data_r5ap3sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      5ap3 
_cell.length_a      70.7300 
_cell.length_b      111.2500 
_cell.length_c      112.0100 
_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   0.91730 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.700 
_diffrn_reflns.pdbx_d_res_low    78.933 
_diffrn_reflns.limit_h_max       26 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       41 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       41 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            12489 
_diffrn_reflns.pdbx_number_obs   12108 
# 
_entry.id   5ap3 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5ap3 
_symmetry.space_group_name_H-M   'I 2 2 2' 
_symmetry.Int_Tables_number      23 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'               
2 'X,  -Y,  -Z'             
3 '-X,  Y,  -Z'             
4 '-X,  -Y,  Z'             
5 'X+1/2,  Y+1/2,  Z+1/2'   
6 'X+1/2,  -Y+1/2,  -Z+1/2' 
7 '-X+1/2,  Y+1/2,  -Z+1/2' 
8 '-X+1/2,  -Y+1/2,  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    2 o  183.245   15.218   9.9686   2.1678   9.9686   2.1678   9.9686   2.1678  183.245   21.521  183.245   21.521 -0.000000 0.000000 
1 1 1    0    0    4 o  423.041   14.583   51.414   4.9487   51.414   4.9487   51.414   4.9487  423.041   20.624  423.041   20.624 -0.000000 0.000000 
1 1 1    0    0    6 o  443.614   14.657   56.501   5.2179   56.501   5.2179   56.501   5.2179  443.614   20.728  443.614   20.728 0.000000 0.000000 
1 1 1    0    0    8 o  1490.48   15.936  634.082   19.147  634.082   19.147  634.082   19.147  1490.48   22.537  1490.48   22.537 0.000000 0.000000 
1 1 1    0    0   10 o  221.239   15.984   14.392   2.7839   14.392   2.7839   14.392   2.7839  221.239   22.605  221.239   22.605 -0.000000 0.000000 
1 1 1    0    0   12 o  646.187   11.286  119.299   5.8734  119.299   5.8734  119.299   5.8734  646.187   15.960  646.187   15.960 0.000000 0.000000 
1 1 1    0    0   14 o  789.796   15.121  178.331   9.6159  178.331   9.6159  178.331   9.6159  789.796   21.385  789.796   21.385 0.000000 0.000000 
1 1 1    0    0   18 o  431.875   15.725   53.668   5.4439   53.668   5.4439   53.668   5.4439  431.875   22.238  431.875   22.238 0.000000 0.000000 
1 1 1    0    0   20 o  282.795   17.628   23.363   3.9486   23.363   3.9486   23.363   3.9486  282.795   24.929  282.795   24.929 0.000000 0.000000 
1 1 1    0    0   22 o  283.618   15.143   23.346   3.4184   23.346   3.4184   23.346   3.4184  283.618   21.416  283.618   21.416 0.000000 0.000000 
1 1 1    0    0   24 o  418.006   26.954   51.164   8.9131   51.164   8.9131   51.164   8.9131  418.006   38.118  418.006   38.118 -0.000000 0.000000 
1 1 1    0    0   26 o  1704.83   17.219  830.218   23.665  830.218   23.665  830.218   23.665  1704.83   24.351  1704.83   24.351 0.000000 0.000000 
1 1 1    0    0   28 o  566.498   19.467   92.364   8.8465   92.364   8.8465   92.364   8.8465  566.498   27.531  566.498   27.531 0.000000 0.000000 
1 1 1    0    0   30 o  325.987   43.130   33.733   10.176   33.733   10.176   33.733   10.176  325.987   60.994  325.987   60.994 -0.000000 0.000000 
1 1 1    0    0   34 o  273.111   35.221   23.875   6.9943   23.875   6.9943   23.875   6.9943  273.111   49.810  273.111   49.810 -0.000000 0.000000 
1 1 1    0    0   36 o  201.538   45.034   15.408   6.4358   15.408   6.4358   15.408   6.4358  201.538   63.688  201.538   63.688 -0.000000 0.000000 
1 1 1    0    0   38 o   57.001   28.508  -5.8001   5.3619  -5.8001   5.3619  -5.8001   5.3619   57.001   40.316   57.001   40.316 -0.000000 0.000000 
1 1 1    0    0   40 o   72.457   34.178  -0.1256   5.4429  -0.1256   5.4429  -0.1256   5.4429   72.457   48.335   72.457   48.335 0.000000 0.000000 
1 1 1    0    1    3 o  883.533   10.501  222.879   7.4780  222.879   7.4780  222.879   7.4780  883.533   14.851  883.533   14.851 0.000000 0.000000 
1 1 1    0    1    5 o  550.780   10.315   86.717   4.5746   86.717   4.5746   86.717   4.5746  550.780   14.587  550.780   14.587 0.000000 0.000000 
1 1 1    0    1    7 o  527.334   10.369   79.500   4.4022   79.500   4.4022   79.500   4.4022  527.334   14.664  527.334   14.664 0.000000 0.000000 
1 1 1    0    1    9 o  920.449   10.641  241.831   7.8944  241.831   7.8944  241.831   7.8944  920.449   15.048  920.449   15.048 0.000000 0.000000 
1 1 1    0    1   11 o  578.951   8.6028   95.716   4.0129   95.716   4.0129   95.716   4.0129  578.951   12.166  578.951   12.166 -0.000000 0.000000 
1 1 1    0    1   13 o  617.011   10.577  108.780   5.2564  108.780   5.2564  108.780   5.2564  617.011   14.958  617.011   14.958 0.000000 0.000000 
1 1 1    0    1   15 o   55.799   24.289   0.6806   2.1270   0.6806   2.1270   0.6806   2.1270   55.799   34.350   55.799   34.350 -0.000000 0.000000 
1 1 1    0    1   17 o  134.551   24.949   6.1347   2.3393   6.1347   2.3393   6.1347   2.3393  134.551   35.283  134.551   35.283 -0.000000 0.000000 
1 1 1    0    1   19 o  391.415   7.6530   43.811   2.4117   43.811   2.4117   43.811   2.4117  391.415   10.823  391.415   10.823 -0.000000 0.000000 
1 1 1    0    1   21 o  388.710   11.795   43.371   3.6821   43.371   3.6821   43.371   3.6821  388.710   16.680  388.710   16.680 0.000000 0.000000 
1 1 1    0    1   23 o  736.541   23.170  156.146   13.701  156.146   13.701  156.146   13.701  736.541   32.767  736.541   32.767 -0.000000 0.000000 
1 1 1    0    1   25 o  164.540   35.304   9.6271   4.0890   9.6271   4.0890   9.6271   4.0890  164.540   49.927  164.540   49.927 -0.000000 0.000000 
1 1 1    0    1   27 o  109.280   34.900   4.9804   3.3057   4.9804   3.3057   4.9804   3.3057  109.280   49.356  109.280   49.356 0.000000 0.000000 
1 1 1    0    1   29 o  309.813   16.174   27.917   3.9908   27.917   3.9908   27.917   3.9908  309.813   22.874  309.813   22.874 -0.000000 0.000000 
1 1 1    0    1   33 o   56.857   27.722  -2.9355   4.2367  -2.9355   4.2367  -2.9355   4.2367   56.857   39.204   56.857   39.204 -0.000000 0.000000 
1 1 1    0    1   35 o   78.750   34.253   1.9139   4.2227   1.9139   4.2227   1.9139   4.2227   78.750   48.441   78.750   48.441 0.000000 0.000000 
1 1 1    0    1   37 o   82.020   33.661   3.0042   3.6465   3.0042   3.6465   3.0042   3.6465   82.020   47.603   82.020   47.603 -0.000000 0.000000 
1 1 1    0    1   39 o   85.434   35.325   3.9103   4.0624   3.9103   4.0624   3.9103   4.0624   85.434   49.958   85.434   49.958 0.000000 0.000000 
1 1 1    0    1   41 o   49.390   24.650  -2.4599   3.9401  -2.4599   3.9401  -2.4599   3.9401   49.390   34.860   49.390   34.860 0.000000 0.000000 
1 1 1    0    2    2 f  357.957   14.552   36.929   4.1694   36.929   4.1694   36.929   4.1694  357.957   20.580  357.957   20.580 0.000000 0.000000 
1 1 1    0    2    4 o  707.039   10.391  142.788   5.9198  142.788   5.9198  142.788   5.9198  707.039   14.696  707.039   14.696 -0.000000 0.000000 
1 1 1    0    2    6 o  193.824   10.741   10.912   1.6553   10.912   1.6553   10.912   1.6553  193.824   15.190  193.824   15.190 0.000000 0.000000 
1 1 1    0    2    8 o  646.204   10.443  119.286   5.4364  119.286   5.4364  119.286   5.4364  646.204   14.769  646.204   14.769 -0.000000 0.000000 
1 1 1    0    2   10 o  138.245   12.685   5.7206   1.3486   5.7206   1.3486   5.7206   1.3486  138.245   17.939  138.245   17.939 0.000000 0.000000 
1 1 1    0    2   12 o  1481.49   11.316  626.244   13.517  626.244   13.517  626.244   13.517  1481.49   16.003  1481.49   16.003 0.000000 0.000000 
1 1 1    0    2   14 o  993.548   15.325  282.126   12.267  282.126   12.267  282.126   12.267  993.548   21.673  993.548   21.673 -0.000000 0.000000 
1 1 1    0    2   16 o  1160.06   15.579  384.779   14.564  384.779   14.564  384.779   14.564  1160.06   22.032  1160.06   22.032 -0.000000 0.000000 
1 1 1    0    2   18 o  584.914   10.835   97.867   5.1033   97.867   5.1033   97.867   5.1033  584.914   15.323  584.914   15.323 0.000000 0.000000 
1 1 1    0    2   20 o  407.883   11.334   47.714   3.7154   47.714   3.7154   47.714   3.7154  407.883   16.029  407.883   16.029 0.000000 0.000000 
1 1 1    0    2   22 o   69.903   31.119   0.6564   3.6970   0.6564   3.6970   0.6564   3.6970   69.903   44.009   69.903   44.009 0.000000 0.000000 
1 1 1    0    2   24 o  216.486   23.882   14.344   3.8673   14.344   3.8673   14.344   3.8673  216.486   33.775  216.486   33.775 0.000000 0.000000 
1 1 1    0    2   26 o  879.017   12.362  220.849   8.7558  220.849   8.7558  220.849   8.7558  879.017   17.482  879.017   17.482 -0.000000 0.000000 
1 1 1    0    2   28 o  165.927   38.112   10.094   4.5117   10.094   4.5117   10.094   4.5117  165.927   53.898  165.927   53.898 -0.000000 0.000000 
1 1 1    0    2   30 o  160.378   52.162   11.146   7.3987   11.146   7.3987   11.146   7.3987  160.378   73.768  160.378   73.768 0.000000 0.000000 
1 1 1    0    2   32 o   72.917   33.314   0.1392   4.5815   0.1392   4.5815   0.1392   4.5815   72.917   47.113   72.917   47.113 -0.000000 0.000000 
1 1 1    0    2   34 o  211.252   32.142   14.932   4.8060   14.932   4.8060   14.932   4.8060  211.252   45.456  211.252   45.456 -0.000000 0.000000 
1 1 1    0    2   36 o   90.442   35.951   3.7380   3.9747   3.7380   3.9747   3.7380   3.9747   90.442   50.843   90.442   50.843 -0.000000 0.000000 
1 1 1    0    2   38 o   66.154   30.756   0.3981   4.1539   0.3981   4.1539   0.3981   4.1539   66.154   43.495   66.154   43.495 -0.000000 0.000000 
1 1 1    0    2   40 o   90.711   36.734   5.0996   4.2532   5.0996   4.2532   5.0996   4.2532   90.711   51.949   90.711   51.949 -0.000000 0.000000 
1 1 1    0    3    1 o  488.607   20.735   68.923   8.1035   68.923   8.1035   68.923   8.1035  488.607   29.324  488.607   29.324 0.000000 0.000000 
1 1 1    0    3    3 o  379.226   14.594   41.404   4.4333   41.404   4.4333   41.404   4.4333  379.226   20.639  379.226   20.639 0.000000 0.000000 
1 1 1    0    3    5 o  575.268   11.963   94.653   5.5393   94.653   5.5393   94.653   5.5393  575.268   16.918  575.268   16.918 0.000000 0.000000 
1 1 1    0    3    7 o  353.107   10.428   35.749   2.9578   35.749   2.9578   35.749   2.9578  353.107   14.747  353.107   14.747 0.000000 0.000000 
1 1 1    0    3    9 f  2089.34   12.238  1245.38   20.619  1245.38   20.619  1245.38   20.619  2089.34   17.307  2089.34   17.307 0.000000 0.000000 
1 1 1    0    3   11 o  541.293   10.514   83.755   4.5822   83.755   4.5822   83.755   4.5822  541.293   14.869  541.293   14.869 0.000000 0.000000 
1 1 1    0    3   13 o  630.713   12.252  113.738   6.2214  113.738   6.2214  113.738   6.2214  630.713   17.326  630.713   17.326 0.000000 0.000000 
1 1 1    0    3   15 o  378.508   15.618   41.321   4.7306   41.321   4.7306   41.321   4.7306  378.508   22.087  378.508   22.087 0.000000 0.000000 
1 1 1    0    3   17 o  615.460   15.273  108.627   7.5597  108.627   7.5597  108.627   7.5597  615.460   21.599  615.460   21.599 -0.000000 0.000000 
1 1 1    0    3   19 o  552.229   10.936   87.264   4.8622   87.264   4.8622   87.264   4.8622  552.229   15.466  552.229   15.466 0.000000 0.000000 
1 1 1    0    3   21 o   60.809   28.126  -0.4440   3.4094  -0.4440   3.4094  -0.4440   3.4094   60.809   39.777   60.809   39.777 0.000000 0.000000 
1 1 1    0    3   23 f  848.754   11.521  205.815   7.8800  205.815   7.8800  205.815   7.8800  848.754   16.294  848.754   16.294 0.000000 0.000000 
1 1 1    0    3   25 o  130.510   44.623   7.2294   5.4704   7.2294   5.4704   7.2294   5.4704  130.510   63.107  130.510   63.107 -0.000000 0.000000 
1 1 1    0    3   27 o   95.622   37.577   3.6206   4.2825   3.6206   4.2825   3.6206   4.2825   95.622   53.142   95.622   53.142 0.000000 0.000000 
1 1 1    0    3   29 o  562.643   22.344   91.784   10.066   91.784   10.066   91.784   10.066  562.643   31.600  562.643   31.600 -0.000000 0.000000 
1 1 1    0    3   31 o   80.470   36.444   0.4941   5.3307   0.4941   5.3307   0.4941   5.3307   80.470   51.539   80.470   51.539 0.000000 0.000000 
1 1 1    0    3   33 f  126.603   48.403   7.3739   6.9009   7.3739   6.9009   7.3739   6.9009  126.603   68.453  126.603   68.453 0.000000 0.000000 
1 1 1    0    3   35 o   67.853   31.672  -0.3765   4.4752  -0.3765   4.4752  -0.3765   4.4752   67.853   44.791   67.853   44.791 0.000000 0.000000 
1 1 1    0    3   37 o   68.782   29.738   1.6443   3.1402   1.6443   3.1402   1.6443   3.1402   68.782   42.056   68.782   42.056 -0.000000 0.000000 
1 1 1    0    3   39 o   96.178   37.626   5.2852   4.2719   5.2852   4.2719   5.2852   4.2719   96.178   53.211   96.178   53.211 0.000000 0.000000 
1 1 1    0    3   41 o   44.384   22.408  -3.4570   3.6070  -3.4570   3.6070  -3.4570   3.6070   44.384   31.690   44.384   31.690 -0.000000 0.000000 
1 1 1    0    4    2 o   78.214   19.297   2.2833   1.1010   2.2833   1.1010   2.2833   1.1010   78.214   27.290   78.214   27.290 -0.000000 0.000000 
1 1 1    0    4    4 o  476.133   14.577   65.052   5.5738   65.052   5.5738   65.052   5.5738  476.133   20.615  476.133   20.615 0.000000 0.000000 
1 1 1    0    4    6 o  1136.09   10.804  368.350   9.8952  368.350   9.8952  368.350   9.8952  1136.09   15.279  1136.09   15.279 -0.000000 0.000000 
1 1 1    0    4    8 o  749.990   12.143  160.690   7.3360  160.690   7.3360  160.690   7.3360  749.990   17.172  749.990   17.172 -0.000000 0.000000 
1 1 1    0    4   10 o  865.823   10.637  213.999   7.4227  213.999   7.4227  213.999   7.4227  865.823   15.043  865.823   15.043 -0.000000 0.000000 
1 1 1    0    4   12 o  2097.05   12.299  1254.70   20.799  1254.70   20.799  1254.70   20.799  2097.05   17.394  2097.05   17.394 0.000000 0.000000 
1 1 1    0    4   14 o  1173.88   15.566  393.757   14.725  393.757   14.725  393.757   14.725  1173.88   22.013  1173.88   22.013 0.000000 0.000000 
1 1 1    0    4   16 o   98.180   27.041   3.7769   2.0424   3.7769   2.0424   3.7769   2.0424   98.180   38.242   98.180   38.242 -0.000000 0.000000 
1 1 1    0    4   18 o  819.423   12.513  192.026   8.2605  192.026   8.2605  192.026   8.2605  819.423   17.695  819.423   17.695 0.000000 0.000000 
1 1 1    0    4   20 o  275.540   11.951   21.919   2.6329   21.919   2.6329   21.919   2.6329  275.540   16.901  275.540   16.901 -0.000000 0.000000 
1 1 1    0    4   22 o  126.165   27.521   5.6821   2.4504   5.6821   2.4504   5.6821   2.4504  126.165   38.921  126.165   38.921 0.000000 0.000000 
1 1 1    0    4   24 o  315.077   16.279   28.805   4.0860   28.805   4.0860   28.805   4.0860  315.077   23.022  315.077   23.022 0.000000 0.000000 
1 1 1    0    4   26 o  285.930   34.348   25.426   7.2343   25.426   7.2343   25.426   7.2343  285.930   48.575  285.930   48.575 0.000000 0.000000 
1 1 1    0    4   28 o   65.982   31.636  -2.5356   5.0317  -2.5356   5.0317  -2.5356   5.0317   65.982   44.740   65.982   44.740 -0.000000 0.000000 
1 1 1    0    4   30 o  130.749   51.259   7.2017   7.9471   7.2017   7.9471   7.2017   7.9471  130.749   72.491  130.749   72.491 -0.000000 0.000000 
1 1 1    0    4   32 o  173.290   52.324   12.995   7.4554   12.995   7.4554   12.995   7.4554  173.290   73.997  173.290   73.997 -0.000000 0.000000 
1 1 1    0    4   34 o   56.070   27.864  -4.8311   4.8677  -4.8311   4.8677  -4.8311   4.8677   56.070   39.405   56.070   39.405 0.000000 0.000000 
