 1.575695 3.943270 
1 1 1   15    8    2 o   19.801   1.7348   56.466   9.3117   54.933   13.082   58.041   13.257   18.983   2.5837   19.555   2.5355 -0.5714512 3.619927 
1 1 1   15    8    3 o   14.971   2.8125   35.186   11.107   23.499   16.384   45.121   15.107   11.617   4.1154   16.495   3.4552 -4.878034 5.373548 
1 1 1   15    8    4 o   6.6063   2.9713  -1.9774   11.256   6.0110   16.365  -9.1507   15.508   8.7286   3.7639   6.9153   3.2431 1.813291 4.968329 
1 1 1   15    8    5 o   6.1731   2.8549  -5.5435   11.370 -20.2769   17.933   4.3603   14.703   6.5990   3.1988   8.1766   3.5466 -1.577594 4.776058 
1 1 1   15    8    6 o   11.369   3.1917   21.765   10.344   17.322   14.586   26.258   14.670   10.179   3.8381   12.009   3.8991 -1.830404 5.471192 
1 1 1   15    8    7 o   4.7842   2.3156 -12.4008   9.3092   2.9105   14.300 -23.6627   12.264   7.8079   3.4395   4.9102   2.4324 2.897708 4.212700 
1 1 1   15    8    8 f   9.4797   3.0714   15.012   9.1057  -0.5907   13.417   28.336   12.398   7.1485   3.2268   12.635   3.4749 -5.486537 4.742112 
1 1 1   15    8    9 o   10.189   3.2513   18.070   10.233   5.9380   15.425   27.607   13.676   8.2475   3.6042   12.143   3.7424 -3.895722 5.195727 
1 1 1   15    8   10 o   11.505   3.0166   22.673   9.6202   21.705   14.578   23.419   12.804   10.680   3.8702   11.200   3.6430 -0.5195475 5.315032 
1 1 1   15    9    0 o   6.4593   4.1595   4.4299   16.953   4.4299   16.953   4.4299   16.953   6.4593   4.1595   6.4593   4.1595 0.000000 0.000000 
1 1 1   15    9    1 o   8.5966   3.5976   7.8713   14.200   26.577   19.106 -15.2149   21.225   11.933   4.4136   7.5853   3.6258 4.347850 5.711949 
1 1 1   15    9    2 o   11.294   3.8531   22.556   14.293   22.648   19.590   22.452   20.899   11.264   4.3956   11.258   4.4943 0.6207466E-02 6.286473 
1 1 1   15    9    3 o   9.8891   3.7616   15.797   14.088   0.6659   19.201   33.445   20.736   8.4563   3.8347   12.913   4.6238 -4.456648 6.007043 
1 1 1   15    9    4 o   14.534   3.0228   34.616   11.638   26.838   15.488   44.704   17.639   12.038   4.0111   15.509   4.0935 -3.470506 5.731146 
1 1 1   15    9    5 o   9.8984   3.2730   16.497   10.320   10.795   15.210   21.360   14.048   9.0459   3.7492   10.909   3.8152 -1.863001 5.349036 
1 1 1   15    9    6 o   7.0107   3.0102   3.1238   10.382   9.7822   15.540  -2.2430   13.952   8.8728   3.7411   7.0856   3.2345 1.787242 4.945478 
1 1 1   15    9    7 o   6.3678   2.8425  -0.4016   10.095   0.2559   14.486  -1.0224   14.075   7.4350   3.3548   7.2091   3.2745 0.2259564 4.688006 
1 1 1   15    9    8 o   11.382   3.1717   22.528   10.254   29.061   14.542   16.067   14.462   12.307   3.8700   9.6674   3.7756 2.639507 5.406655 
1 1 1   15   10    0 o   4.4798   3.1980 -20.9575   17.601 -20.9575   17.601 -20.9575   17.601   4.4798   3.1980   4.4798   3.1980 0.000000 0.000000 
1 1 1   15   10    1 o   10.131   3.5324   17.644   12.038   14.787   17.605   20.152   16.497   9.8272   4.0497   10.629   4.0639 -0.8021688 5.737203 
1 1 1   15   10    2 o   8.0929   3.2183   8.6553   10.678   10.188   14.973   7.0691   15.232   8.8993   3.7067   8.4846   3.6447 0.4147320 5.198409 