1 1 1    0    4   36 f   89.419   37.647   3.3757   4.7640   3.3757   4.7640   3.3757   4.7640   89.419   53.240   89.419   53.240 0.000000 0.000000 
1 1 1    0    4   38 o   55.399   27.184  -2.4310   4.2400  -2.4310   4.2400  -2.4310   4.2400   55.399   38.444   55.399   38.444 -0.000000 0.000000 
1 1 1    0    4   40 o  151.412   39.413   11.167   4.4533   11.167   4.4533   11.167   4.4533  151.412   55.739  151.412   55.739 0.000000 0.000000 
1 1 1    0    5    1 o  389.678   6.7583   43.384   2.1211   43.384   2.1211   43.384   2.1211  389.678   9.5577  389.678   9.5577 -0.000000 0.000000 
1 1 1    0    5    3 o  1714.68   16.357  839.569   22.610  839.569   22.610  839.569   22.610  1714.68   23.132  1714.68   23.132 0.000000 0.000000 
1 1 1    0    5    5 o  746.593   14.811  159.409   8.9025  159.409   8.9025  159.409   8.9025  746.593   20.946  746.593   20.946 0.000000 0.000000 
1 1 1    0    5    7 o  158.263   3.8705   7.1679   0.4927   7.1679   0.4927   7.1679   0.4927  158.263   5.4737  158.263   5.4737 -0.000000 0.000000 
1 1 1    0    5    9 o  865.417   12.265  213.877   8.5531  213.877   8.5531  213.877   8.5531  865.417   17.346  865.417   17.346 -0.000000 0.000000 
1 1 1    0    5   11 o  1511.41   11.357  651.786   13.840  651.786   13.840  651.786   13.840  1511.41   16.061  1511.41   16.061 -0.000000 0.000000 
1 1 1    0    5   13 o  994.010   15.301  282.373   12.254  282.373   12.254  282.373   12.254  994.010   21.640  994.010   21.640 -0.000000 0.000000 
1 1 1    0    5   15 f  466.216   7.5385   62.097   2.8312   62.097   2.8312   62.097   2.8312  466.216   10.661  466.216   10.661 -0.000000 0.000000 
1 1 1    0    5   17 o  918.037   15.366  241.250   11.362  241.250   11.362  241.250   11.362  918.037   21.730  918.037   21.730 -0.000000 0.000000 
1 1 1    0    5   19 o   96.004   25.169   3.5382   1.8095   3.5382   1.8095   3.5382   1.8095   96.004   35.595   96.004   35.595 0.000000 0.000000 
1 1 1    0    5   21 o  103.912   27.952   4.1896   2.2033   4.1896   2.2033   4.1896   2.2033  103.912   39.529  103.912   39.529 0.000000 0.000000 
1 1 1    0    5   23 o  812.102   11.409  188.432   7.4659  188.432   7.4659  188.432   7.4659  812.102   16.135  812.102   16.135 -0.000000 0.000000 
1 1 1    0    5   25 f  218.903   27.563   14.957   4.4064   14.957   4.4064   14.957   4.4064  218.903   38.981  218.903   38.981 -0.000000 0.000000 
1 1 1    0    5   27 o  344.468   29.019   35.533   7.7598   35.533   7.7598   35.533   7.7598  344.468   41.039  344.468   41.039 0.000000 0.000000 
1 1 1    0    5   29 o  365.555   30.684   40.221   8.7103   40.221   8.7103   40.221   8.7103  365.555   43.393  365.555   43.393 0.000000 0.000000 
1 1 1    0    5   31 o  210.111   31.285   14.386   4.6667   14.386   4.6667   14.386   4.6667  210.111   44.244  210.111   44.244 0.000000 0.000000 
1 1 1    0    5   33 o   64.297   32.040  -6.8602   6.5766  -6.8602   6.5766  -6.8602   6.5766   64.297   45.312   64.297   45.312 0.000000 0.000000 
1 1 1    0    5   35 f   63.294   30.042  -1.1237   4.3216  -1.1237   4.3216  -1.1237   4.3216   63.294   42.486   63.294   42.486 -0.000000 0.000000 
1 1 1    0    5   37 o   58.616   28.274  -1.5671   4.1460  -1.5671   4.1460  -1.5671   4.1460   58.616   39.986   58.616   39.986 0.000000 0.000000 
1 1 1    0    5   39 o  141.233   41.957   10.277   4.8067   10.277   4.8067   10.277   4.8067  141.233   59.336  141.233   59.336 -0.000000 0.000000 
1 1 1    0    5   41 o   60.112   28.884   0.5071   4.2414   0.5071   4.2414   0.5071   4.2414   60.112   40.848   60.112   40.848 -0.000000 0.000000 
1 1 1    0    6    2 o  1342.79   15.619  514.943   16.904  514.943   16.904  514.943   16.904  1342.79   22.088  1342.79   22.088 0.000000 0.000000 
1 1 1    0    6    4 o   93.455   20.563   3.1192   1.3582   3.1192   1.3582   3.1192   1.3582   93.455   29.080   93.455   29.080 -0.000000 0.000000 
1 1 1    0    6    6 o   84.437   21.421   2.6908   1.3340   2.6908   1.3340   2.6908   1.3340   84.437   30.295   84.437   30.295 0.000000 0.000000 
1 1 1    0    6    8 o  345.388   12.233   34.281   3.3881   34.281   3.3881   34.281   3.3881  345.388   17.300  345.388   17.300 -0.000000 0.000000 
1 1 1    0    6   10 o  387.804   10.645   43.087   3.3181   43.087   3.3181   43.087   3.3181  387.804   15.055  387.804   15.055 -0.000000 0.000000 
1 1 1    0    6   12 o  1934.05   17.020  1068.04   26.538  1068.04   26.538  1068.04   26.538  1934.05   24.069  1934.05   24.069 -0.000000 0.000000 
1 1 1    0    6   14 o  621.694   9.2868  110.407   4.6517  110.407   4.6517  110.407   4.6517  621.694   13.133  621.694   13.133 0.000000 0.000000 
1 1 1    0    6   16 o  303.345   5.9974   26.308   1.4647   26.308   1.4647   26.308   1.4647  303.345   8.4815  303.345   8.4815 0.000000 0.000000 
1 1 1    0    6   18 o  683.380   15.934  133.934   8.7606  133.934   8.7606  133.934   8.7606  683.380   22.535  683.380   22.535 -0.000000 0.000000 
1 1 1    0    6   20 o  307.399   9.9516   27.136   2.4554   27.136   2.4554   27.136   2.4554  307.399   14.074  307.399   14.074 0.000000 0.000000 
1 1 1    0    6   22 o  191.320   16.193   10.895   2.4039   10.895   2.4039   10.895   2.4039  191.320   22.900  191.320   22.900 0.000000 0.000000 
1 1 1    0    6   24 o  398.720   15.216   45.794   4.8604   45.794   4.8604   45.794   4.8604  398.720   21.518  398.720   21.518 0.000000 0.000000 
1 1 1    0    6   26 o   66.509   30.687  -0.4167   4.0216  -0.4167   4.0216  -0.4167   4.0216   66.509   43.399   66.509   43.399 0.000000 0.000000 
1 1 1    0    6   28 o   99.213   38.879   3.9564   4.5700   3.9564   4.5700   3.9564   4.5700   99.213   54.984   99.213   54.984 -0.000000 0.000000 
1 1 1    0    6   30 o  304.129   24.488   27.698   5.8053   27.698   5.8053   27.698   5.8053  304.129   34.632  304.129   34.632 0.000000 0.000000 
1 1 1    0    6   32 o  196.666   29.826   12.717   4.1536   12.717   4.1536   12.717   4.1536  196.666   42.180  196.666   42.180 0.000000 0.000000 
1 1 1    0    6   34 o  111.920   43.882   5.8250   5.8251   5.8250   5.8251   5.8250   5.8251  111.920   62.059  111.920   62.059 -0.000000 0.000000 
1 1 1    0    6   36 o   55.990   27.658  -3.6275   4.5902  -3.6275   4.5902  -3.6275   4.5902   55.990   39.115   55.990   39.115 -0.000000 0.000000 
1 1 1    0    6   38 o   54.981   27.195  -3.0398   4.4799  -3.0398   4.4799  -3.0398   4.4799   54.981   38.460   54.981   38.460 -0.000000 0.000000 
1 1 1    0    6   40 o   67.140   31.564   1.3497   4.5746   1.3497   4.5746   1.3497   4.5746   67.140   44.639   67.140   44.639 0.000000 0.000000 
1 1 1    0    7    1 f  1106.80   15.249  349.919   13.600  349.919   13.600  349.919   13.600  1106.80   21.565  1106.80   21.565 -0.000000 0.000000 
1 1 1    0    7    3 o  1714.33   16.385  839.064   22.645  839.064   22.645  839.064   22.645  1714.33   23.172  1714.33   23.172 -0.000000 0.000000 
1 1 1    0    7    5 o  294.914   15.047   25.197   3.5361   25.197   3.5361   25.197   3.5361  294.914   21.280  294.914   21.280 0.000000 0.000000 
1 1 1    0    7    7 o  902.590   21.317  233.280   15.478  233.280   15.478  233.280   15.478  902.590   30.147  902.590   30.147 -0.000000 0.000000 
1 1 1    0    7    9 o  946.821   12.373  255.966   9.4411  255.966   9.4411  255.966   9.4411  946.821   17.498  946.821   17.498 -0.000000 0.000000 
1 1 1    0    7   11 o  2818.60   19.447  2268.36   44.198  2268.36   44.198  2268.36   44.198  2818.60   27.502  2818.60   27.502 -0.000000 0.000000 
1 1 1    0    7   13 o  114.212   9.6807   3.8786   0.8578   3.8786   0.8578   3.8786   0.8578  114.212   13.691  114.212   13.691 -0.000000 0.000000 
1 1 1    0    7   15 o  340.183   6.5975   33.083   1.8070   33.083   1.8070   33.083   1.8070  340.183   9.3302  340.183   9.3302 0.000000 0.000000 
1 1 1    0    7   17 o  891.663   15.369  227.640   11.038  227.640   11.038  227.640   11.038  891.663   21.735  891.663   21.735 -0.000000 0.000000 
1 1 1    0    7   19 o  357.378   10.735   36.653   3.0814   36.653   3.0814   36.653   3.0814  357.378   15.181  357.378   15.181 0.000000 0.000000 
1 1 1    0    7   21 o  433.818   9.5215   53.854   3.3241   53.854   3.3241   53.854   3.3241  433.818   13.465  433.818   13.465 -0.000000 0.000000 
1 1 1    0    7   23 o  242.683   13.693   17.131   2.6409   17.131   2.6409   17.131   2.6409  242.683   19.365  242.683   19.365 -0.000000 0.000000 
1 1 1    0    7   25 o  781.482   12.612  174.628   7.9395  174.628   7.9395  174.628   7.9395  781.482   17.836  781.482   17.836 0.000000 0.000000 
1 1 1    0    7   27 o  285.197   22.722   24.197   5.0556   24.197   5.0556   24.197   5.0556  285.197   32.134  285.197   32.134 -0.000000 0.000000 
1 1 1    0    7   29 o  160.439   47.317   10.635   6.1207   10.635   6.1207   10.635   6.1207  160.439   66.916  160.439   66.916 -0.000000 0.000000 
1 1 1    0    7   31 o  109.975   41.594   5.2486   5.0444   5.2486   5.0444   5.2486   5.0444  109.975   58.823  109.975   58.823 0.000000 0.000000 
1 1 1    0    7   33 o  115.794   41.242   6.1308   4.7553   6.1308   4.7553   6.1308   4.7553  115.794   58.325  115.794   58.325 -0.000000 0.000000 
1 1 1    0    7   35 o  139.527   42.890   8.8715   4.9973   8.8715   4.9973   8.8715   4.9973  139.527   60.655  139.527   60.655 0.000000 0.000000 
1 1 1    0    7   37 o   74.372   33.777   1.3913   4.6186   1.3913   4.6186   1.3913   4.6186   74.372   47.768   74.372   47.768 0.000000 0.000000 
1 1 1    0    7   39 o  123.031   39.035   8.0452   4.1348   8.0452   4.1348   8.0452   4.1348  123.031   55.204  123.031   55.204 0.000000 0.000000 
1 1 1    0    8    2 o  1017.91   15.146  295.991   12.422  295.991   12.422  295.991   12.422  1017.91   21.420  1017.91   21.420 0.000000 0.000000 
1 1 1    0    8    4 o  427.952   14.802   52.620   5.0809   52.620   5.0809   52.620   5.0809  427.952   20.933  427.952   20.933 -0.000000 0.000000 
1 1 1    0    8    6 o  1065.68   15.250  324.373   13.095  324.373   13.095  324.373   13.095  1065.68   21.567  1065.68   21.567 -0.000000 0.000000 
1 1 1    0    8    8 f  782.433   14.969  175.029   9.4305  175.029   9.4305  175.029   9.4305  782.433   21.170  782.433   21.170 0.000000 0.000000 
1 1 1    0    8   10 o  393.270   21.895   44.970   6.8454   44.970   6.8454   44.970   6.8454  393.270   30.964  393.270   30.964 0.000000 0.000000 
1 1 1    0    8   12 o  111.199   9.5216   3.6794   0.8206   3.6794   0.8206   3.6794   0.8206  111.199   13.466  111.199   13.466 0.000000 0.000000 
1 1 1    0    8   14 o  472.617   10.730   63.939   4.0805   63.939   4.0805   63.939   4.0805  472.617   15.175  472.617   15.175 -0.000000 0.000000 
1 1 1    0    8   16 o  289.320   16.552   24.394   3.8041   24.394   3.8041   24.394   3.8041  289.320   23.408  289.320   23.408 -0.000000 0.000000 
1 1 1    0    8   18 o  343.863   19.085   34.449   5.2178   34.449   5.2178   34.449   5.2178  343.863   26.990  343.863   26.990 -0.000000 0.000000 
1 1 1    0    8   20 o  1112.94   11.174  353.747   10.025  353.747   10.025  353.747   10.025  1112.94   15.803  1112.94   15.803 -0.000000 0.000000 
1 1 1    0    8   22 o  417.433   9.6779   49.876   3.2503   49.876   3.2503   49.876   3.2503  417.433   13.687  417.433   13.687 0.000000 0.000000 
1 1 1    0    8   24 o  705.036   12.869  142.184   7.3063  142.184   7.3063  142.184   7.3063  705.036   18.199  705.036   18.199 -0.000000 0.000000 
1 1 1    0    8   26 o  488.689   21.518   69.197   8.4054   69.197   8.4054   69.197   8.4054  488.689   30.430  488.689   30.430 0.000000 0.000000 
1 1 1    0    8   28 o  237.449   33.791   18.113   5.7360   18.113   5.7360   18.113   5.7360  237.449   47.788  237.449   47.788 0.000000 0.000000 
1 1 1    0    8   30 o   75.045   33.025   1.1518   4.0395   1.1518   4.0395   1.1518   4.0395   75.045   46.705   75.045   46.705 0.000000 0.000000 
1 1 1    0    8   32 o  106.334   34.827   4.9067   3.3006   4.9067   3.3006   4.9067   3.3006  106.334   49.252  106.334   49.252 0.000000 0.000000 
1 1 1    0    8   34 o  229.959   44.870   19.740   7.1969   19.740   7.1969   19.740   7.1969  229.959   63.456  229.959   63.456 -0.000000 0.000000 
1 1 1    0    8   36 o   60.015   29.193  -2.3328   4.6343  -2.3328   4.6343  -2.3328   4.6343   60.015   41.286   60.015   41.286 -0.000000 0.000000 
1 1 1    0    8   38 o   75.104   32.840   2.4452   3.9300   2.4452   3.9300   2.4452   3.9300   75.104   46.443   75.104   46.443 -0.000000 0.000000 
1 1 1    0    8   40 f   78.318   34.913   3.8316   4.6711   3.8316   4.6711   3.8316   4.6711   78.318   49.374   78.318   49.374 -0.000000 0.000000 
1 1 1    0    9    1 o  889.670   15.007  226.185   10.754  226.185   10.754  226.185   10.754  889.670   21.223  889.670   21.223 0.000000 0.000000 
1 1 1    0    9    3 o  623.082   10.765  110.925   5.4024  110.925   5.4024  110.925   5.4024  623.082   15.224  623.082   15.224 -0.000000 0.000000 
1 1 1    0    9    5 o  857.026   15.008  209.914   10.359  209.914   10.359  209.914   10.359  857.026   21.225  857.026   21.225 -0.000000 0.000000 
1 1 1    0    9    7 o  1393.59   22.383  555.211   25.128  555.211   25.128  555.211   25.128  1393.59   31.654  1393.59   31.654 0.000000 0.000000 
1 1 1    0    9   11 o  1082.22   15.419  334.674   13.445  334.674   13.445  334.674   13.445  1082.22   21.805  1082.22   21.805 -0.000000 0.000000 
1 1 1    0    9   13 o   94.418   23.004   3.3143   1.5768   3.3143   1.5768   3.3143   1.5768   94.418   32.532   94.418   32.532 -0.000000 0.000000 
1 1 1    0    9   15 o  160.223   6.6964   7.3994   0.8584   7.3994   0.8584   7.3994   0.8584  160.223   9.4701  160.223   9.4701 0.000000 0.000000 
1 1 1    0    9   17 o  268.754   21.243   21.443   4.4571   21.443   4.4571   21.443   4.4571  268.754   30.043  268.754   30.043 0.000000 0.000000 
1 1 1    0    9   19 o  134.732   18.709   5.7483   1.8092   5.7483   1.8092   5.7483   1.8092  134.732   26.458  134.732   26.458 -0.000000 0.000000 
1 1 1    0    9   21 o  299.952   14.414   26.043   3.4500   26.043   3.4500   26.043   3.4500  299.952   20.385  299.952   20.385 0.000000 0.000000 
1 1 1    0    9   23 o  287.190   17.980   24.115   4.0894   24.115   4.0894   24.115   4.0894  287.190   25.428  287.190   25.428 0.000000 0.000000 
1 1 1    0    9   25 o  581.069   15.317   96.874   7.1555   96.874   7.1555   96.874   7.1555  581.069   21.662  581.069   21.662 0.000000 0.000000 
1 1 1    0    9   27 o  308.877   26.650   28.637   6.3747   28.637   6.3747   28.637   6.3747  308.877   37.688  308.877   37.688 -0.000000 0.000000 
1 1 1    0    9   29 o  241.830   49.124   20.929   8.3079   20.929   8.3079   20.929   8.3079  241.830   69.471  241.830   69.471 -0.000000 0.000000 
1 1 1    0    9   31 o  124.243   43.481   6.8863   5.2427   6.8863   5.2427   6.8863   5.2427  124.243   61.492  124.243   61.492 -0.000000 0.000000 
1 1 1    0    9   33 o  178.920   38.883   12.001   4.9067   12.001   4.9067   12.001   4.9067  178.920   54.989  178.920   54.989 0.000000 0.000000 
1 1 1    0    9   35 o   74.379   33.626   1.0774   4.5139   1.0774   4.5139   1.0774   4.5139   74.379   47.555   74.379   47.555 0.000000 0.000000 
1 1 1    0    9   37 o   75.068   33.758   1.8081   4.4755   1.8081   4.4755   1.8081   4.4755   75.068   47.741   75.068   47.741 0.000000 0.000000 