1 1 1   15   10    3 o   7.3034   3.0598   4.9386   10.288  -2.8496   14.930   11.982   14.198   7.2271   3.3165   9.0747   3.6754 -1.847620 4.950591 
1 1 1   15   10    4 o   18.174   1.8946   49.012   9.2903   55.810   13.680   43.192   12.657   18.651   2.7620   16.202   2.9619 2.448772 4.049915 
1 1 1   15   10    5 o   5.5859   2.5705  -3.8493   9.0533  -1.8489   13.264  -5.5941   12.388   6.9385   3.1621   6.3239   2.9436 0.6145978 4.320104 
1 1 1   15   10    6 o   7.5230   3.0089   7.2444   9.3864   20.362   14.310  -2.6617   12.435   10.483   3.8290   6.6331   3.0377 3.850119 4.887578 
1 1 1   15   10    7 o   9.5740   3.2771   15.921   10.339   15.193   14.601   16.654   14.643   9.4760   3.7648   9.7315   3.7996 -0.2554512 5.348900 
1 1 1   15   11    0 o   6.9570   4.2839   10.024   15.895   10.024   15.895   10.024   15.895   6.9570   4.2839   6.9570   4.2839 0.000000 0.000000 
1 1 1   15   11    1 o   15.572   3.1711   41.249   13.063   13.669   19.201   65.010   17.823   9.6023   4.1075   19.243   3.5117 -9.640719 5.404042 
1 1 1   15   11    2 o   10.029   3.1623   17.351   9.7030   16.151   13.333   18.702   14.147   9.6682   3.6637   10.171   3.7906 -0.5024214 5.271815 
1 1 1   15   11    3 o   7.5052   3.0293   7.0085   9.6090   15.128   13.103  -2.4370   14.133   9.4445   3.6193   7.0248   3.2249 2.419686 4.847587 
1 1 1   15   11    4 o   6.1597   2.7185   0.4675   8.9734  -0.7483   13.187   1.5160   12.246   7.0000   3.1757   7.0884   3.1496 -0.8844185E-01 4.472686 
1 1 1   16    0    0 f   15.564   5.0443   44.871   19.009   44.871   19.009   44.871   19.009   15.564   5.0443   15.564   5.0443 0.000000 0.000000 
1 1 1   16    0    1 o   4.4901   3.1029  -7.8791   12.913  -7.8791   12.913  -7.8791   12.913   4.4901   3.1029   4.4901   3.1029 0.000000 0.000000 
1 1 1   16    0    2 o   5.8381   3.7197   3.7090   13.121   3.7090   13.121   3.7090   13.121   5.8381   3.7197   5.8381   3.7197 0.000000 0.000000 
1 1 1   16    0    3 o   10.736   4.6231   25.644   13.954   25.644   13.954   25.644   13.954   10.736   4.6231   10.736   4.6231 0.000000 0.000000 
1 1 1   16    0    4 o   11.160   5.0521   29.412   16.635   29.412   16.635   29.412   16.635   11.160   5.0521   11.160   5.0521 0.000000 0.000000 
1 1 1   16    0    5 o   4.9973   3.4195  -5.8189   14.812  -5.8189   14.812  -5.8189   14.812   4.9973   3.4195   4.9973   3.4195 0.000000 0.000000 
1 1 1   16    0    6 o   21.268   2.2677   67.092   12.829   67.092   12.829   67.092   12.829   21.268   2.2677   21.268   2.2677 0.000000 0.000000 
1 1 1   16    0    7 f   15.159   4.1322   42.051   14.829   42.051   14.829   42.051   14.829   15.159   4.1322   15.159   4.1322 0.000000 0.000000 
1 1 1   16    0    8 f   14.411   3.9190   37.790   13.368   37.790   13.368   37.790   13.368   14.411   3.9190   14.411   3.9190 0.000000 0.000000 
1 1 1   16    0    9 o   4.4550   3.0571  -5.1928   12.024  -5.1928   12.024  -5.1928   12.024   4.4550   3.0571   4.4550   3.0571 0.000000 0.000000 
1 1 1   16    1    0 o   5.7137   3.7788  -0.2053   15.412  -0.2053   15.412  -0.2053   15.412   5.7137   3.7788   5.7137   3.7788 0.000000 0.000000 
1 1 1   16    1    1 o   14.729   2.4829   33.395   9.6585   35.777   14.108   31.295   13.250   14.433   3.5856   13.507   3.5396 0.9257364 5.038420 
1 1 1   16    1    2 o   7.9690   3.0557   8.5016   9.3436   17.131   12.936  -0.9112   13.511   10.173   3.6511   7.2671   3.2629 2.906261 4.896679 
1 1 1   16    1    3 o   8.3683   3.0747   10.339   9.2468   19.128   13.118   1.6586   13.036   10.563   3.6872   7.4644   3.2863 3.098940 4.939180 
1 1 1   16    1    4 o   16.892   2.2733   43.362   10.248   30.903   15.610   52.800   13.587   12.890   4.0025   18.214   2.8149 -5.324115 4.893201 
1 1 1   16    1    5 o   15.514   2.3371   37.024   9.6208   44.411   13.831   30.100   13.391   16.272   3.2181   12.965   3.6286 3.306238 4.850079 
1 1 1   16    1    6 o   15.600   2.3849   37.747   9.8639   47.185   14.544   29.708   13.423   16.634   3.3093   12.793   3.6514 3.840868 4.927911 
1 1 1   16    1    7 o   11.933   3.0807   24.330   10.136   1.4641   14.308   47.361   14.360   7.5204   3.3686   16.618   3.2722 -9.097185 4.696253 
1 1 1   16    1    8 o   8.1999   3.0676   10.441   9.2820   6.4451   13.446   14.079   12.829   7.9754   3.4251   9.1926   3.5656 -1.217214 4.944125 
1 1 1   16    1    9 o   6.9239   3.0034   3.1482   10.544   1.0711   17.007   4.4452   13.439   7.8038   3.5658   7.6396   3.3507 0.1642675 4.893038 
1 1 1   16    2    0 o   6.9996   4.0883   10.575   13.041   10.575   13.041   10.575   13.041   6.9996   4.0883   6.9996   4.0883 0.000000 0.000000 
1 1 1   16    2    1 o   6.2074   2.7425  -0.3767   9.1577   5.0375   13.046  -5.6351   12.857   7.9693   3.3968   6.5646   3.0359 1.404698 4.555783 
1 1 1   16    2    2 o   7.5119   2.9988   6.5485   9.3043  -0.4082   13.040   13.764   13.280   7.2019   3.2216   9.4735   3.6405 -2.271589 4.861222 
1 1 1   16    2    3 o   17.547   2.1695   46.296   10.203   19.676   15.381   67.214   13.634   10.639   3.9550   20.963   2.4195 -10.32482 4.636341 
1 1 1   16    2    4 o   11.297   3.2320   21.737   10.503   12.122   16.358   28.481   13.701   9.3766   3.8873   12.568   3.7193 -3.190960 5.380002 
1 1 1   16    2    5 o   10.765   3.5185   20.411   11.938   13.494   20.406   24.011   14.721   9.8316   4.2208   11.384   3.9098 -1.552711 5.753401 
1 1 1   16    2    6 o   19.657   1.9558   57.571   10.388   57.225   15.073   57.884   14.336   18.576   3.0704   18.896   2.8600 -0.3199196 4.196079 
1 1 1   16    2    7 o   12.558   3.0300   26.768   10.300   31.090   14.055   21.754   15.137   12.870   3.7553   10.727   3.9350 2.143148 5.439368 
1 1 1   16    2    8 o   14.292   2.8695   33.988   10.840   37.415   15.446   30.662   15.216   13.914   3.8981   12.456   3.9635 1.457651 5.559185 
1 1 1   16    2    9 o   9.5952   3.1431   16.126   9.5248   11.529   13.196   21.126   13.762   8.6705   3.5317   10.495   3.7659 -1.824391 5.162841 
1 1 1   16    3    0 o   5.2787   3.5274  -1.7674   14.024  -1.7674   14.024  -1.7674   14.024   5.2787   3.5274   5.2787   3.5274 0.000000 0.000000 