1 1 1    0    9   39 o   70.214   31.726   2.1101   4.0112   2.1101   4.0112   2.1101   4.0112   70.214   44.867   70.214   44.867 0.000000 0.000000 
1 1 1    0   10    0 o  932.116   21.351  248.633   16.013  248.633   16.013  248.633   16.013  932.116   30.195  932.116   30.195 0.000000 0.000000 
1 1 1    0   10    2 o  440.922   14.866   55.836   5.2590   55.836   5.2590   55.836   5.2590  440.922   21.023  440.922   21.023 0.000000 0.000000 
1 1 1    0   10    4 o  406.192   14.933   47.447   4.8618   47.447   4.8618   47.447   4.8618  406.192   21.118  406.192   21.118 -0.000000 0.000000 
1 1 1    0   10   10 o  405.690   9.9673   47.118   3.2523   47.118   3.2523   47.118   3.2523  405.690   14.096  405.690   14.096 0.000000 0.000000 
1 1 1    0   10   12 o  623.633   9.9219  111.131   4.9847  111.131   4.9847  111.131   4.9847  623.633   14.032  623.633   14.032 0.000000 0.000000 
1 1 1    0   10   14 o  768.553   10.190  168.757   6.3111  168.757   6.3111  168.757   6.3111  768.553   14.411  768.553   14.411 0.000000 0.000000 
1 1 1    0   10   16 o  148.076   19.858   6.9063   2.1232   6.9063   2.1232   6.9063   2.1232  148.076   28.084  148.076   28.084 -0.000000 0.000000 
1 1 1    0   10   18 f  504.648   9.5229   72.831   3.8696   72.831   3.8696   72.831   3.8696  504.648   13.467  504.648   13.467 0.000000 0.000000 
1 1 1    0   10   20 o  1208.56   11.511  417.103   11.215  417.103   11.215  417.103   11.215  1208.56   16.278  1208.56   16.278 0.000000 0.000000 
1 1 1    0   10   22 o  474.651   12.861   64.590   4.9071   64.590   4.9071   64.590   4.9071  474.651   18.189  474.651   18.189 -0.000000 0.000000 
1 1 1    0   10   24 o  869.595   18.078  216.732   12.654  216.732   12.654  216.732   12.654  869.595   25.566  869.595   25.566 -0.000000 0.000000 
1 1 1    0   10   26 o  710.393   19.317  145.169   11.030  145.169   11.030  145.169   11.030  710.393   27.318  710.393   27.318 -0.000000 0.000000 
1 1 1    0   10   28 o  208.018   29.470   13.873   4.3855   13.873   4.3855   13.873   4.3855  208.018   41.676  208.018   41.676 -0.000000 0.000000 
1 1 1    0   10   30 o  173.009   55.329   13.222   8.3097   13.222   8.3097   13.222   8.3097  173.009   78.247  173.009   78.247 -0.000000 0.000000 
1 1 1    0   10   32 o  205.284   27.955   13.641   4.1328   13.641   4.1328   13.641   4.1328  205.284   39.534  205.284   39.534 0.000000 0.000000 
1 1 1    0   10   34 o  129.214   47.828   8.4044   6.5551   8.4044   6.5551   8.4044   6.5551  129.214   67.640  129.214   67.640 0.000000 0.000000 
1 1 1    0   10   36 o   66.598   31.346  -0.2513   4.5345  -0.2513   4.5345  -0.2513   4.5345   66.598   44.329   66.598   44.329 -0.000000 0.000000 
1 1 1    0   10   38 o   65.928   31.072   0.4659   4.4826   0.4659   4.4826   0.4659   4.4826   65.928   43.943   65.928   43.943 0.000000 0.000000 
1 1 1    0   10   40 o   89.784   41.634   7.7468   7.5410   7.7468   7.5410   7.7468   7.5410   89.784   58.880   89.784   58.880 -0.000000 0.000000 
1 1 1    0   11    3 o  555.020   14.870   88.256   6.6347   88.256   6.6347   88.256   6.6347  555.020   21.030  555.020   21.030 -0.000000 0.000000 
1 1 1    0   11    9 o  864.727   13.538  213.681   9.4308  213.681   9.4308  213.681   9.4308  864.727   19.145  864.727   19.145 0.000000 0.000000 
1 1 1    0   11   11 o  151.006   21.188   7.2332   2.2925   7.2332   2.2925   7.2332   2.2925  151.006   29.964  151.006   29.964 0.000000 0.000000 
1 1 1    0   11   13 f  787.224   13.041  177.254   8.2697  177.254   8.2697  177.254   8.2697  787.224   18.443  787.224   18.443 -0.000000 0.000000 
1 1 1    0   11   15 o  628.951   15.977  113.520   8.0807  113.520   8.0807  113.520   8.0807  628.951   22.595  628.951   22.595 -0.000000 0.000000 
1 1 1    0   11   17 o  1309.63   14.663  490.383   15.479  490.383   15.479  490.383   15.479  1309.63   20.737  1309.63   20.737 -0.000000 0.000000 
1 1 1    0   11   19 o  635.237   11.319  115.392   5.7905  115.392   5.7905  115.392   5.7905  635.237   16.007  635.237   16.007 0.000000 0.000000 
1 1 1    0   11   21 o  978.210   11.467  273.303   9.0409  273.303   9.0409  273.303   9.0409  978.210   16.217  978.210   16.217 0.000000 0.000000 
1 1 1    0   11   23 o  476.057   13.308   65.006   5.0914   65.006   5.0914   65.006   5.0914  476.057   18.820  476.057   18.820 -0.000000 0.000000 
1 1 1    0   11   25 o  373.747   17.720   40.492   5.2863   40.492   5.2863   40.492   5.2863  373.747   25.060  373.747   25.060 0.000000 0.000000 
1 1 1    0   11   27 o  158.184   43.440   9.9401   5.2771   9.9401   5.2771   9.9401   5.2771  158.184   61.434  158.184   61.434 0.000000 0.000000 
1 1 1    0   11   29 o   84.791   37.874   1.0885   5.5279   1.0885   5.5279   1.0885   5.5279   84.791   53.562   84.791   53.562 -0.000000 0.000000 
1 1 1    0   11   31 f  224.932   52.994   19.862   8.5644   19.862   8.5644   19.862   8.5644  224.932   74.944  224.932   74.944 -0.000000 0.000000 
1 1 1    0   11   33 o   58.808   28.359  -2.0130   4.1646  -2.0130   4.1646  -2.0130   4.1646   58.808   40.106   58.808   40.106 -0.000000 0.000000 
1 1 1    0   11   35 o   76.753   34.579   1.4386   4.7227   1.4386   4.7227   1.4386   4.7227   76.753   48.902   76.753   48.902 0.000000 0.000000 
1 1 1    0   11   37 o   65.992   30.365   0.8543   3.8984   0.8543   3.8984   0.8543   3.8984   65.992   42.943   65.992   42.943 0.000000 0.000000 
1 1 1    0   11   39 o   73.872   34.523   2.5150   5.3431   2.5150   5.3431   2.5150   5.3431   73.872   48.823   73.872   48.823 -0.000000 0.000000 
1 1 1    0   12    0 o  889.886   21.399  226.704   15.318  226.704   15.318  226.704   15.318  889.886   30.263  889.886   30.263 0.000000 0.000000 
1 1 1    0   12    2 o  475.241   21.342   65.246   8.1045   65.246   8.1045   65.246   8.1045  475.241   30.183  475.241   30.183 -0.000000 0.000000 
1 1 1    0   12    6 o  1964.65   24.173  1103.63   38.276  1103.63   38.276  1103.63   38.276  1964.65   34.186  1964.65   34.186 -0.000000 0.000000 
1 1 1    0   12    8 o  303.120   15.704   26.646   3.7918   26.646   3.7918   26.646   3.7918  303.120   22.209  303.120   22.209 -0.000000 0.000000 
1 1 1    0   12   10 o  565.769   15.077   91.786   6.8574   91.786   6.8574   91.786   6.8574  565.769   21.322  565.769   21.322 -0.000000 0.000000 
1 1 1    0   12   12 o   94.720   26.584   3.5441   1.9592   3.5441   1.9592   3.5441   1.9592   94.720   37.596   94.720   37.596 -0.000000 0.000000 
1 1 1    0   12   14 o  1323.98   17.375  501.846   18.538  501.846   18.538  501.846   18.538  1323.98   24.572  1323.98   24.572 -0.000000 0.000000 
1 1 1    0   12   16 o  957.873   14.831  262.533   11.445  262.533   11.445  262.533   11.445  957.873   20.974  957.873   20.974 0.000000 0.000000 
1 1 1    0   12   18 o  860.575   11.725  211.631   8.1312  211.631   8.1312  211.631   8.1312  860.575   16.582  860.575   16.582 0.000000 0.000000 
1 1 1    0   12   20 o  534.894   14.333   82.040   6.1630   82.040   6.1630   82.040   6.1630  534.894   20.270  534.894   20.270 -0.000000 0.000000 
1 1 1    0   12   22 o  272.802   22.586   22.148   4.7911   22.148   4.7911   22.148   4.7911  272.802   31.941  272.802   31.941 0.000000 0.000000 
1 1 1    0   12   24 o   84.282   35.914   2.0355   4.4408   2.0355   4.4408   2.0355   4.4408   84.282   50.791   84.282   50.791 -0.000000 0.000000 
1 1 1    0   12   26 o  537.653   12.681   82.884   5.4849   82.884   5.4849   82.884   5.4849  537.653   17.934  537.653   17.934 0.000000 0.000000 
1 1 1    0   12   28 o  776.958   14.164  173.190   8.8624  173.190   8.8624  173.190   8.8624  776.958   20.031  776.958   20.031 0.000000 0.000000 
1 1 1    0   12   30 o   41.631   21.419  -8.8793   4.1142  -8.8793   4.1142  -8.8793   4.1142   41.631   30.290   41.631   30.290 0.000000 0.000000 
1 1 1    0   12   32 o  105.020   43.470   4.6464   6.1634   4.6464   6.1634   4.6464   6.1634  105.020   61.476  105.020   61.476 0.000000 0.000000 
1 1 1    0   12   34 o   70.182   34.155  -3.0747   6.3613  -3.0747   6.3613  -3.0747   6.3613   70.182   48.302   70.182   48.302 0.000000 0.000000 
1 1 1    0   12   36 o   46.149   23.546  -6.9611   4.4599  -6.9611   4.4599  -6.9611   4.4599   46.149   33.299   46.149   33.299 0.000000 0.000000 
1 1 1    0   12   38 o  126.020   49.919   12.600   7.6271   12.600   7.6271   12.600   7.6271  126.020   70.597  126.020   70.597 0.000000 0.000000 
1 1 1    0   13    5 o  164.404   8.7977   7.8408   1.1511   7.8408   1.1511   7.8408   1.1511  164.404   12.442  164.404   12.442 0.000000 0.000000 
1 1 1    0   13    9 o  1192.51   22.100  407.597   21.222  407.597   21.222  407.597   21.222  1192.51   31.254  1192.51   31.254 -0.000000 0.000000 
1 1 1    0   13   11 o   70.654   28.979   1.7487   2.7002   1.7487   2.7002   1.7487   2.7002   70.654   40.982   70.654   40.982 0.000000 0.000000 
1 1 1    0   13   13 o  432.918   11.509   53.737   4.0053   53.737   4.0053   53.737   4.0053  432.918   16.276  432.918   16.276 0.000000 0.000000 
1 1 1    0   13   15 o  1024.58   15.345  300.400   12.667  300.400   12.667  300.400   12.667  1024.58   21.701  1024.58   21.701 -0.000000 0.000000 
1 1 1    0   13   17 o  1017.86   12.613  296.063   10.347  296.063   10.347  296.063   10.347  1017.86   17.837  1017.86   17.837 -0.000000 0.000000 
1 1 1    0   13   19 o   89.762   33.166   3.3597   3.1478   3.3597   3.1478   3.3597   3.1478   89.762   46.904   89.762   46.904 -0.000000 0.000000 
1 1 1    0   13   21 o   81.328   32.061   2.5756   3.1286   2.5756   3.1286   2.5756   3.1286   81.328   45.342   81.328   45.342 -0.000000 0.000000 
1 1 1    0   13   23 o  554.191   20.499   88.602   9.1052   88.602   9.1052   88.602   9.1052  554.191   28.991  554.191   28.991 -0.000000 0.000000 
1 1 1    0   13   25 o  418.363   10.430   50.163   3.5092   50.163   3.5092   50.163   3.5092  418.363   14.750  418.363   14.750 0.000000 0.000000 
1 1 1    0   13   27 o  177.722   35.727   11.098   4.4367   11.098   4.4367   11.098   4.4367  177.722   50.525  177.722   50.525 -0.000000 0.000000 
1 1 1    0   13   29 o  211.915   38.321   15.478   5.6618   15.478   5.6618   15.478   5.6618  211.915   54.194  211.915   54.194 -0.000000 0.000000 
1 1 1    0   13   31 o  237.260   25.023   17.534   4.4744   17.534   4.4744   17.534   4.4744  237.260   35.387  237.260   35.387 0.000000 0.000000 
1 1 1    0   13   33 o  166.825   50.786   13.057   7.0141   13.057   7.0141   13.057   7.0141  166.825   71.822  166.825   71.822 -0.000000 0.000000 
1 1 1    0   13   35 f   78.096   35.144   1.7715   4.8611   1.7715   4.8611   1.7715   4.8611   78.096   49.701   78.096   49.701 -0.000000 0.000000 
1 1 1    0   13   37 o   75.203   33.407   2.4736   4.2349   2.4736   4.2349   2.4736   4.2349   75.203   47.245   75.203   47.245 -0.000000 0.000000 
1 1 1    0   13   39 o   72.534   35.130   2.2157   6.5461   2.2157   6.5461   2.2157   6.5461   72.534   49.682   72.534   49.682 -0.000000 0.000000 
1 1 1    0   14    2 o  177.169   6.8679   9.0324   0.9746   9.0324   0.9746   9.0324   0.9746  177.169   9.7126  177.169   9.7126 0.000000 0.000000 
1 1 1    0   14    4 o  1049.55   15.362  314.839   12.991  314.839   12.991  314.839   12.991  1049.55   21.725  1049.55   21.725 0.000000 0.000000 
1 1 1    0   14    6 o  1299.12   15.746  482.312   16.487  482.312   16.487  482.312   16.487  1299.12   22.269  1299.12   22.269 0.000000 0.000000 
1 1 1    0   14    8 o  435.137   15.308   54.477   5.3418   54.477   5.3418   54.477   5.3418  435.137   21.649  435.137   21.649 0.000000 0.000000 
1 1 1    0   14   10 o  617.058   15.718  109.227   7.7991  109.227   7.7991  109.227   7.7991  617.058   22.228  617.058   22.228 -0.000000 0.000000 
1 1 1    0   14   12 o  1256.24   16.977  451.775   17.186  451.775   17.186  451.775   17.186  1256.24   24.009  1256.24   24.009 0.000000 0.000000 
1 1 1    0   14   14 f  261.701   21.363   20.376   4.3526   20.376   4.3526   20.376   4.3526  261.701   30.211  261.701   30.211 0.000000 0.000000 
1 1 1    0   14   16 o  414.354   9.3557   49.140   3.1193   49.140   3.1193   49.140   3.1193  414.354   13.231  414.354   13.231 -0.000000 0.000000 
1 1 1    0   14   18 o   74.800   26.359   2.3564   1.9320   2.3564   1.9320   2.3564   1.9320   74.800   37.277   74.800   37.277 -0.000000 0.000000 
1 1 1    0   14   20 o  306.425   18.792   27.432   4.5638   27.432   4.5638   27.432   4.5638  306.425   26.576  306.425   26.576 0.000000 0.000000 
1 1 1    0   14   22 o  240.273   59.186   21.891   10.367   21.891   10.367   21.891   10.367  240.273   83.701  240.273   83.701 -0.000000 0.000000 
1 1 1    0   14   24 o  421.229   13.294   51.000   4.4959   51.000   4.4959   51.000   4.4959  421.229   18.801  421.229   18.801 -0.000000 0.000000 
1 1 1    0   14   26 o   66.862   30.284   0.2341   3.6821   0.2341   3.6821   0.2341   3.6821   66.862   42.828   66.862   42.828 -0.000000 0.000000 
1 1 1    0   14   28 f   65.232   31.624  -3.3362   5.3334  -3.3362   5.3334  -3.3362   5.3334   65.232   44.723   65.232   44.723 0.000000 0.000000 
1 1 1    0   14   30 o   64.528   30.501  -1.2133   4.3744  -1.2133   4.3744  -1.2133   4.3744   64.528   43.135   64.528   43.135 -0.000000 0.000000 
1 1 1    0   14   32 o  155.970   60.150   13.305   10.742   13.305   10.742   13.305   10.742  155.970   85.065  155.970   85.065 0.000000 0.000000 
1 1 1    0   14   34 o   97.185   42.351   4.0657   6.4826   4.0657   6.4826   4.0657   6.4826   97.185   59.893   97.185   59.893 0.000000 0.000000 
1 1 1    0   14   36 o  104.853   40.653   6.3286   4.9362   6.3286   4.9362   6.3286   4.9362  104.853   57.492  104.853   57.492 0.000000 0.000000 
1 1 1    0   14   38 o   52.446   27.140 -11.4463   7.2353 -11.4463   7.2353 -11.4463   7.2353   52.446   38.382   52.446   38.382 -0.000000 0.000000 
1 1 1    0   15    1 o  233.026   5.6679   15.541   1.0624   15.541   1.0624   15.541   1.0624  233.026   8.0156  233.026   8.0156 -0.000000 0.000000 
1 1 1    0   15    3 o  1433.42   22.630  588.428   26.133  588.428   26.133  588.428   26.133  1433.42   32.004  1433.42   32.004 -0.000000 0.000000 
1 1 1    0   15    5 o  667.403   11.416  127.340   6.1370  127.340   6.1370  127.340   6.1370  667.403   16.145  667.403   16.145 0.000000 0.000000 
1 1 1    0   15    7 o  1913.64   17.029  1047.05   26.272  1047.05   26.272  1047.05   26.272  1913.64   24.082  1913.64   24.082 -0.000000 0.000000 
1 1 1    0   15    9 o  1584.04   23.299  719.969   29.736  719.969   29.736  719.969   29.736  1584.04   32.950  1584.04   32.950 0.000000 0.000000 
1 1 1    0   15   11 o  334.522   12.390   32.219   3.3217   32.219   3.3217   32.219   3.3217  334.522   17.521  334.522   17.521 -0.000000 0.000000 
1 1 1    0   15   13 o  439.842   10.108   55.391   3.5772   55.391   3.5772   55.391   3.5772  439.842   14.295  439.842   14.295 -0.000000 0.000000 
1 1 1    0   15   15 o  900.245   15.934  231.996   11.552  231.996   11.552  231.996   11.552  900.245   22.534  900.245   22.534 -0.000000 0.000000 
1 1 1    0   15   17 o  176.187   28.266   10.139   3.5019   10.139   3.5019   10.139   3.5019  176.187   39.974  176.187   39.974 0.000000 0.000000 
1 1 1    0   15   19 o  1116.82   16.374  356.718   14.734  356.718   14.734  356.718   14.734  1116.82   23.156  1116.82   23.156 0.000000 0.000000 
1 1 1    0   15   21 o  941.693   25.369  255.190   19.204  255.190   19.204  255.190   19.204  941.693   35.877  941.693   35.877 -0.000000 0.000000 
1 1 1    0   15   23 o  700.675   12.592  140.500   7.1052  140.500   7.1052  140.500   7.1052  700.675   17.807  700.675   17.807 -0.000000 0.000000 
1 1 1    0   15   25 f  138.914   45.926   8.2654   5.7451   8.2654   5.7451   8.2654   5.7451  138.914   64.949  138.914   64.949 -0.000000 0.000000 
1 1 1    0   15   27 o  358.248   16.886   37.311   4.8292   37.311   4.8292   37.311   4.8292  358.248   23.881  358.248   23.881 -0.000000 0.000000 
1 1 1    0   15   29 o  113.979   42.790   5.8004   5.3024   5.8004   5.3024   5.8004   5.3024  113.979   60.514  113.979   60.514 -0.000000 0.000000 
1 1 1    0   15   31 o   61.355   29.049  -1.0744   3.9958  -1.0744   3.9958  -1.0744   3.9958   61.355   41.081   61.355   41.081 -0.000000 0.000000 
1 1 1    0   15   35 o   63.939   29.376   0.6271   3.6302   0.6271   3.6302   0.6271   3.6302   63.939   41.544   63.939   41.544 0.000000 0.000000 
1 1 1    0   15   37 o   62.333   30.853  -2.1546   5.7953  -2.1546   5.7953  -2.1546   5.7953   62.333   43.633   62.333   43.633 0.000000 0.000000 
1 1 1    0   16    0 o  416.458   21.872   50.346   7.2531   50.346   7.2531   50.346   7.2531  416.458   30.932  416.458   30.932 0.000000 0.000000 
1 1 1    0   16    2 o   78.596   29.534   2.5481   2.5276   2.5481   2.5276   2.5481   2.5276   78.596   41.767   78.596   41.767 0.000000 0.000000 
1 1 1    0   16    4 o  1003.18   15.369  287.884   12.421  287.884   12.421  287.884   12.421  1003.18   21.735  1003.18   21.735 0.000000 0.000000 
1 1 1    0   16    6 o  287.172   16.324   24.020   3.7245   24.020   3.7245   24.020   3.7245  287.172   23.085  287.172   23.085 -0.000000 0.000000 
1 1 1    0   16    8 o  322.740   8.7313   29.853   2.2651   29.853   2.2651   29.853   2.2651  322.740   12.348  322.740   12.348 0.000000 0.000000 
1 1 1    0   16   10 o  728.272   15.809  152.037   9.2657  152.037   9.2657  152.037   9.2657  728.272   22.357  728.272   22.357 0.000000 0.000000 
1 1 1    0   16   12 o   65.781   28.979   0.7797   3.1185   0.7797   3.1185   0.7797   3.1185   65.781   40.982   65.781   40.982 -0.000000 0.000000 
1 1 1    0   16   14 o  256.607   10.079   18.964   2.0712   18.964   2.0712   18.964   2.0712  256.607   14.254  256.607   14.254 0.000000 0.000000 
1 1 1    0   16   16 f  899.440   14.419  231.357   10.447  231.357   10.447  231.357   10.447  899.440   20.391  899.440   20.391 0.000000 0.000000 
1 1 1    0   16   18 o   60.230   27.224   0.1797   2.9570   0.1797   2.9570   0.1797   2.9570   60.230   38.500   60.230   38.500 0.000000 0.000000 
1 1 1    0   16   20 o  317.828   50.259   33.177   11.251   33.177   11.251   33.177   11.251  317.828   71.077  317.828   71.077 -0.000000 0.000000 
1 1 1    0   16   22 o  518.211   12.126   76.938   5.0552   76.938   5.0552   76.938   5.0552  518.211   17.148  518.211   17.148 -0.000000 0.000000 
1 1 1    0   16   24 o  108.800   42.572   4.8065   5.4699   4.8065   5.4699   4.8065   5.4699  108.800   60.206  108.800   60.206 0.000000 0.000000 
1 1 1    0   16   26 o  182.681   47.200   13.064   6.4113   13.064   6.4113   13.064   6.4113  182.681   66.751  182.681   66.751 0.000000 0.000000 
1 1 1    0   16   28 o  116.891   45.155   5.9922   6.0644   5.9922   6.0644   5.9922   6.0644  116.891   63.859  116.891   63.859 0.000000 0.000000 
1 1 1    0   16   30 o   79.987   32.603   2.5433   3.3849   2.5433   3.3849   2.5433   3.3849   79.987   46.108   79.987   46.108 0.000000 0.000000 
1 1 1    0   16   32 o  113.162   45.777   6.3066   6.5956   6.3066   6.5956   6.3066   6.5956  113.162   64.739  113.162   64.739 -0.000000 0.000000 
1 1 1    0   16   36 o   51.380   26.629 -13.7601   7.1508 -13.7601   7.1508 -13.7601   7.1508   51.380   37.660   51.380   37.660 -0.000000 0.000000 
1 1 1    0   16   38 o   90.968   34.682   5.3291   3.5337   5.3291   3.5337   5.3291   3.5337   90.968   49.048   90.968   49.048 0.000000 0.000000 
1 1 1    0   17    1 o  376.707   22.351   41.481   6.6806   41.481   6.6806   41.481   6.6806  376.707   31.609  376.707   31.609 -0.000000 0.000000 
1 1 1    0   17    3 o  680.316   15.203  132.638   8.3229  132.638   8.3229  132.638   8.3229  680.316   21.501  680.316   21.501 -0.000000 0.000000 
1 1 1    0   17    5 o  901.674   22.139  233.734   16.056  233.734   16.056  233.734   16.056  901.674   31.309  901.674   31.309 0.000000 0.000000 
1 1 1    0   17    7 o  402.853   7.4149   46.395   2.4054   46.395   2.4054   46.395   2.4054  402.853   10.486  402.853   10.486 0.000000 0.000000 
1 1 1    0   17    9 o  516.434   16.427   76.711   6.8102   76.711   6.8102   76.711   6.8102  516.434   23.231  516.434   23.231 0.000000 0.000000 
1 1 1    0   17   11 o  277.403   20.775   22.753   4.5288   22.753   4.5288   22.753   4.5288  277.403   29.381  277.403   29.381 -0.000000 0.000000 
1 1 1    0   17   13 o  600.275   16.502  103.428   7.9614  103.428   7.9614  103.428   7.9614  600.275   23.337  600.275   23.337 -0.000000 0.000000 
1 1 1    0   17   15 o  254.296   24.577   19.514   4.7736   19.514   4.7736   19.514   4.7736  254.296   34.757  254.296   34.757 -0.000000 0.000000 
1 1 1    0   17   19 o  1413.99   24.608  573.639   28.024  573.639   28.024  573.639   28.024  1413.99   34.801  1413.99   34.801 -0.000000 0.000000 
1 1 1    0   17   21 o  1081.11   13.958  334.240   12.161  334.240   12.161  334.240   12.161  1081.11   19.740  1081.11   19.740 0.000000 0.000000 
1 1 1    0   17   23 o  847.661   14.818  205.881   10.116  205.881   10.116  205.881   10.116  847.661   20.955  847.661   20.955 0.000000 0.000000 
1 1 1    0   17   25 o  209.259   43.094   15.628   6.3141   15.628   6.3141   15.628   6.3141  209.259   60.944  209.259   60.944 0.000000 0.000000 
1 1 1    0   17   27 o  300.662   29.178   27.808   6.6967   27.808   6.6967   27.808   6.6967  300.662   41.265  300.662   41.265 0.000000 0.000000 
1 1 1    0   17   29 o  176.748   45.965   12.729   6.0597   12.729   6.0597   12.729   6.0597  176.748   65.004  176.748   65.004 0.000000 0.000000 
1 1 1    0   17   31 o  107.144   42.809   5.4105   5.6743   5.4105   5.6743   5.4105   5.6743  107.144   60.541  107.144   60.541 0.000000 0.000000 
1 1 1    0   17   33 o  140.352   48.823   10.612   6.5936   10.612   6.5936   10.612   6.5936  140.352   69.046  140.352   69.046 -0.000000 0.000000 
1 1 1    0   17   35 o  123.219   50.150   11.007   7.9905   11.007   7.9905   11.007   7.9905  123.219   70.923  123.219   70.923 -0.000000 0.000000 
1 1 1    0   17   37 o   52.255   26.259  -3.3816   4.7405  -3.3816   4.7405  -3.3816   4.7405   52.255   37.135   52.255   37.135 -0.000000 0.000000 
1 1 1    0   18    0 o  254.380   25.098   19.550   4.8623   19.550   4.8623   19.550   4.8623  254.380   35.494  254.380   35.494 0.000000 0.000000 
1 1 1    0   18    2 o  277.519   28.260   23.439   5.9441   23.439   5.9441   23.439   5.9441  277.519   39.966  277.519   39.966 0.000000 0.000000 
1 1 1    0   18    4 o  1658.39   16.613  786.843   22.210  786.843   22.210  786.843   22.210  1658.39   23.495  1658.39   23.495 0.000000 0.000000 
1 1 1    0   18    6 o  280.329   19.969   23.168   4.4096   23.168   4.4096   23.168   4.4096  280.329   28.240  280.329   28.240 -0.000000 0.000000 
1 1 1    0   18    8 o  141.274   35.122   7.5209   3.6302   7.5209   3.6302   7.5209   3.6302  141.274   49.670  141.274   49.670 -0.000000 0.000000 
1 1 1    0   18   10 o   91.545   27.874   3.4242   2.1129   3.4242   2.1129   3.4242   2.1129   91.545   39.420   91.545   39.420 -0.000000 0.000000 
1 1 1    0   18   12 o  244.734   13.484   17.411   2.6243   17.411   2.6243   17.411   2.6243  244.734   19.070  244.734   19.070 -0.000000 0.000000 
1 1 1    0   18   14 o  228.829   27.301   16.210   4.6077   16.210   4.6077   16.210   4.6077  228.829   38.609  228.829   38.609 -0.000000 0.000000 
1 1 1    0   18   20 o  359.534   14.531   37.292   4.1821   37.292   4.1821   37.292   4.1821  359.534   20.551  359.534   20.551 -0.000000 0.000000 
1 1 1    0   18   22 o  725.118   15.384  150.809   8.9783  150.809   8.9783  150.809   8.9783  725.118   21.756  725.118   21.756 0.000000 0.000000 
1 1 1    0   18   24 o  216.744   41.512   16.353   6.2722   16.353   6.2722   16.353   6.2722  216.744   58.707  216.744   58.707 -0.000000 0.000000 
1 1 1    0   18   26 o  179.578   33.148   11.093   4.1484   11.093   4.1484   11.093   4.1484  179.578   46.879  179.578   46.879 -0.000000 0.000000 
1 1 1    0   18   28 o  117.830   38.204   6.0856   3.9675   6.0856   3.9675   6.0856   3.9675  117.830   54.028  117.830   54.028 0.000000 0.000000 
1 1 1    0   18   30 o  119.432   39.997   6.5701   4.3720   6.5701   4.3720   6.5701   4.3720  119.432   56.565  119.432   56.565 0.000000 0.000000 
1 1 1    0   18   32 o   70.275   34.057  -2.3395   6.1739  -2.3395   6.1739  -2.3395   6.1739   70.275   48.164   70.275   48.164 -0.000000 0.000000 
1 1 1    0   18   34 o   71.413   36.838 -17.2933   12.656 -17.2933   12.656 -17.2933   12.656   71.413   52.096   71.413   52.096 0.000000 0.000000 
1 1 1    0   18   36 o   85.572   38.684   4.7889   5.9732   4.7889   5.9732   4.7889   5.9732   85.572   54.708   85.572   54.708 -0.000000 0.000000 
1 1 1    0   19    1 o  276.138   28.528   23.248   5.9570   23.248   5.9570   23.248   5.9570  276.138   40.345  276.138   40.345 -0.000000 0.000000 
1 1 1    0   19    3 o  1222.15   22.582  428.920   22.224  428.920   22.224  428.920   22.224  1222.15   31.935  1222.15   31.935 0.000000 0.000000 
1 1 1    0   19    5 o  530.542   10.501   80.533   4.4853   80.533   4.4853   80.533   4.4853  530.542   14.851  530.542   14.851 0.000000 0.000000 
1 1 1    0   19    7 o  1080.56   15.798  334.107   13.755  334.107   13.755  334.107   13.755  1080.56   22.342  1080.56   22.342 0.000000 0.000000 
1 1 1    0   19    9 o  190.511   30.052   11.827   4.0335   11.827   4.0335   11.827   4.0335  190.511   42.499  190.511   42.499 -0.000000 0.000000 
1 1 1    0   19   11 o  311.436   20.631   28.462   5.0774   28.462   5.0774   28.462   5.0774  311.436   29.176  311.436   29.176 0.000000 0.000000 
1 1 1    0   19   13 o  239.330   10.405   16.528   1.9910   16.528   1.9910   16.528   1.9910  239.330   14.715  239.330   14.715 0.000000 0.000000 
1 1 1    0   19   17 o  160.306   51.872   10.828   7.3127   10.828   7.3127   10.828   7.3127  160.306   73.358  160.306   73.358 0.000000 0.000000 
1 1 1    0   19   19 o  555.885   12.910   88.535   5.7738   88.535   5.7738   88.535   5.7738  555.885   18.258  555.885   18.258 0.000000 0.000000 
1 1 1    0   19   21 o  367.084   16.025   38.990   4.7028   38.990   4.7028   38.990   4.7028  367.084   22.662  367.084   22.662 -0.000000 0.000000 
1 1 1    0   19   23 o  500.648   14.084   72.072   5.6662   72.072   5.6662   72.072   5.6662  500.648   19.917  500.648   19.917 0.000000 0.000000 
1 1 1    0   19   25 o  105.126   43.304   4.1749   6.0698   4.1749   6.0698   4.1749   6.0698  105.126   61.242  105.126   61.242 0.000000 0.000000 
1 1 1    0   19   27 f  254.102   35.671   21.250   6.4939   21.250   6.4939   21.250   6.4939  254.102   50.446  254.102   50.446 0.000000 0.000000 
1 1 1    0   19   29 o   86.000   38.497   1.7016   5.7451   1.7016   5.7451   1.7016   5.7451   86.000   54.443   86.000   54.443 -0.000000 0.000000 
1 1 1    0   19   31 o   73.975   32.342   1.7428   3.8101   1.7428   3.8101   1.7428   3.8101   73.975   45.738   73.975   45.738 0.000000 0.000000 
1 1 1    0   19   35 o   63.562   31.840  -3.6357   6.7780  -3.6357   6.7780  -3.6357   6.7780   63.562   45.029   63.562   45.029 -0.000000 0.000000 
1 1 1    0   20    0 o  633.078   22.474  115.406   11.409  115.406   11.409  115.406   11.409  633.078   31.783  633.078   31.783 -0.000000 0.000000 
1 1 1    0   20    2 o  118.945   41.065   6.0196   4.6502   6.0196   4.6502   6.0196   4.6502  118.945   58.075  118.945   58.075 0.000000 0.000000 
1 1 1    0   20    4 o   95.809   34.884   3.8679   3.4457   3.8679   3.4457   3.8679   3.4457   95.809   49.334   95.809   49.334 -0.000000 0.000000 
1 1 1    0   20    6 o  472.735   17.105   64.377   6.4826   64.377   6.4826   64.377   6.4826  472.735   24.190  472.735   24.190 -0.000000 0.000000 
1 1 1    0   20    8 o  324.486   9.9277   30.214   2.5870   30.214   2.5870   30.214   2.5870  324.486   14.040  324.486   14.040 -0.000000 0.000000 
1 1 1    0   20   10 o  100.282   29.713   4.0634   2.4117   4.0634   2.4117   4.0634   2.4117  100.282   42.020  100.282   42.020 0.000000 0.000000 
1 1 1    0   20   12 o  597.405   16.934  102.439   8.1290  102.439   8.1290  102.439   8.1290  597.405   23.948  597.405   23.948 0.000000 0.000000 
1 1 1    0   20   16 o  225.914   33.814   16.458   5.4192   16.458   5.4192   16.458   5.4192  225.914   47.820  225.914   47.820 -0.000000 0.000000 
1 1 1    0   20   18 o  360.804   14.666   37.562   4.2355   37.562   4.2355   37.562   4.2355  360.804   20.741  360.804   20.741 0.000000 0.000000 
1 1 1    0   20   20 o   89.863   39.152   1.8940   5.5378   1.8940   5.5378   1.8940   5.5378   89.863   55.370   89.863   55.370 -0.000000 0.000000 
1 1 1    0   20   22 o  378.833   22.388   42.132   6.7303   42.132   6.7303   42.132   6.7303  378.833   31.662  378.833   31.662 0.000000 0.000000 
1 1 1    0   20   24 o  159.259   47.637   10.665   6.1891   10.665   6.1891   10.665   6.1891  159.259   67.368  159.259   67.368 -0.000000 0.000000 
1 1 1    0   20   26 o  117.693   45.308   6.2023   6.0852   6.2023   6.0852   6.2023   6.0852  117.693   64.076  117.693   64.076 -0.000000 0.000000 
1 1 1    0   20   28 o   59.143   29.478  -5.7399   5.5764  -5.7399   5.5764  -5.7399   5.5764   59.143   41.689   59.143   41.689 0.000000 0.000000 
1 1 1    0   20   30 o   73.617   35.204  -1.4993   6.1479  -1.4993   6.1479  -1.4993   6.1479   73.617   49.786   73.617   49.786 -0.000000 0.000000 
1 1 1    0   20   34 o   92.574   36.443   4.9765   4.0356   4.9765   4.0356   4.9765   4.0356   92.574   51.538   92.574   51.538 -0.000000 0.000000 
1 1 1    0   20   36 o  113.151   52.696   21.321   12.274   21.321   12.274   21.321   12.274  113.151   74.523  113.151   74.523 -0.000000 0.000000 
1 1 1    0   21    1 o  504.690   16.492   73.256   6.6802   73.256   6.6802   73.256   6.6802  504.690   23.323  504.690   23.323 0.000000 0.000000 
1 1 1    0   21    3 o  104.779   40.550   4.4407   4.9009   4.4407   4.9009   4.4407   4.9009  104.779   57.347  104.779   57.347 0.000000 0.000000 
1 1 1    0   21    5 o  219.646   14.951   14.158   2.5922   14.158   2.5922   14.158   2.5922  219.646   21.145  219.646   21.145 0.000000 0.000000 
1 1 1    0   21    7 o  523.065   17.128   78.678   7.1904   78.678   7.1904   78.678   7.1904  523.065   24.223  523.065   24.223 -0.000000 0.000000 
1 1 1    0   21    9 o   62.161   28.928  -0.6935   3.6883  -0.6935   3.6883  -0.6935   3.6883   62.161   40.910   62.161   40.910 0.000000 0.000000 
1 1 1    0   21   11 o  1027.74   22.933  303.076   18.966  303.076   18.966  303.076   18.966  1027.74   32.432  1027.74   32.432 0.000000 0.000000 
1 1 1    0   21   15 o   99.072   39.570   3.7531   4.8459   3.7531   4.8459   3.7531   4.8459   99.072   55.960   99.072   55.960 0.000000 0.000000 
1 1 1    0   21   17 o  205.130   25.313   13.103   3.8059   13.103   3.8059   13.103   3.8059  205.130   35.798  205.130   35.798 -0.000000 0.000000 