1 1 1   16    3    1 o   7.2561   3.0151   4.7615   9.8732   1.3848   14.091   8.0180   13.838   7.6298   3.3849   8.5138   3.5562 -0.8839579 4.909627 
1 1 1   16    3    2 o   5.3703   2.5569  -9.9232   10.339  -8.9889   12.984 -11.5425   17.094   6.2262   2.9348   6.9773   3.3121 -0.7511158 4.425277 
1 1 1   16    3    3 o   10.476   3.3953   18.839   11.127   14.449   14.375   25.401   17.574   9.5870   3.7586   11.580   4.2412 -1.993148 5.667035 
1 1 1   16    3    4 o   8.9982   3.4722   12.408   12.118  -9.4230   17.615   32.019   16.696   7.1948   3.3996   12.861   4.1580 -5.665887 5.370888 
1 1 1   16    3    5 o   18.878   2.6637   56.510   13.387   45.151   18.231   69.803   19.722   15.220   4.2248   19.740   3.7862 -4.520683 5.673130 
1 1 1   16    3    6 o   9.2580   3.2953   14.375   10.517   26.046   16.341   6.1213   13.741   11.530   4.1072   8.0407   3.4581 3.489464 5.369150 
1 1 1   16    3    7 o   6.0450   2.7381  -1.7785   9.7575 -20.0139   15.542   10.086   12.536   5.9064   2.8883   8.4526   3.4425 -2.546199 4.493681 
1 1 1   16    3    8 o   10.294   3.0000   18.285   8.9748   27.756   12.512   8.2485   12.881   12.238   3.5353   8.1322   3.4162 4.105608 4.916134 
1 1 1   16    3    9 o   12.619   3.3025   28.661   11.544   11.948   17.392   41.825   15.435   9.0332   3.8877   14.767   3.7961 -5.734262 5.433654 
1 1 1   16    4    0 o   7.5215   4.6310   11.913   18.570   11.913   18.570   11.913   18.570   7.5215   4.6310   7.5215   4.6310 0.000000 0.000000 
1 1 1   16    4    1 o   21.305   2.3477   69.333   13.469   76.986   19.268   62.020   18.836   21.324   3.4150   18.663   3.8143 2.660919 5.119703 
1 1 1   16    4    2 o   7.4713   3.2686   2.7324   12.718   17.159   19.269  -8.4024   16.928   10.251   4.2319   7.1482   3.3638 3.102833 5.405910 
1 1 1   16    4    3 o   12.944   3.4253   29.331   12.330   31.580   17.506   27.116   17.371   12.650   4.2645   11.812   4.2318 0.8379793 6.007831 
1 1 1   16    4    4 o   11.014   3.4886   21.563   11.798   26.484   17.392   17.369   16.058   11.630   4.2253   10.060   3.9636 1.570138 5.793366 
1 1 1   16    4    5 o   8.9137   3.1838   12.998   9.8255   18.551   14.082   7.7297   13.716   10.182   3.7844   8.2797   3.5041 1.902040 5.157615 
1 1 1   16    4    6 o   17.591   2.0196   46.685   9.5521   40.913   13.758   52.056   13.272   15.254   3.3825   17.874   2.8039 -2.620436 4.393505 
1 1 1   16    4    7 o   7.4716   2.9848   7.3249   9.2241   20.699   13.446  -4.5649   12.678   10.499   3.7272   6.4408   2.9913 4.057878 4.779078 
1 1 1   16    4    8 f   21.303   1.6477   66.589   9.5373   60.143   12.715   74.880   14.421   19.504   2.4336   21.742   2.4659 -2.237782 3.464566 
1 1 1   16    5    0 o   5.4588   3.6293  -0.4578   14.520  -0.4578   14.520  -0.4578   14.520   5.4588   3.6293   5.4588   3.6293 0.000000 0.000000 
1 1 1   16    5    1 o   21.728   1.8665   69.641   10.998   76.551   16.412   64.010   14.816   21.855   2.8072   19.996   2.7811 1.859278 3.951575 
1 1 1   16    5    2 o   10.818   3.2639   20.283   10.476   11.846   15.708   27.042   14.059   9.1634   3.8049   12.049   3.8073 -2.886024 5.382649 