1 1 1    0   21   19 o  354.810   15.162   36.397   4.3023   36.397   4.3023   36.397   4.3023  354.810   21.442  354.810   21.442 -0.000000 0.000000 
1 1 1    0   21   21 o  280.013   33.576   24.573   6.9278   24.573   6.9278   24.573   6.9278  280.013   47.483  280.013   47.483 -0.000000 0.000000 
1 1 1    0   21   23 o  223.964   21.813   15.245   3.7272   15.245   3.7272   15.245   3.7272  223.964   30.848  223.964   30.848 0.000000 0.000000 
1 1 1    0   21   25 o  153.448   38.312   9.1444   4.3084   9.1444   4.3084   9.1444   4.3084  153.448   54.181  153.448   54.181 0.000000 0.000000 
1 1 1    0   21   27 o  125.638   46.135   7.5229   6.0623   7.5229   6.0623   7.5229   6.0623  125.638   65.244  125.638   65.244 0.000000 0.000000 
1 1 1    0   21   29 o  113.980   39.047   6.1303   4.1908   6.1303   4.1908   6.1303   4.1908  113.980   55.221  113.980   55.221 -0.000000 0.000000 
1 1 1    0   21   33 o   51.250   25.699  -4.0551   4.4568  -4.0551   4.4568  -4.0551   4.4568   51.250   36.344   51.250   36.344 -0.000000 0.000000 
1 1 1    0   21   35 o   81.739   37.120   4.6105   5.5765   4.6105   5.5765   4.6105   5.5765   81.739   52.495   81.739   52.495 0.000000 0.000000 
1 1 1    0   22    0 o  437.996   14.982   55.129   5.2643   55.129   5.2643   55.129   5.2643  437.996   21.188  437.996   21.188 0.000000 0.000000 
1 1 1    0   22    2 o  227.756   38.137   17.170   6.0821   17.170   6.0821   17.170   6.0821  227.756   53.934  227.756   53.934 -0.000000 0.000000 
1 1 1    0   22    4 o  121.445   43.957   6.2413   5.4525   6.2413   5.4525   6.2413   5.4525  121.445   62.164  121.445   62.164 0.000000 0.000000 
1 1 1    0   22    6 o  1001.82   15.443  287.044   12.464  287.044   12.464  287.044   12.464  1001.82   21.839  1001.82   21.839 0.000000 0.000000 
1 1 1    0   22    8 o  636.506   16.893  116.218   8.6443  116.218   8.6443  116.218   8.6443  636.506   23.890  636.506   23.890 -0.000000 0.000000 
1 1 1    0   22   14 o  1231.80   17.283  434.209   17.155  434.209   17.155  434.209   17.155  1231.80   24.442  1231.80   24.442 -0.000000 0.000000 
1 1 1    0   22   16 o  398.431   13.509   45.661   4.3183   45.661   4.3183   45.661   4.3183  398.431   19.105  398.431   19.105 -0.000000 0.000000 
1 1 1    0   22   18 o  440.310   13.259   55.713   4.6889   55.713   4.6889   55.713   4.6889  440.310   18.751  440.310   18.751 -0.000000 0.000000 
1 1 1    0   22   20 o  117.962   45.657   5.8291   6.2140   5.8291   6.2140   5.8291   6.2140  117.962   64.569  117.962   64.569 -0.000000 0.000000 
1 1 1    0   22   22 o  223.414   27.931   15.720   4.5633   15.720   4.5633   15.720   4.5633  223.414   39.501  223.414   39.501 -0.000000 0.000000 
1 1 1    0   22   24 o  288.998   21.140   24.962   4.8064   24.962   4.8064   24.962   4.8064  288.998   29.896  288.998   29.896 -0.000000 0.000000 
1 1 1    0   22   26 o  233.975   21.441   16.760   3.8586   16.760   3.8586   16.760   3.8586  233.975   30.323  233.975   30.323 -0.000000 0.000000 
1 1 1    0   22   28 o   80.275   36.794   0.8410   5.6499   0.8410   5.6499   0.8410   5.6499   80.275   52.035   80.275   52.035 0.000000 0.000000 
1 1 1    0   22   32 o   69.146   33.110  -0.2140   5.4754  -0.2140   5.4754  -0.2140   5.4754   69.146   46.825   69.146   46.825 -0.000000 0.000000 
1 1 1    0   22   34 o   45.162   22.594  -2.7590   3.3779  -2.7590   3.3779  -2.7590   3.3779   45.162   31.953   45.162   31.953 0.000000 0.000000 
1 1 1    0   23    1 o  586.218   16.506   98.627   7.7756   98.627   7.7756   98.627   7.7756  586.218   23.342  586.218   23.342 -0.000000 0.000000 
1 1 1    0   23    3 o  611.627   23.799  108.015   11.658  108.015   11.658  108.015   11.658  611.627   33.657  611.627   33.657 -0.000000 0.000000 
1 1 1    0   23    5 o  182.137   36.212   11.500   4.6047   11.500   4.6047   11.500   4.6047  182.137   51.211  182.137   51.211 -0.000000 0.000000 
1 1 1    0   23    7 o  718.254   14.029  147.621   8.1126  147.621   8.1126  147.621   8.1126  718.254   19.840  718.254   19.840 0.000000 0.000000 
1 1 1    0   23   11 o  690.127   24.447  137.414   13.529  137.414   13.529  137.414   13.529  690.127   34.573  690.127   34.573 0.000000 0.000000 
1 1 1    0   23   13 o  729.563   14.351  152.394   8.4295  152.394   8.4295  152.394   8.4295  729.563   20.296  729.563   20.296 0.000000 0.000000 
1 1 1    0   23   15 o  401.224   22.498   47.011   7.1749   47.011   7.1749   47.011   7.1749  401.224   31.817  401.224   31.817 0.000000 0.000000 
1 1 1    0   23   17 o  261.238   20.889   20.307   4.2561   20.307   4.2561   20.307   4.2561  261.238   29.542  261.238   29.542 0.000000 0.000000 
1 1 1    0   23   19 f  282.343   20.357   23.602   4.5251   23.602   4.5251   23.602   4.5251  282.343   28.789  282.343   28.789 -0.000000 0.000000 
1 1 1    0   23   21 o  130.746   48.034   7.5557   6.5741   7.5557   6.5741   7.5557   6.5741  130.746   67.930  130.746   67.930 -0.000000 0.000000 
1 1 1    0   23   23 o  137.543   49.241   8.6871   6.7993   8.6871   6.7993   8.6871   6.7993  137.543   69.638  137.543   69.638 0.000000 0.000000 
1 1 1    0   23   25 o  206.844   31.110   14.251   4.5619   14.251   4.5619   14.251   4.5619  206.844   43.996  206.844   43.996 -0.000000 0.000000 
1 1 1    0   23   27 o  143.072   46.581   9.7582   5.9009   9.7582   5.9009   9.7582   5.9009  143.072   65.876  143.072   65.876 -0.000000 0.000000 
1 1 1    0   23   31 o   52.596   25.828  -2.2140   3.8461  -2.2140   3.8461  -2.2140   3.8461   52.596   36.527   52.596   36.527 -0.000000 0.000000 
1 1 1    0   23   33 o   63.385   31.055  -0.8878   5.4796  -0.8878   5.4796  -0.8878   5.4796   63.385   43.918   63.385   43.918 -0.000000 0.000000 
1 1 1    0   24    0 o  857.479   22.785  210.886   15.707  210.886   15.707  210.886   15.707  857.479   32.223  857.479   32.223 -0.000000 0.000000 
1 1 1    0   24    2 o  696.646   15.772  139.027   8.8407  139.027   8.8407  139.027   8.8407  696.646   22.305  696.646   22.305 0.000000 0.000000 
1 1 1    0   24    4 o  1254.22   23.142  451.004   23.373  451.004   23.373  451.004   23.373  1254.22   32.727  1254.22   32.727 0.000000 0.000000 
1 1 1    0   24   10 o  1258.65   17.441  453.346   17.689  453.346   17.689  453.346   17.689  1258.65   24.665  1258.65   24.665 -0.000000 0.000000 
1 1 1    0   24   12 o  145.018   33.658   7.7065   3.4915   7.7065   3.4915   7.7065   3.4915  145.018   47.599  145.018   47.599 -0.000000 0.000000 
1 1 1    0   24   14 o  1036.71   16.883  307.993   14.099  307.993   14.099  307.993   14.099  1036.71   23.876  1036.71   23.876 0.000000 0.000000 
1 1 1    0   24   16 o  109.622   43.576   4.7674   5.8394   4.7674   5.8394   4.7674   5.8394  109.622   61.626  109.622   61.626 0.000000 0.000000 
1 1 1    0   24   18 f  274.935   21.305   22.500   4.5797   22.500   4.5797   22.500   4.5797  274.935   30.130  274.935   30.130 -0.000000 0.000000 
1 1 1    0   24   20 o  112.654   45.434   5.1027   6.4712   5.1027   6.4712   5.1027   6.4712  112.654   64.253  112.654   64.253 0.000000 0.000000 
1 1 1    0   24   22 o   81.473   38.031  -0.7758   6.4532  -0.7758   6.4532  -0.7758   6.4532   81.473   53.783   81.473   53.783 0.000000 0.000000 
1 1 1    0   24   24 o  185.194   49.804   14.474   6.9958   14.474   6.9958   14.474   6.9958  185.194   70.433  185.194   70.433 0.000000 0.000000 
1 1 1    0   24   26 o   88.526   39.996   1.7957   6.3731   1.7957   6.3731   1.7957   6.3731   88.526   56.562   88.526   56.562 0.000000 0.000000 
1 1 1    0   24   30 o   85.974   38.116   3.4224   5.4820   3.4224   5.4820   3.4224   5.4820   85.974   53.904   85.974   53.904 -0.000000 0.000000 
1 1 1    0   24   32 o   76.453   35.560   2.6089   5.5621   2.6089   5.5621   2.6089   5.5621   76.453   50.289   76.453   50.289 0.000000 0.000000 
1 1 1    0   25    1 o  269.535   13.324   21.042   2.8640   21.042   2.8640   21.042   2.8640  269.535   18.844  269.535   18.844 -0.000000 0.000000 
1 1 1    0   25    9 o  1171.92   16.671  393.070   15.742  393.070   15.742  393.070   15.742  1171.92   23.576  1171.92   23.576 -0.000000 0.000000 
1 1 1    0   25   11 o  323.255   11.940   30.084   3.0934   30.084   3.0934   30.084   3.0934  323.255   16.885  323.255   16.885 0.000000 0.000000 
1 1 1    0   25   13 o  322.723   26.986   31.187   6.7655   31.187   6.7655   31.187   6.7655  322.723   38.164  322.723   38.164 0.000000 0.000000 
1 1 1    0   25   15 o  274.543   49.919   25.936   9.5536   25.936   9.5536   25.936   9.5536  274.543   70.595  274.543   70.595 -0.000000 0.000000 
1 1 1    0   25   17 o   82.136   37.622  -0.0181   5.8937  -0.0181   5.8937  -0.0181   5.8937   82.136   53.206   82.136   53.206 0.000000 0.000000 
1 1 1    0   25   19 o  328.756   17.627   31.599   4.6120   31.599   4.6120   31.599   4.6120  328.756   24.929  328.756   24.929 0.000000 0.000000 
1 1 1    0   25   21 o  124.381   40.727   6.7920   4.5136   6.7920   4.5136   6.7920   4.5136  124.381   57.597  124.381   57.597 0.000000 0.000000 
1 1 1    0   25   23 o  129.449   34.091   6.6957   3.3119   6.6957   3.3119   6.6957   3.3119  129.449   48.212  129.449   48.212 0.000000 0.000000 
1 1 1    0   25   25 o  112.382   40.354   6.0147   4.5743   6.0147   4.5743   6.0147   4.5743  112.382   57.069  112.382   57.069 0.000000 0.000000 
1 1 1    0   25   29 o   84.018   37.760   2.9102   5.5890   2.9102   5.5890   2.9102   5.5890   84.018   53.401   84.018   53.401 -0.000000 0.000000 
1 1 1    0   25   31 o   77.598   34.792   3.0770   4.7136   3.0770   4.7136   3.0770   4.7136   77.598   49.203   77.598   49.203 -0.000000 0.000000 
1 1 1    0   26    2 o  197.189   48.140   14.608   6.8967   14.608   6.8967   14.608   6.8967  197.189   68.080  197.189   68.080 0.000000 0.000000 
1 1 1    0   26    6 o  553.452   18.692   88.218   8.3001   88.218   8.3001   88.218   8.3001  553.452   26.435  553.452   26.435 0.000000 0.000000 
1 1 1    0   26    8 o  223.339   37.237   16.536   5.8256   16.536   5.8256   16.536   5.8256  223.339   52.661  223.339   52.661 0.000000 0.000000 
1 1 1    0   26   10 o  646.824   13.995  119.918   7.2851  119.918   7.2851  119.918   7.2851  646.824   19.792  646.824   19.792 0.000000 0.000000 
1 1 1    0   26   12 o  587.503   13.169   98.957   6.2257   98.957   6.2257   98.957   6.2257  587.503   18.624  587.503   18.624 0.000000 0.000000 
1 1 1    0   26   14 o  140.056   47.263   8.4915   6.1165   8.4915   6.1165   8.4915   6.1165  140.056   66.840  140.056   66.840 0.000000 0.000000 
1 1 1    0   26   16 o  111.328   39.071   5.3654   4.2379   5.3654   4.2379   5.3654   4.2379  111.328   55.254  111.328   55.254 0.000000 0.000000 
1 1 1    0   26   18 o  432.239   23.786   55.089   8.1762   55.089   8.1762   55.089   8.1762  432.239   33.638  432.239   33.638 -0.000000 0.000000 
1 1 1    0   26   20 o  381.590   26.224   43.828   7.8954   43.828   7.8954   43.828   7.8954  381.590   37.086  381.590   37.086 -0.000000 0.000000 
1 1 1    0   26   22 o   62.756   31.220  -6.0693   6.1639  -6.0693   6.1639  -6.0693   6.1639   62.756   44.152   62.756   44.152 -0.000000 0.000000 
1 1 1    0   26   24 o  126.033   47.685   8.0252   6.6325   8.0252   6.6325   8.0252   6.6325  126.033   67.437  126.033   67.437 0.000000 0.000000 
1 1 1    0   26   28 o   68.617   32.942  -0.7815   5.4926  -0.7815   5.4926  -0.7815   5.4926   68.617   46.588   68.617   46.588 -0.000000 0.000000 
1 1 1    0   26   30 o   52.509   26.131  -2.9092   4.3293  -2.9092   4.3293  -2.9092   4.3293   52.509   36.955   52.509   36.955 -0.000000 0.000000 
1 1 1    0   26   32 o   94.264   40.515   7.6089   5.7511   7.6089   5.7511   7.6089   5.7511   94.264   57.297   94.264   57.297 0.000000 0.000000 
1 1 1    0   27    3 o  308.320   17.493   27.709   4.2855   27.709   4.2855   27.709   4.2855  308.320   24.739  308.320   24.739 0.000000 0.000000 
1 1 1    0   27    5 o  597.173   14.886  102.315   7.1494  102.315   7.1494  102.315   7.1494  597.173   21.052  597.173   21.052 -0.000000 0.000000 
1 1 1    0   27    7 o  694.036   13.649  137.985   7.6265  137.985   7.6265  137.985   7.6265  694.036   19.302  694.036   19.302 -0.000000 0.000000 
1 1 1    0   27    9 o  121.145   38.217   6.1357   3.9642   6.1357   3.9642   6.1357   3.9642  121.145   54.048  121.145   54.048 -0.000000 0.000000 
1 1 1    0   27   11 o  123.327   45.597   6.5272   5.9527   6.5272   5.9527   6.5272   5.9527  123.327   64.484  123.327   64.484 0.000000 0.000000 
1 1 1    0   27   13 o  252.346   21.489   19.085   4.2055   19.085   4.2055   19.085   4.2055  252.346   30.391  252.346   30.391 -0.000000 0.000000 
1 1 1    0   27   15 o  201.045   46.125   15.090   6.6142   15.090   6.6142   15.090   6.6142  201.045   65.230  201.045   65.230 -0.000000 0.000000 
1 1 1    0   27   17 o  436.019   23.795   56.127   8.2530   56.127   8.2530   56.127   8.2530  436.019   33.651  436.019   33.651 -0.000000 0.000000 
1 1 1    0   27   19 o  532.438   21.675   83.299   9.2368   83.299   9.2368   83.299   9.2368  532.438   30.653  532.438   30.653 0.000000 0.000000 
1 1 1    0   27   21 f   85.272   36.322   2.5624   4.5388   2.5624   4.5388   2.5624   4.5388   85.272   51.368   85.272   51.368 -0.000000 0.000000 
1 1 1    0   27   23 o   49.156   25.256 -10.9514   5.6119 -10.9514   5.6119 -10.9514   5.6119   49.156   35.717   49.156   35.717 0.000000 0.000000 
1 1 1    0   27   27 o  129.681   45.529   9.4978   5.7556   9.4978   5.7556   9.4978   5.7556  129.681   64.388  129.681   64.388 -0.000000 0.000000 
1 1 1    0   27   29 o   54.542   27.492  -4.7247   5.3453  -4.7247   5.3453  -4.7247   5.3453   54.542   38.879   54.542   38.879 -0.000000 0.000000 
1 1 1    0   27   31 o   47.004   24.196  -7.4842   5.2923  -7.4842   5.2923  -7.4842   5.2923   47.004   34.218   47.004   34.218 -0.000000 0.000000 
1 1 1    0   28    0 o  1621.86   24.058  753.823   31.438  753.823   31.438  753.823   31.438  1621.86   34.024  1621.86   34.024 0.000000 0.000000 
1 1 1    0   28    2 o  1495.66   24.005  643.615   28.922  643.615   28.922  643.615   28.922  1495.66   33.948  1495.66   33.948 0.000000 0.000000 
1 1 1    0   28    4 o  1523.57   24.191  668.086   29.692  668.086   29.692  668.086   29.692  1523.57   34.212  1523.57   34.212 -0.000000 0.000000 
1 1 1    0   28    6 o  1533.60   24.249  677.236   29.959  677.236   29.959  677.236   29.959  1533.60   34.293  1533.60   34.293 0.000000 0.000000 
1 1 1    0   28    8 o  159.427   36.319   9.3034   4.1233   9.3034   4.1233   9.3034   4.1233  159.427   51.363  159.427   51.363 0.000000 0.000000 
1 1 1    0   28   10 o   70.920   33.962  -2.7055   5.7627  -2.7055   5.7627  -2.7055   5.7627   70.920   48.030   70.920   48.030 -0.000000 0.000000 
1 1 1    0   28   12 o  268.523   35.957   23.095   6.9734   23.095   6.9734   23.095   6.9734  268.523   50.850  268.523   50.850 0.000000 0.000000 
1 1 1    0   28   14 o  190.955   47.845   14.205   6.7049   14.205   6.7049   14.205   6.7049  190.955   67.663  190.955   67.663 -0.000000 0.000000 
1 1 1    0   28   16 o  729.359   14.866  153.254   8.7283  153.254   8.7283  153.254   8.7283  729.359   21.024  729.359   21.024 -0.000000 0.000000 
1 1 1    0   28   18 o  717.227   19.384  149.964   11.175  149.964   11.175  149.964   11.175  717.227   27.413  717.227   27.413 0.000000 0.000000 
1 1 1    0   28   20 o  401.201   15.058   46.949   4.8409   46.949   4.8409   46.949   4.8409  401.201   21.295  401.201   21.295 0.000000 0.000000 
1 1 1    0   28   26 o  137.186   40.113   8.9800   4.4073   8.9800   4.4073   8.9800   4.4073  137.186   56.728  137.186   56.728 0.000000 0.000000 
1 1 1    0   28   28 o   87.168   32.379   4.1149   3.0121   4.1149   3.0121   4.1149   3.0121   87.168   45.790   87.168   45.790 0.000000 0.000000 
1 1 1    0   28   30 o   59.989   28.713   0.5268   4.1080   0.5268   4.1080   0.5268   4.1080   59.989   40.606   59.989   40.606 -0.000000 0.000000 
1 1 1    0   29    1 o  856.552   17.019  210.614   11.736  210.614   11.736  210.614   11.736  856.552   24.069  856.552   24.069 -0.000000 0.000000 
1 1 1    0   29    3 o  1282.88   23.952  474.453   24.743  474.453   24.743  474.453   24.743  1282.88   33.873  1282.88   33.873 0.000000 0.000000 
1 1 1    0   29    5 o   97.833   38.279   3.8792   4.4222   3.8792   4.4222   3.8792   4.4222   97.833   54.135   97.833   54.135 -0.000000 0.000000 
1 1 1    0   29    7 o  251.646   22.734   19.086   4.4081   19.086   4.4081   19.086   4.4081  251.646   32.151  251.646   32.151 -0.000000 0.000000 
1 1 1    0   29    9 o  427.705   23.509   53.691   7.9965   53.691   7.9965   53.691   7.9965  427.705   33.246  427.705   33.246 -0.000000 0.000000 
1 1 1    0   29   11 o  412.401   11.444   48.872   3.7931   48.872   3.7931   48.872   3.7931  412.401   16.185  412.401   16.185 -0.000000 0.000000 
1 1 1    0   29   13 o  525.218   15.241   79.617   6.4311   79.617   6.4311   79.617   6.4311  525.218   21.554  525.218   21.554 0.000000 0.000000 
1 1 1    0   29   15 o  202.254   30.815   13.508   4.4105   13.508   4.4105   13.508   4.4105  202.254   43.579  202.254   43.579 0.000000 0.000000 
1 1 1    0   29   17 f  118.209   46.425   6.4060   6.5320   6.4060   6.5320   6.4060   6.5320  118.209   65.655  118.209   65.655 -0.000000 0.000000 
1 1 1    0   29   19 o  201.243   31.467   13.709   4.4662   13.709   4.4662   13.709   4.4662  201.243   44.501  201.243   44.501 0.000000 0.000000 
1 1 1    0   29   23 o  169.184   35.264   10.969   4.1824   10.969   4.1824   10.969   4.1824  169.184   49.871  169.184   49.871 -0.000000 0.000000 
1 1 1    0   29   25 o  200.075   48.596   18.635   7.0510   18.635   7.0510   18.635   7.0510  200.075   68.725  200.075   68.725 0.000000 0.000000 
1 1 1    0   29   27 o   75.114   35.676   1.5399   6.1142   1.5399   6.1142   1.5399   6.1142   75.114   50.454   75.114   50.454 0.000000 0.000000 
1 1 1    0   29   29 o   76.905   35.850   3.8015   5.7026   3.8015   5.7026   3.8015   5.7026   76.905   50.699   76.905   50.699 0.000000 0.000000 
1 1 1    0   30    0 o  309.895   20.543   28.209   5.0306   28.209   5.0306   28.209   5.0306  309.895   29.052  309.895   29.052 0.000000 0.000000 
1 1 1    0   30    4 o  500.617   30.097   74.297   11.949   74.297   11.949   74.297   11.949  500.617   42.563  500.617   42.563 0.000000 0.000000 
1 1 1    0   30    6 o  235.278   55.625   21.148   9.4131   21.148   9.4131   21.148   9.4131  235.278   78.666  235.278   78.666 0.000000 0.000000 
1 1 1    0   30    8 o  347.738   17.530   35.257   4.8589   35.257   4.8589   35.257   4.8589  347.738   24.791  347.738   24.791 -0.000000 0.000000 
1 1 1    0   30   10 o  139.612   48.926   8.7445   6.6414   8.7445   6.6414   8.7445   6.6414  139.612   69.191  139.612   69.191 0.000000 0.000000 
1 1 1    0   30   12 o  397.373   23.123   46.791   7.2952   46.791   7.2952   46.791   7.2952  397.373   32.701  397.373   32.701 -0.000000 0.000000 
1 1 1    0   30   14 o   81.108   37.783  -0.5127   6.3173  -0.5127   6.3173  -0.5127   6.3173   81.108   53.434   81.108   53.434 -0.000000 0.000000 
1 1 1    0   30   16 o   94.370   41.399   2.6895   6.2975   2.6895   6.2975   2.6895   6.2975   94.370   58.548   94.370   58.548 0.000000 0.000000 
1 1 1    0   30   18 o   58.748   28.684  -2.9456   4.5739  -2.9456   4.5739  -2.9456   4.5739   58.748   40.566   58.748   40.566 0.000000 0.000000 
1 1 1    0   30   22 o  187.427   32.842   12.735   4.2968   12.735   4.2968   12.735   4.2968  187.427   46.446  187.427   46.446 0.000000 0.000000 
1 1 1    0   30   24 o  213.302   47.120   20.275   7.1096   20.275   7.1096   20.275   7.1096  213.302   66.638  213.302   66.638 -0.000000 0.000000 
1 1 1    0   30   26 o  100.003   42.739   7.1555   6.3261   7.1555   6.3261   7.1555   6.3261  100.003   60.443  100.003   60.443 -0.000000 0.000000 
1 1 1    0   30   28 o   66.123   30.462   2.0090   3.9400   2.0090   3.9400   2.0090   3.9400   66.123   43.080   66.123   43.080 -0.000000 0.000000 
1 1 1    0   31    1 o  583.530   27.630  100.161   12.869  100.161   12.869  100.161   12.869  583.530   39.075  583.530   39.075 0.000000 0.000000 
1 1 1    0   31    3 o  497.390   13.308   71.162   5.3211   71.162   5.3211   71.162   5.3211  497.390   18.820  497.390   18.820 0.000000 0.000000 
1 1 1    0   31    5 o  310.912   21.022   28.637   5.1607   28.637   5.1607   28.637   5.1607  310.912   29.730  310.912   29.730 0.000000 0.000000 
1 1 1    0   31    7 o  461.362   32.309   64.357   11.751   64.357   11.751   64.357   11.751  461.362   45.692  461.362   45.692 -0.000000 0.000000 
1 1 1    0   31    9 o   77.105   34.358   1.0443   4.5186   1.0443   4.5186   1.0443   4.5186   77.105   48.590   77.105   48.590 0.000000 0.000000 
1 1 1    0   31   11 f  639.531   19.999  119.322   10.269  119.322   10.269  119.322   10.269  639.531   28.283  639.531   28.283 -0.000000 0.000000 
1 1 1    0   31   13 o  659.893   19.885  127.435   10.539  127.435   10.539  127.435   10.539  659.893   28.122  659.893   28.122 0.000000 0.000000 
1 1 1    0   31   15 o   87.303   36.303   3.0134   4.3340   3.0134   4.3340   3.0134   4.3340   87.303   51.340   87.303   51.340 0.000000 0.000000 
1 1 1    0   31   17 o  134.476   54.535   9.6569   9.3954   9.6569   9.3954   9.6569   9.3954  134.476   77.124  134.476   77.124 0.000000 0.000000 
1 1 1    0   31   21 o  238.694   42.164   21.996   7.0222   21.996   7.0222   21.996   7.0222  238.694   59.628  238.694   59.628 -0.000000 0.000000 
1 1 1    0   31   23 o   87.073   36.419   4.0060   4.4074   4.0060   4.4074   4.0060   4.4074   87.073   51.505   87.073   51.505 -0.000000 0.000000 
1 1 1    0   31   25 o  172.665   27.038   10.906   3.2921   10.906   3.2921   10.906   3.2921  172.665   38.238  172.665   38.238 0.000000 0.000000 
1 1 1    0   31   27 o   92.593   41.088   7.6962   6.3871   7.6962   6.3871   7.6962   6.3871   92.593   58.108   92.593   58.108 -0.000000 0.000000 
1 1 1    0   32    2 o  316.475   27.902   30.563   6.8227   30.563   6.8227   30.563   6.8227  316.475   39.460  316.475   39.460 -0.000000 0.000000 
1 1 1    0   32    4 f  590.381   13.531  100.357   6.4272  100.357   6.4272  100.357   6.4272  590.381   19.135  590.381   19.135 -0.000000 0.000000 
1 1 1    0   32    6 o  125.693   52.096   6.5851   8.8734   6.5851   8.8734   6.5851   8.8734  125.693   73.675  125.693   73.675 -0.000000 0.000000 
1 1 1    0   32    8 o  269.709   54.231   27.235   10.220   27.235   10.220   27.235   10.220  269.709   76.694  269.709   76.694 -0.000000 0.000000 
1 1 1    0   32   10 o   63.935   30.439  -1.5424   4.5020  -1.5424   4.5020  -1.5424   4.5020   63.935   43.048   63.935   43.048 0.000000 0.000000 
1 1 1    0   32   12 o  226.254   25.776   16.197   4.3372   16.197   4.3372   16.197   4.3372  226.254   36.452  226.254   36.452 -0.000000 0.000000 
1 1 1    0   32   14 o  369.132   16.941   40.152   4.9948   40.152   4.9948   40.152   4.9948  369.132   23.958  369.132   23.958 -0.000000 0.000000 
1 1 1    0   32   20 o   62.241   28.346   0.6937   3.2808   0.6937   3.2808   0.6937   3.2808   62.241   40.087   62.241   40.087 -0.000000 0.000000 
1 1 1    0   32   22 o  132.490   48.060   11.118   6.5262   11.118   6.5262   11.118   6.5262  132.490   67.967  132.490   67.967 0.000000 0.000000 
1 1 1    0   32   24 o   63.929   31.553  -1.5531   5.9401  -1.5531   5.9401  -1.5531   5.9401   63.929   44.623   63.929   44.623 -0.000000 0.000000 
1 1 1    0   32   26 o   57.866   29.153  -2.8109   5.9827  -2.8109   5.9827  -2.8109   5.9827   57.866   41.228   57.866   41.228 -0.000000 0.000000 
1 1 1    0   33    1 o   82.399   37.285   0.8623   5.5652   0.8623   5.5652   0.8623   5.5652   82.399   52.729   82.399   52.729 -0.000000 0.000000 
1 1 1    0   33    3 o   69.361   33.174  -2.1149   5.4636  -2.1149   5.4636  -2.1149   5.4636   69.361   46.916   69.361   46.916 0.000000 0.000000 
1 1 1    0   33    5 o  123.764   51.656   6.5864   8.8333   6.5864   8.8333   6.5864   8.8333  123.764   73.053  123.764   73.053 0.000000 0.000000 
1 1 1    0   33    7 o  102.633   46.506   2.1234   8.6955   2.1234   8.6955   2.1234   8.6955  102.633   65.770  102.633   65.770 -0.000000 0.000000 
1 1 1    0   33    9 o  128.915   37.988   7.0979   3.9457   7.0979   3.9457   7.0979   3.9457  128.915   53.723  128.915   53.723 -0.000000 0.000000 
1 1 1    0   33   11 o   68.734   33.430  -3.2950   6.0721  -3.2950   6.0721  -3.2950   6.0721   68.734   47.277   68.734   47.277 -0.000000 0.000000 
1 1 1    0   33   13 o  235.217   42.915   20.435   7.0362   20.435   7.0362   20.435   7.0362  235.217   60.691  235.217   60.691 0.000000 0.000000 
1 1 1    0   33   17 o   94.264   43.997   2.2197   8.6332   2.2197   8.6332   2.2197   8.6332   94.264   62.221   94.264   62.221 0.000000 0.000000 
1 1 1    0   33   19 o  108.466   44.383   7.0036   6.3107   7.0036   6.3107   7.0036   6.3107  108.466   62.767  108.466   62.767 -0.000000 0.000000 
1 1 1    0   33   21 f  261.272   22.867   22.406   4.6201   22.406   4.6201   22.406   4.6201  261.272   32.339  261.272   32.339 -0.000000 0.000000 
1 1 1    0   33   23 o   55.558   28.138  -4.9693   5.8657  -4.9693   5.8657  -4.9693   5.8657   55.558   39.793   55.558   39.793 0.000000 0.000000 
1 1 1    0   34    2 o  446.334   22.151   59.287   7.8836   59.287   7.8836   59.287   7.8836  446.334   31.327  446.334   31.327 0.000000 0.000000 
1 1 1    0   34    4 o  268.328   15.150   21.209   3.2305   21.209   3.2305   21.209   3.2305  268.328   21.426  268.328   21.426 0.000000 0.000000 
1 1 1    0   34    6 o  123.859   51.530   7.2300   8.7403   7.2300   8.7403   7.2300   8.7403  123.859   72.874  123.859   72.874 0.000000 0.000000 
1 1 1    0   34    8 o   92.517   43.297   0.1707   8.4516   0.1707   8.4516   0.1707   8.4516   92.517   61.231   92.517   61.231 0.000000 0.000000 
1 1 1    0   34   10 o  292.435   20.443   25.911   4.7133   25.911   4.7133   25.911   4.7133  292.435   28.910  292.435   28.910 0.000000 0.000000 
1 1 1    0   34   16 o   68.529   33.262  -1.9093   5.9382  -1.9093   5.9382  -1.9093   5.9382   68.529   47.039   68.529   47.039 -0.000000 0.000000 
1 1 1    0   34   18 o  150.874   34.787   9.4106   3.7477   9.4106   3.7477   9.4106   3.7477  150.874   49.196  150.874   49.196 -0.000000 0.000000 
1 1 1    0   34   20 o  107.900   44.625   8.3369   6.4855   8.3369   6.4855   8.3369   6.4855  107.900   63.110  107.900   63.110 -0.000000 0.000000 
1 1 1    0   34   22 o  132.546   32.399   7.8759   3.1215   7.8759   3.1215   7.8759   3.1215  132.546   45.819  132.546   45.819 -0.000000 0.000000 
1 1 1    0   35    1 o   90.401   41.755   0.9024   7.4741   0.9024   7.4741   0.9024   7.4741   90.401   59.050   90.401   59.050 0.000000 0.000000 
1 1 1    0   35    3 o  350.911   15.084   36.115   4.2328   36.115   4.2328   36.115   4.2328  350.911   21.332  350.911   21.332 0.000000 0.000000 
1 1 1    0   35    5 o  317.844   27.816   31.799   6.8369   31.799   6.8369   31.799   6.8369  317.844   39.338  317.844   39.338 0.000000 0.000000 
1 1 1    0   35    7 o  111.671   48.790   5.4750   8.6564   5.4750   8.6564   5.4750   8.6564  111.671   68.999  111.671   68.999 0.000000 0.000000 
1 1 1    0   35    9 o  232.842   57.956   24.568   9.8778   24.568   9.8778   24.568   9.8778  232.842   81.962  232.842   81.962 0.000000 0.000000 
1 1 1    0   35   15 o  192.249   30.320   13.223   4.1068   13.223   4.1068   13.223   4.1068  192.249   42.879  192.249   42.879 0.000000 0.000000 
1 1 1    0   35   17 o   89.258   39.941   4.3083   6.1779   4.3083   6.1779   4.3083   6.1779   89.258   56.485   89.258   56.485 0.000000 0.000000 
1 1 1    0   35   19 f   46.047   22.882  -2.4097   3.2818  -2.4097   3.2818  -2.4097   3.2818   46.047   32.360   46.047   32.360 0.000000 0.000000 
1 1 1    0   35   21 o   37.379   19.438  -9.2263   4.0578  -9.2263   4.0578  -9.2263   4.0578   37.379   27.489   37.379   27.489 -0.000000 0.000000 
1 1 1    0   36    0 o  374.275   36.548   44.483   10.432   44.483   10.432   44.483   10.432  374.275   51.687  374.275   51.687 -0.000000 0.000000 
1 1 1    0   36    2 o  207.716   54.774   19.685   8.5442   19.685   8.5442   19.685   8.5442  207.716   77.462  207.716   77.462 -0.000000 0.000000 
1 1 1    0   36    4 o   93.642   40.035   3.7311   5.5546   3.7311   5.5546   3.7311   5.5546   93.642   56.617   93.642   56.617 0.000000 0.000000 
1 1 1    0   36    6 o  118.407   50.350   7.5735   8.6917   7.5735   8.6917   7.5735   8.6917  118.407   71.206  118.407   71.206 -0.000000 0.000000 
1 1 1    0   36   12 o  119.732   39.627   7.2827   4.2784   7.2827   4.2784   7.2827   4.2784  119.732   56.041  119.732   56.041 0.000000 0.000000 
1 1 1    0   36   14 o   37.086   19.336 -11.6228   4.2427 -11.6228   4.2427 -11.6228   4.2427   37.086   27.346   37.086   27.346 -0.000000 0.000000 
1 1 1    0   36   16 o   60.910   29.291  -0.4866   4.3797  -0.4866   4.3797  -0.4866   4.3797   60.910   41.424   60.910   41.424 -0.000000 0.000000 
1 1 1    0   36   18 o   42.909   22.053  -6.9030   4.2962  -6.9030   4.2962  -6.9030   4.2962   42.909   31.187   42.909   31.187 0.000000 0.000000 
1 1 1    0   36   20 o   87.720   39.765   6.8322   6.3655   6.8322   6.3655   6.8322   6.3655   87.720   56.237   87.720   56.237 0.000000 0.000000 
1 1 1    0   37    1 f  132.795   39.130   8.0502   4.1866   8.0502   4.1866   8.0502   4.1866  132.795   55.338  132.795   55.338 -0.000000 0.000000 
1 1 1    0   37    3 o  101.412   44.538   4.9336   7.3093   4.9336   7.3093   4.9336   7.3093  101.412   62.987  101.412   62.987 0.000000 0.000000 
1 1 1    0   37    5 o  212.317   27.231   15.125   4.2079   15.125   4.2079   15.125   4.2079  212.317   38.510  212.317   38.510 -0.000000 0.000000 
1 1 1    0   37    9 o  147.966   56.752   15.491   9.5149   15.491   9.5149   15.491   9.5149  147.966   80.260  147.966   80.260 0.000000 0.000000 
1 1 1    0   37   11 o  110.412   35.376   6.0264   3.3977   6.0264   3.3977   6.0264   3.3977  110.412   50.029  110.412   50.029 -0.000000 0.000000 
1 1 1    0   37   13 o   66.217   29.675   1.5858   3.4245   1.5858   3.4245   1.5858   3.4245   66.217   41.967   66.217   41.967 -0.000000 0.000000 
1 1 1    0   37   15 o  107.207   37.533   6.6665   3.9069   6.6665   3.9069   6.6665   3.9069  107.207   53.079  107.207   53.079 0.000000 0.000000 
1 1 1    0   37   17 o   75.189   35.672   3.0005   6.0796   3.0005   6.0796   3.0005   6.0796   75.189   50.447   75.189   50.447 0.000000 0.000000 
1 1 1    0   38    0 o  170.990   56.269   14.881   8.6204   14.881   8.6204   14.881   8.6204  170.990   79.577  170.990   79.577 -0.000000 0.000000 
1 1 1    0   38    2 o   44.243   22.817  -9.6146   4.8376  -9.6146   4.8376  -9.6146   4.8376   44.243   32.268   44.243   32.268 0.000000 0.000000 