1 1 1   16    5    3 o   13.672   2.8568   30.712   10.351   30.496   14.830   30.916   14.454   12.680   3.8953   12.840   3.8248 -0.1601162 5.459170 
1 1 1   16    5    4 o   10.876   3.0691   20.257   9.5389   44.548   13.683  -2.7085   13.305   16.168   3.2040   6.8366   3.1350 9.330965 4.482574 
1 1 1   16    5    5 o   11.215   2.9195   21.256   9.0536   15.193   13.587   26.098   12.142   9.4557   3.6688   11.976   3.4892 -2.520734 5.063107 
1 1 1   16    5    6 o   9.3823   3.0455   15.057   8.9501   30.723   13.489   2.7346   11.963   12.793   3.6634   7.1742   3.1536 5.619044 4.833785 
1 1 1   16    5    7 o   5.9281   2.6711  -1.1326   9.1462 -13.9976   13.391   10.117   12.522   5.7586   2.7848   8.3781   3.4296 -2.619430 4.417812 
1 1 1   16    6    0 o   6.3062   3.9012   7.3348   13.328   7.3348   13.328   7.3348   13.328   6.3062   3.9012   6.3062   3.9012 0.000000 0.000000 
1 1 1   16    6    1 o   6.7948   2.8934   3.3775   9.4495   10.656   13.320  -3.9966   13.407   8.6762   3.5427   6.7199   3.1051 1.956368 4.710892 
1 1 1   16    6    2 o   12.453   2.8510   25.760   9.5127   36.996   13.529   14.773   13.378   14.408   3.4703   9.3982   3.6422 5.009887 5.030757 
1 1 1   16    6    3 o   6.4232   2.8317   0.8751   9.7107 -15.3068   14.149   15.284   13.352   5.8937   2.8531   9.4668   3.6470 -3.573150 4.630458 
1 1 1   16    6    4 o   10.736   3.1588   20.165   9.9075   11.603   14.743   27.215   13.379   8.8919   3.6887   12.004   3.7018 -3.112003 5.225903 
1 1 1   16    6    5 o   6.9225   2.8708   4.9497   8.9259   11.563   13.360  -0.3822   11.996   8.7297   3.5544   6.7550   3.0500 1.974721 4.683635 
1 1 1   16    6    6 o   15.487   2.3097   37.606   9.4957   26.499   13.824   47.527   13.066   11.657   3.7850   16.820   2.9440 -5.163062 4.795168 
1 1 1   16    7    0 o   11.617   4.4588   28.968   13.412   28.968   13.412   28.968   13.412   11.617   4.4588   11.617   4.4588 0.000000 0.000000 
1 1 1   16    7    1 o   5.9739   2.6975  -1.4444   9.3855   7.1852   13.449  -9.6360   13.104   8.0695   3.4444   6.0642   2.8848 2.005311 4.492900 
1 1 1   16    7    2 o   10.594   3.0759   19.513   9.4503   18.585   13.344   20.446   13.385   10.055   3.6937   10.441   3.7175 -0.3864164 5.240554 
1 1 1   16    7    3 o   8.2902   3.0911   10.923   9.4091   13.250   13.437   8.6847   13.179   9.0189   3.6026   8.2347   3.4572 0.7841330 4.993119 
1 1 1   16    7    4 o   16.105   2.3234   40.665   9.9502   46.852   14.887   35.669   13.377   16.121   3.4747   13.949   3.5061 2.172078 4.936188 
1 1 1   16    7    5 o   6.3615   2.7873   1.5315   9.2797 -11.0723   14.521   10.232   12.065   6.2356   2.9856   8.3298   3.3831 -2.094274 4.512071 
1 1 1   16    8    0 o   12.053   4.4036   30.566   13.399   30.566   13.399   30.566   13.399   12.053   4.4036   12.053   4.4036 0.000000 0.000000 
1 1 1   16    8    1 o   11.653   2.9705   23.401   9.5075   33.204   13.508   13.776   13.385   13.285   3.6161   9.0616   3.6032 4.223466 5.104825 
1 1 1   16    8    2 f   18.228   2.1680   51.243   10.609   34.712   16.221   63.600   14.025   12.992   4.0877   19.806   2.6524 -6.814817 4.872821 
#END OF REFLECTIONS