1 1 1    0   38    4 o  139.333   52.290   12.784   7.9161   12.784   7.9161   12.784   7.9161  139.333   73.949  139.333   73.949 0.000000 0.000000 
1 1 1    0   38    6 o   63.736   31.845  -4.5944   6.6380  -4.5944   6.6380  -4.5944   6.6380   63.736   45.036   63.736   45.036 0.000000 0.000000 
1 1 1    0   38    8 o   82.966   40.116   1.0409   8.4582   1.0409   8.4582   1.0409   8.4582   82.966   56.732   82.966   56.732 -0.000000 0.000000 
1 1 1    0   38   10 o   61.268   29.548  -0.6469   4.5228  -0.6469   4.5228  -0.6469   4.5228   61.268   41.787   61.268   41.787 0.000000 0.000000 
1 1 1    0   38   12 o   54.314   26.768  -1.9145   4.2326  -1.9145   4.2326  -1.9145   4.2326   54.314   37.856   54.314   37.856 0.000000 0.000000 
1 1 1    0   38   14 o   47.641   24.600  -9.2279   5.7328  -9.2279   5.7328  -9.2279   5.7328   47.641   34.789   47.641   34.789 -0.000000 0.000000 
1 1 1    0   38   16 o   40.691   20.948  -6.3145   3.9709  -6.3145   3.9709  -6.3145   3.9709   40.691   29.624   40.691   29.624 -0.000000 0.000000 
1 1 1    0   39    3 o   92.143   42.064   5.0415   7.2837   5.0415   7.2837   5.0415   7.2837   92.143   59.487   92.143   59.487 0.000000 0.000000 
1 1 1    0   39    5 o   89.483   41.291   4.6502   7.2827   4.6502   7.2827   4.6502   7.2827   89.483   58.394   89.483   58.394 0.000000 0.000000 
1 1 1    0   39    7 o   57.063   29.325  -9.9581   7.5928  -9.9581   7.5928  -9.9581   7.5928   57.063   41.472   57.063   41.472 0.000000 0.000000 
1 1 1    0   39    9 o  129.828   53.381   16.330   9.1974   16.330   9.1974   16.330   9.1974  129.828   75.493  129.828   75.493 -0.000000 0.000000 
1 1 1    0   39   11 o   53.247   27.638 -12.8508   7.9126 -12.8508   7.9126 -12.8508   7.9126   53.247   39.086   53.247   39.086 0.000000 0.000000 
1 1 1    0   39   13 o   65.953   32.419   0.5104   6.0975   0.5104   6.0975   0.5104   6.0975   65.953   45.847   65.953   45.847 0.000000 0.000000 
1 1 1    0   40    2 o   65.616   33.127  -4.0604   7.8790  -4.0604   7.8790  -4.0604   7.8790   65.616   46.848   65.616   46.848 -0.000000 0.000000 
1 1 1    0   40    4 o  134.163   40.796   9.9997   4.5269   9.9997   4.5269   9.9997   4.5269  134.163   57.694  134.163   57.694 0.000000 0.000000 
1 1 1    0   40    6 o  132.189   51.328   15.557   7.8823   15.557   7.8823   15.557   7.8823  132.189   72.589  132.189   72.589 0.000000 0.000000 
1 1 1    0   40    8 o   47.237   24.219  -6.5262   5.0163  -6.5262   5.0163  -6.5262   5.0163   47.237   34.251   47.237   34.251 -0.000000 0.000000 
1 1 1    0   41    1 o  102.177   33.921   5.9311   3.1375   5.9311   3.1375   5.9311   3.1375  102.177   47.972  102.177   47.972 -0.000000 0.000000 
1 1 1    0   41    3 o   66.272   31.377   1.7839   4.6620   1.7839   4.6620   1.7839   4.6620   66.272   44.373   66.272   44.373 0.000000 0.000000 
1 1 1    1    0    3 o  1038.63   10.691  307.934   8.9510  307.934   8.9510  307.934   8.9510  1038.63   15.119  1038.63   15.119 -0.000000 0.000000 
1 1 1    1    0    5 o  1222.51   12.566  426.669   12.384  426.669   12.384  426.669   12.384  1222.51   17.771  1222.51   17.771 -0.000000 0.000000 
1 1 1    1    0    7 o  494.626   10.353   69.965   4.1220   69.965   4.1220   69.965   4.1220  494.626   14.642  494.626   14.642 -0.000000 0.000000 
1 1 1    1    0    9 o  643.763   10.437  118.385   5.4123  118.385   5.4123  118.385   5.4123  643.763   14.760  643.763   14.760 -0.000000 0.000000 
1 1 1    1    0   11 o  541.592   10.491   83.845   4.5746   83.845   4.5746   83.845   4.5746  541.592   14.836  541.592   14.836 0.000000 0.000000 
1 1 1    1    0   13 o  604.192   10.550  104.314   5.1339  104.314   5.1339  104.314   5.1339  604.192   14.920  604.192   14.920 0.000000 0.000000 
1 1 1    1    0   15 o  807.788   15.120  186.669   9.8349  186.669   9.8349  186.669   9.8349  807.788   21.383  807.788   21.383 0.000000 0.000000 
1 1 1    1    0   17 o  339.432   16.324   33.379   4.4214   33.379   4.4214   33.379   4.4214  339.432   23.086  339.432   23.086 -0.000000 0.000000 
1 1 1    1    0   19 o  114.094   12.152   3.9607   1.0432   3.9607   1.0432   3.9607   1.0432  114.094   17.185  114.094   17.185 0.000000 0.000000 
1 1 1    1    0   21 o  155.019   23.688   7.7624   2.5976   7.7624   2.5976   7.7624   2.5976  155.019   33.500  155.019   33.500 0.000000 0.000000 
1 1 1    1    0   23 o  305.461   14.849   27.019   3.6183   27.019   3.6183   27.019   3.6183  305.461   20.999  305.461   20.999 0.000000 0.000000 
1 1 1    1    0   25 o  432.255   19.214   54.037   6.6378   54.037   6.6378   54.037   6.6378  432.255   27.173  432.255   27.173 -0.000000 0.000000 
1 1 1    1    0   27 o  724.682   10.903  150.121   6.3657  150.121   6.3657  150.121   6.3657  724.682   15.419  724.682   15.419 0.000000 0.000000 
1 1 1    1    0   29 o   47.970   24.272  -6.6987   4.3251  -6.6987   4.3251  -6.6987   4.3251   47.970   34.326   47.970   34.326 -0.000000 0.000000 
1 1 1    1    0   31 o  236.199   42.560   19.187   7.0093   19.187   7.0093   19.187   7.0093  236.199   60.188  236.199   60.188 -0.000000 0.000000 
1 1 1    1    0   33 o  128.223   48.335   7.5785   6.7905   7.5785   6.7905   7.5785   6.7905  128.223   68.356  128.223   68.356 0.000000 0.000000 
1 1 1    1    0   35 o   65.999   30.686  -0.2447   4.1366  -0.2447   4.1366  -0.2447   4.1366   65.999   43.397   65.999   43.397 -0.000000 0.000000 
1 1 1    1    0   37 o   76.431   33.405   2.0379   4.0617   2.0379   4.0617   2.0379   4.0617   76.431   47.242   76.431   47.242 -0.000000 0.000000 
1 1 1    1    0   39 o   42.508   21.707  -5.9312   3.8286  -5.9312   3.8286  -5.9312   3.8286   42.508   30.698   42.508   30.698 0.000000 0.000000 
1 1 1    1    0   41 o   36.857   18.737  -3.5758   2.7073  -3.5758   2.7073  -3.5758   2.7073   36.857   26.498   36.857   26.498 0.000000 0.000000 
1 1 1    1    1    0 o  832.869   3.0225  197.818   2.0302  197.818   2.0302  197.818   2.0302  832.869   4.2745  832.869   4.2745 -0.000000 0.000000 
1 1 1    1    1    2 o  1237.17   12.566  437.015   8.8656  439.415   12.538  434.614   12.537  1240.58   17.722  1233.77   17.819 6.805298 25.13157 
1 1 1    1    1    4 o  1844.24   11.736  970.879   12.343  975.671   17.457  966.088   17.455  1848.80   16.557  1839.69   16.638 9.111084 23.47219 
1 1 1    1    1    6 o  658.593   9.6914  123.456   3.5951  121.906   4.7136  125.612   5.5587  653.691   12.644  663.495   14.691 -9.804260 19.38276 
1 1 1    1    1    8 o  1244.67   10.933  441.997   7.7602  443.881   10.975  440.113   10.974  1247.33   15.429  1242.02   15.494 5.308350 21.86552 
1 1 1    1    1   10 o  1486.38   11.270  630.284   9.5529  630.658   13.511  629.911   13.508  1486.82   15.935  1485.94   15.941 0.8809814 22.53940 
1 1 1    1    1   12 o  749.121   10.582  160.106   4.5204  158.037   6.3912  162.178   6.3944  744.276   15.058  753.967   14.871 -9.690979 21.16346 
1 1 1    1    1   14 o  614.978   13.616  107.722   4.6875  106.605   6.0592  109.385   7.3975  611.099   17.386  618.857   20.961 -7.757690 27.23290 
1 1 1    1    1   16 o  120.562   15.441   3.8052   0.9942   2.8183   1.2046   5.9143   1.7609   97.328   22.194  143.795   21.474 -46.46661 30.88190 
1 1 1    1    1   18 f  668.237   11.623  127.451   4.3761  129.022   6.7492  126.312   5.7481  671.653   17.620  664.821   15.161 6.831909 23.24520 
1 1 1    1    1   20 o  359.885   10.572   35.581   1.8343   39.702   3.8998   34.410   2.0786  372.563   18.355  347.208   10.498 25.35550 21.14475 
1 1 1    1    1   22 o  334.973   17.408   32.465   3.2070   33.441   4.0669   30.860   5.2151  341.909   20.857  328.037   27.877 13.87280 34.81585 
1 1 1    1    1   24 o  651.146   13.735  121.113   5.0982  116.156   7.1228  126.320   7.3003  637.480   19.593  664.813   19.255 -27.33258 27.47066 
1 1 1    1    1   26 o  250.830   23.992   18.094   3.4307   17.773   4.7749   18.435   4.9323  248.553   33.686  253.107   34.171 -4.553314 47.98318 
1 1 1    1    1   28 o  135.015   30.381   5.2466   2.6310   4.8366   3.9490   5.5739   3.5281  132.351   44.384  137.678   41.498 -5.327072 60.76247 
1 1 1    1    1   30 o  315.768   27.096   29.334   4.8464   33.343   6.8822   25.390   6.8260  337.815   35.723  293.721   40.751 44.09427 54.19231 
1 1 1    1    1   32 o  145.561   38.919   3.6178   4.9633   10.102   6.9838  -2.9998   7.0551  179.327   58.987  111.797   50.788 67.53001 77.83862 
1 1 1    1    1   34 o   94.239   28.254  -0.0102   2.8284  -3.3964   4.2382   2.7088   3.7977   79.840   37.350  108.638   42.405 -28.79729 56.50861 
1 1 1    1    1   36 o   90.600   28.090   0.2251   2.7782  -0.2671   4.1351   0.6301   3.7509   89.983   40.038   91.218   39.410 -1.235260 56.17973 
1 1 1    1    1   38 o   88.208   27.627   0.2627   2.8400  -1.9454   4.0295   2.4423   4.0034   77.493   36.305   98.923   41.654 -21.43010 55.25459 
1 1 1    1    1   40 o   73.366   24.385  -0.8396   2.6157  -0.1100   3.4783  -1.7892   3.9684   74.795   34.594   71.937   34.378 2.857376 48.77088 
1 1 1    1    2    1 o  1186.88   18.643  401.499   11.910  406.862   20.644  398.823   14.582  1192.24   30.363  1181.51   21.641 10.72986 37.28602 
1 1 1    1    2    3 o  990.213   12.186  279.918   6.8812  278.592   9.7316  281.244   9.7313  987.866   17.274  992.561   17.192 -4.695313 24.37107 
1 1 1    1    2    5 o  709.580   13.354  143.587   5.2964  144.541   8.3794  142.952   6.8350  711.456   20.652  707.703   16.935 3.752625 26.70813 
1 1 1    1    2    7 o  1622.04   12.333  749.917   11.298  744.348   14.948  757.338   17.255  1615.11   16.229  1628.97   18.575 -13.85339 24.66578 
1 1 1    1    2    9 o  1138.44   10.814  369.738   7.0206  372.647   9.9299  366.830   9.9272  1142.92   15.235  1133.96   15.351 8.960815 21.62765 
1 1 1    1    2   11 o  1218.19   11.818  423.086   8.1296  425.539   12.415  421.245   10.757  1221.23   17.825  1215.15   15.523 6.080566 23.63685 
1 1 1    1    2   13 o  229.111   13.145   15.020   1.7091   13.243   2.4063   16.829   2.4279  215.390   19.590  242.831   17.532 -27.44154 26.28967 
1 1 1    1    2   15 o  1375.92   22.470  542.706   17.631  545.169   24.971  540.256   24.899  1379.04   31.751  1372.80   31.803 6.239868 44.94006 
1 1 1    1    2   17 o  493.134   10.718   69.634   2.7868   69.888   3.3570   69.072   4.9982  494.769   11.897  491.500   17.832 3.269043 21.43651 
1 1 1    1    2   19 o  270.350   11.990   20.905   1.8480   21.520   2.6151   20.291   2.6117  274.336   16.715  266.364   17.193 7.971863 23.97933 
1 1 1    1    2   21 o  342.929   9.7434   33.499   1.6114   33.749   3.3424   33.424   1.8393  343.614   17.057  342.244   9.4237 1.370331 19.48685 
1 1 1    1    2   23 o   87.387   25.258   0.3190   2.0442   2.0970   3.1078  -1.0366   2.7138  101.839   38.719   72.934   32.445 28.90521 50.51551 
1 1 1    1    2   25 o  485.919   13.724   67.507   3.8024   67.937   5.3391   67.065   5.4166  487.503   19.204  484.336   19.610 3.167053 27.44756 
1 1 1    1    2   27 o  381.611   15.860   40.827   3.1131   39.691   3.6562   43.823   5.9364  372.549   17.209  390.673   26.645 -18.12354 31.71919 
1 1 1    1    2   29 o   83.055   27.495  -5.3192   3.1694  -7.6008   4.0425  -1.6797   5.1057   66.029   32.287  100.081   44.512 -34.05202 54.98919 
1 1 1    1    2   31 o  174.230   40.442   8.3388   4.7695   13.347   7.3578   4.7093   6.2637  205.182   59.445  143.278   54.850 61.90433 80.88387 
1 1 1    1    2   33 o  162.276   37.716   8.4030   4.0337   8.3129   5.5538   8.5036   5.8681  161.345   52.579  163.207   54.088 -1.861649 75.43292 
1 1 1    1    2   35 o  111.341   29.712   1.2812   3.0661   7.1915   4.4639  -3.9977   4.2187  146.189   47.098   76.492   36.236 69.69739 59.42442 
1 1 1    1    2   37 o   89.607   28.231   0.0163   2.9275   0.8909   4.1963  -0.8130   4.0862   94.289   41.199   84.925   38.608 9.364006 56.46202 
1 1 1    1    2   39 o   74.424   24.296  -1.6944   2.3315  -3.8245   2.9184   2.0637   3.8763   56.948   27.756   91.901   39.883 -34.95276 48.59105 
1 1 1    1    2   41 o   55.568   19.711  -6.7679   2.7008  -6.2951   3.9055  -7.2013   3.7389   57.123   28.580   54.012   27.154 3.111111 39.42260 
1 1 1    1    3    0 o  1079.36   15.112  332.896   13.143  332.896   13.143  332.896   13.143  1079.36   21.371  1079.36   21.371 -0.000000 0.000000 
1 1 1    1    3    2 o  1202.95   18.808  414.359   12.154  412.032   21.053  415.522   14.886  1199.85   30.767  1206.05   21.642 -6.203491 37.61698 
1 1 1    1    3    4 o  1120.60   13.580  356.079   8.5271  371.447   13.493  345.860   11.003  1140.47   20.746  1100.73   17.528 39.73816 27.15928 
1 1 1    1    3    6 o  547.359   11.132   85.357   3.4412   86.442   5.2600   84.544   4.5499  550.371   16.759  544.347   14.657 6.024109 22.26359 
1 1 1    1    3    8 o  1364.96   14.295  532.531   10.896  527.677   17.216  535.774   14.074  1359.64   22.203  1370.28   18.010 -10.63989 28.58899 
1 1 1    1    3   10 o  1147.10   11.762  376.534   7.6046  383.142   10.066  367.748   11.607  1158.91   15.230  1135.29   17.928 23.61987 23.52366 
1 1 1    1    3   12 f  534.452   10.516   81.495   3.2050   82.435   4.5342   80.555   4.5310  537.537   14.791  531.368   14.952 6.169189 21.03204 
1 1 1    1    3   14 o  744.450   15.042  158.323   6.3857  155.939   9.0261  160.712   9.0353  738.829   21.422  750.071   21.123 -11.24176 30.08439 
1 1 1    1    3   16 o  252.665   15.499   18.554   2.1486   17.159   3.4863   19.408   2.7283  244.759   24.977  260.572   18.360 -15.81346 30.99894 
1 1 1    1    3   18 o  830.130   12.516  197.104   5.9250  197.602   8.3723  196.605   8.3861  831.184   17.663  829.075   17.737 2.109497 25.03113 
1 1 1    1    3   20 o  249.248   15.347   17.824   2.1741   16.109   3.0677   19.555   3.0817  237.128   22.685  261.368   20.675 -24.23985 30.69316 
1 1 1    1    3   22 o  363.678   11.969   35.527   2.2716   32.543   2.6660   43.436   4.3403  337.595   13.847  389.761   19.527 -52.16623 23.93806 
1 1 1    1    3   24 o  684.671   14.842  132.507   5.3341  137.963   9.7577  130.181   6.3702  694.246   24.646  675.096   16.546 19.15009 29.68478 
1 1 1    1    3   26 o  244.295   21.067   16.665   2.7102   18.378   4.9909   15.948   3.2275  252.643   34.640  235.947   23.986 16.69537 42.13402 
1 1 1    1    3   28 o  437.091   19.491   54.848   4.8421   53.163   6.5425   56.888   7.2000  429.824   26.691  444.358   28.412 -14.53427 38.98278 
1 1 1    1    3   30 o  162.464   38.542   7.2223   4.4962   11.210   6.1952   2.7841   6.5355  190.142   54.389  134.786   54.625 55.35556 77.08463 
1 1 1    1    3   32 o  208.987   26.188   13.608   2.9465   11.375   4.5811   15.183   3.8481  190.517   43.164  227.457   29.666 -36.93983 52.37534 
1 1 1    1    3   34 o   96.397   30.161  -1.0092   3.3994  -4.1871   5.1405   1.4606   4.5318   86.786   40.769  106.009   44.460 -19.22392 60.32288 
1 1 1    1    3   36 o   96.164   28.802   0.7997   2.8870   3.1752   3.9060  -2.0607   4.2861  109.107   42.884   83.221   38.460 25.88628 57.60376 
1 1 1    1    3   38 o   90.895   28.547   0.8242   2.9585   1.5479   4.3138   0.1816   4.0652   95.163   41.671   86.626   39.029 8.537323 57.09422 
1 1 1    1    3   40 o   87.619   38.728  -6.2155   2.4890 -12.5090   3.2895   2.2141   3.8070  ?   ?    87.619   38.728      ?      ? 
1 1 1    1    4    1 o  765.720   14.710  167.466   6.4237  167.594   9.0848  167.338   9.0841  766.013   20.796  765.427   20.811 0.5865479 29.42049 
1 1 1    1    4    3 o  1435.54   19.318  589.136   14.909  589.053   18.261  589.304   25.822  1436.02   22.298  1435.05   31.552 0.9683838 38.63617 
1 1 1    1    4    5 o  1191.90   15.352  405.673   10.435  410.693   14.760  400.657   14.754  1199.28   21.581  1184.52   21.841 14.76318 30.70467 
1 1 1    1    4    7 o  1555.79   11.329  690.613   10.051  698.109   14.216  683.121   14.213  1564.23   15.937  1547.34   16.107 16.89246 22.65821 
1 1 1    1    4    9 o  704.518   10.478  141.591   4.2098  141.048   5.9533  142.134   5.9537  703.166   14.846  705.870   14.790 -2.704041 20.95591 
1 1 1    1    4   11 o  1472.62   12.188  619.652   10.122  624.837   13.389  612.733   15.465  1479.90   15.864  1465.35   18.506 14.54944 24.37509 
1 1 1    1    4   13 o  778.547   13.666  172.671   5.9486  171.160   7.6725  174.947   9.4185  774.379   17.374  782.714   21.100 -8.335754 27.33244 
1 1 1    1    4   15 o  605.488   15.111  104.822   5.2164  107.858   7.4007  101.825   7.3538  614.218   21.128  596.757   21.608 17.46155 30.22099 
1 1 1    1    4   17 o  371.329   10.381   36.891   1.9527   44.902   3.9219   34.251   2.2516  396.280   17.354  346.377   11.398 49.90326 20.76275 
1 1 1    1    4   19 o  159.316   16.883   7.4838   1.4325   7.0089   2.3446   7.7667   1.8095  153.893   27.735  164.738   19.260 -10.84462 33.76648 
1 1 1    1    4   21 o  547.381   11.348   85.610   3.5416   87.869   5.0248   83.380   4.9925  554.568   15.888  540.195   16.206 14.37360 22.69505 
1 1 1    1    4   23 o  237.667   14.988   15.673   1.9434   14.611   2.3849   17.772   3.3527  226.118   18.494  249.215   23.590 -23.09727 29.97558 
1 1 1    1    4   25 o  608.852   13.368  107.070   4.2874  103.065   7.6420  108.910   5.1793  600.154   22.328  617.550   14.706 -17.39636 26.73614 
1 1 1    1    4   27 o  144.259   33.989   5.2737   3.5698   8.9443   4.9051   1.1399   5.2054  172.508   48.067  116.010   48.069 56.49829 67.97890 
1 1 1    1    4   29 o  331.148   31.190   32.221   5.8662   36.034   8.4011   28.592   8.1948  350.731   42.002  311.566   46.121 39.16443 62.38005 
1 1 1    1    4   31 o  134.701   38.574   1.3268   4.0797   7.5753   8.3558  -0.6290   4.6748  170.005   63.744   99.396   43.456 70.60921 77.14717 
1 1 1    1    4   33 o  109.487   32.978   0.5099   3.6314   2.7888   5.5166  -1.2327   4.8241  122.888   50.044   96.086   42.963 26.80188 65.95612 
1 1 1    1    4   35 o  114.851   32.064   3.3270   3.0938   2.8909   4.6992   3.6606   4.1103  113.910   46.265  115.791   44.407 -1.880798 64.12833 
1 1 1    1    4   37 o  120.677   30.200   3.5298   3.1972   9.6773   4.5308  -2.5678   4.5124  159.867   46.743   81.487   38.253 78.38023 60.40068 
1 1 1    1    4   39 o   63.587   22.187  -5.9046   2.8989  -6.0352   4.1944  -5.7852   4.0109   64.149   31.666   63.025   31.084 1.123566 44.37311 
1 1 1    1    4   41 f   63.313   22.089  -3.9512   2.8059  -5.9411   3.7751  -1.4950   4.1942   56.443   28.218   70.182   33.991 -13.73848 44.17726 
1 1 1    1    5    0 o  186.036   15.323   10.272   2.2177   10.272   2.2177   10.272   2.2177  186.036   21.670  186.036   21.670 -0.000000 0.000000 
1 1 1    1    5    2 o  1317.64   15.552  495.891   11.685  490.280   16.525  501.504   16.526  1310.17   22.117  1325.11   21.869 -14.93665 31.10318 
1 1 1    1    5    4 o  1641.49   16.207  769.571   15.171  758.669   21.455  780.473   21.455  1629.84   23.083  1653.13   22.758 -23.29187 32.41496 
1 1 1    1    5    6 o  501.939   14.632   71.916   4.1882   72.921   5.9248   70.913   5.9212  505.448   20.554  498.431   20.831 7.016266 29.26461 
1 1 1    1    5    8 o  985.210   10.670  276.896   5.9947  276.808   8.4788  276.983   8.4768  985.054   15.093  985.366   15.085 -0.3120728 21.33904 
1 1 1    1    5   10 o  1095.85   11.703  343.002   7.2345  345.251   9.5693  340.001   11.052  1100.10   15.253  1091.61   17.754 8.489502 23.40644 
1 1 1    1    5   12 o  287.333   6.8946   23.575   1.1269   25.656   1.6006   21.530   1.5868  299.923   9.3581  274.743   10.128 25.17920 13.78925 
1 1 1    1    5   14 o  949.083   12.467  257.247   6.7472  260.506   9.5475  253.995   9.5365  955.097   17.529  943.070   17.732 12.02771 24.93332 
1 1 1    1    5   16 o  199.250   14.259   11.376   1.6141   12.602   2.2951   10.177   2.2704  209.915   19.172  188.586   21.111 21.32872 28.51735 
1 1 1    1    5   18 f  654.210   11.263  123.246   4.0895  126.450   5.2519  118.312   6.5178  665.292   13.842  643.129   17.771 22.16241 22.52576 
1 1 1    1    5   20 o  562.663   11.194   90.463   3.5904   93.917   5.1088   87.092   5.0470  573.289   15.626  552.037   16.031 21.25183 22.38713 
1 1 1    1    5   22 o  116.507   26.543   3.8085   2.0080   3.4122   2.9787   4.1386   2.7185  113.277   38.545  119.737   36.502 -6.459846 53.08620 
1 1 1    1    5   24 o  719.631   11.988  147.928   4.9196  145.621   6.9228  150.280   6.9926  713.961   17.003  725.300   16.905 -11.33893 23.97662 
1 1 1    1    5   26 o  346.684   19.283   36.364   3.3633   30.391   6.2145   38.837   3.9996  324.889   33.541  368.480   19.033 -43.59119 38.56531 
1 1 1    1    5   28 o  214.558   31.515   14.844   3.9204   22.724   5.3487   5.6959   5.7631  280.194   33.473  148.922   53.406 131.2720 63.02922 
1 1 1    1    5   30 o  281.203   30.802   23.224   4.9176   26.086   7.3658   20.922   6.6052  296.703   43.532  265.703   43.591 31.00003 61.60484 
1 1 1    1    5   32 f  108.652   33.516  -1.0434   4.0377   2.2389   5.7945  -4.1411   5.6293  123.405   50.889   93.898   43.632 29.50706 67.03274 
1 1 1    1    5   34 o  112.586   30.399   2.5696   2.9613   5.6773   4.1060  -0.7990   4.2749  134.109   45.256   91.064   40.600 43.04423 60.79899 
1 1 1    1    5   36 o  112.828   32.540   3.0909   3.3440   1.7654   4.7633   4.3791   4.6958  105.012   44.873  120.643   47.136 -15.63175 65.07983 
1 1 1    1    5   38 o   96.416   27.518   2.5738   2.3572   3.9454   3.4908   1.4243   3.1958  106.489   40.904   86.343   36.822 20.14625 55.03609 
1 1 1    1    5   40 o   93.597   28.348   3.3922   2.6362   3.1399   3.3092   3.8303   4.3612   91.016   38.070   96.179   42.014 -5.163818 56.69643 
1 1 1    1    6    1 o  933.899   18.278  248.658   9.1855  250.867   15.914  247.554   11.248  936.686   29.792  931.112   21.183 5.573547 36.55520 
1 1 1    1    6    3 o  810.721   18.205  188.187   7.9282  189.021   9.7127  186.523   13.724  813.676   20.931  807.766   29.793 5.910400 36.41078 
1 1 1    1    6    5 o  886.672   14.952  224.424   7.5601  221.517   10.692  227.332   10.692  880.922   21.282  892.423   21.008 -11.50073 29.90392 
1 1 1    1    6    7 o  1552.27   19.751  690.647   16.456  680.718   28.490  695.618   20.160  1543.45   32.367  1561.09   22.644 -17.64233 39.50182 
1 1 1    1    6    9 o  1187.34   14.069  402.088   9.3417  401.179   12.074  403.443   14.745  1185.77   17.855  1188.92   21.747 -3.158936 28.13775 
1 1 1    1    6   11 o  832.753   13.333  196.641   6.0828  193.410   7.5804  202.482   10.193  823.310   16.145  842.195   21.224 -18.88458 26.66644 
1 1 1    1    6   13 o  990.498   12.474  280.108   7.0460  278.133   9.9670  282.081   9.9620  987.004   17.707  993.993   17.574 -6.989685 24.94782 
1 1 1    1    6   15 o  405.954   12.516   47.112   2.8961   45.415   4.0982   48.805   4.0932  398.632   18.027  413.276   17.367 -14.64468 25.03205 
1 1 1    1    6   17 o   98.536   18.539   2.9949   1.0766   1.9994   1.7346   3.6187   1.3731   86.681   29.415  110.391   22.573 -23.71011 37.07765 
1 1 1    1    6   19 o  245.182   13.455   16.007   1.6598   19.771   3.3790   14.809   1.9055  262.696   22.555  227.667   14.676 35.02892 26.90947 
1 1 1    1    6   21 o  802.608   11.686  185.092   5.2460  189.624   6.8320  178.580   8.1890  814.819   14.703  790.396   18.167 24.42249 23.37146 
1 1 1    1    6   23 o  657.352   11.710  123.658   4.3816  117.630   6.2838  129.362   6.1128  641.689   17.171  673.015   15.926 -31.32599 23.42021 
1 1 1    1    6   25 o  785.388   13.629  176.665   6.0423  178.478   8.0183  174.283   9.1915  790.219   17.793  780.556   20.649 9.662598 27.25705 
1 1 1    1    6   27 f  366.184   18.155   41.082   3.2572   43.995   3.8247   33.389   6.2144  392.151   17.102  340.217   32.030 51.93405 36.30941 
1 1 1    1    6   29 o  186.128   39.229   10.874   4.5797   7.1138   7.4663   13.143   5.7986  165.866   60.602  206.390   49.831 -40.52338 78.45853 
1 1 1    1    6   31 o  216.826   35.775   14.970   4.3825   18.067   6.1592   11.794   6.2370  241.100   46.480  192.551   54.397 48.54861 71.55070 
1 1 1    1    6   33 o  144.140   35.323   6.2572   3.6157   8.2233   5.1363   4.3258   5.0908  159.012   50.446  129.268   49.457 29.74304 70.64597 
1 1 1    1    6   35 o   95.458   28.529   0.9856   2.7692  -4.3517   5.4289   2.8628   3.2195   87.236   41.261  103.680   39.411 -16.44431 57.05893 
1 1 1    1    6   37 o  137.948   29.996   6.9012   2.9005   2.8907   4.1755   10.641   4.0322  104.540   43.163  171.356   41.665 -66.81539 59.99200 
1 1 1    1    6   39 f   97.660   29.277   3.2670   2.8891   1.7089   4.5664   4.3071   3.7308   91.283   41.224  104.037   41.583 -12.75378 58.55380 
1 1 1    1    6   41 o   81.761   27.618   1.4750   3.6284  -0.5746   5.0676   3.6312   5.1976   75.508   36.753   88.015   41.234 -12.50697 55.23568 
1 1 1    1    7    0 f  796.279   14.837  181.280   9.5134  181.280   9.5134  181.280   9.5134  796.279   20.983  796.279   20.983 -0.000000 0.000000 
1 1 1    1    7    2 o  477.585   15.362   62.316   2.9810   69.185   7.9143   61.181   3.2181  492.054   28.204  463.116   12.185 28.93710 30.72319 
1 1 1    1    7    4 o  2118.90   21.273  1283.27   24.233  1284.06   29.683  1281.69   41.961  2120.61   24.545  2117.19   34.753 3.423584 42.54686 
1 1 1    1    7    6 o  2057.76   24.354  1208.85   28.579   0.0000   0.0000  1208.85   28.579  ?   ?   2057.76   24.354      ?      ? 
1 1 1    1    7    8 o  671.445   20.944  128.665   8.0198   0.0000   0.0000  128.665   8.0198  ?   ?   671.445   20.944      ?      ? 
1 1 1    1    7   10 o  1466.91   19.698  619.729   15.486  629.685   18.986  599.944   26.765  1485.14   22.417  1448.68   32.397 36.45313 39.39658 
1 1 1    1    7   12 o  432.168   10.601   54.110   2.4249   55.553   2.9481   51.092   4.2637  441.280   11.715  423.055   17.672 18.22433 21.20267 
1 1 1    1    7   14 o  732.894   10.260  153.444   4.2727  154.382   5.8093  152.339   6.3062  735.378   13.852  730.411   15.139 4.966736 20.52028 
1 1 1    1    7   16 o  486.769   13.897   67.461   3.7877   69.565   5.9931   66.062   4.8876  492.904   21.321  480.634   17.832 12.27011 27.79443 
1 1 1    1    7   18 o  402.880   11.504   48.281   2.3085   50.473   2.7109   42.501   4.4033  420.456   11.306  385.304   20.039 35.15274 23.00847 
1 1 1    1    7   20 o   92.376   22.506   2.0120   1.5590   3.4767   2.1060   0.2364   2.3188  109.003   31.867   75.749   31.788 33.25406 45.01112 
1 1 1    1    7   22 o  923.593   11.262  243.622   5.9304  244.158   8.4860  243.110   8.2912  924.571   16.094  922.616   15.758 1.954346 22.52419 
1 1 1    1    7   24 o  800.941   11.546  184.706   5.2289  168.331   7.6879  198.801   7.1327  767.532   17.564  834.349   14.990 -66.81665 23.09113 
1 1 1    1    7   26 o  247.158   33.393   18.268   4.5681   23.517   6.5564   13.316   6.3682  284.987   40.341  209.329   53.226 75.65836 66.78590 
1 1 1    1    7   28 o  332.896   23.511   31.941   4.4496   35.637   6.5388   28.752   6.0725  350.833   32.681  314.959   33.808 35.87408 47.02208 
1 1 1    1    7   30 o  275.774   26.287   22.781   4.0203   20.104   6.2304   24.691   5.2625  260.505   41.938  291.043   31.706 -30.53778 52.57461 
1 1 1    1    7   32 f  175.756   35.123   9.7784   4.1377   15.678   5.7191   3.2985   5.9936  221.531   46.739  129.981   52.439 91.55034 70.24506 
1 1 1    1    7   34 o  125.767   35.194   3.4875   3.9631   6.7171   5.4563  -0.1190   5.7659  144.371   51.945  107.162   47.499 37.20896 70.38771 
1 1 1    1    7   36 o  117.485   33.262   4.0264   3.3842   3.7275   4.7729   4.3287   4.7993  115.496   46.725  119.474   47.351 -3.978348 66.52345 
1 1 1    1    7   38 o   87.236   27.980   0.3636   3.0009   0.9134   4.4450  -0.0968   4.0678   90.780   40.864   83.693   38.231 7.087112 55.95919 
1 1 1    1    7   40 o   66.911   23.254  -3.8992   3.0840  -3.7882   4.3233  -4.0142   4.4006   66.915   32.858   66.908   32.914 0.6797791E-02 46.50755 
1 1 1    1    8    1 o  1477.92   19.423  623.029   15.442  626.468   26.750  621.310   18.911  1480.55   31.682  1475.28   22.478 5.275146 38.84575 
1 1 1    1    8    3 f  165.636   15.700   7.8437   1.4794   7.2115   2.0918   8.4764   2.0927  158.940   23.078  172.331   21.293 -13.39075 31.40074 
1 1 1    1    8    5 o  988.633   18.645  281.179   9.8756  285.335   12.100  272.886   17.092  999.895   21.219  977.371   30.665 22.52472 37.29044 
1 1 1    1    8    7 o  2320.77   21.996  1539.32   27.435  1536.91   47.533  1540.52   33.595  2318.66   35.948  2322.87   25.360 -4.211914 43.99286 
1 1 1    1    8   11 o  1020.42   18.735  296.691   10.268  300.321   17.873  294.903   12.544  1024.67   30.587  1016.17   21.646 8.493408 37.47097 
1 1 1    1    8   13 o  1187.64   11.926  403.636   7.9869  397.271   12.195  408.416   10.569  1179.28   18.134  1196.00   15.495 -16.72034 23.85238 
1 1 1    1    8   15 o  251.689   10.254   17.230   1.1380   16.759   1.2511   19.484   2.7393  242.351   9.0522  261.028   18.402 -18.67662 20.50759 
1 1 1    1    8   17 o  518.560   10.428   77.566   2.6431   78.261   3.0440   75.436   5.3283  523.619   10.194  513.501   18.195 10.11798 20.85621 
1 1 1    1    8   19 o  499.924   14.483   71.297   3.7942   70.948   4.5392   72.108   6.9120  498.256   15.975  501.593   24.163 -3.337219 28.96669 
1 1 1    1    8   21 o  1104.24   12.132  347.385   7.5746  340.916   10.031  355.966   11.554  1092.45   16.101  1116.04   18.153 -23.58350 24.26463 
1 1 1    1    8   23 o  930.423   11.326  247.310   6.0016  246.060   8.7031  248.443   8.2873  928.140   16.443  932.706   15.580 -4.566162 22.65174 
1 1 1    1    8   25 o  454.381   12.875   58.799   3.2350   58.090   4.0896   59.984   5.2877  450.884   15.905  457.878   20.250 -6.994171 25.74922 
1 1 1    1    8   27 o  159.497   36.187   6.9114   4.1626   11.480   5.5517   1.0457   6.2909  193.932   49.907  125.061   52.414 68.87109 72.37312 
1 1 1    1    8   29 f  118.993   32.596   2.3192   3.0613   4.8282   5.2076   0.9943   3.7843  138.426   50.607   99.561   41.098 38.86537 65.19260 
1 1 1    1    8   31 o  158.244   37.753   7.6935   3.9669   8.7660   4.7083   5.0696   7.3643  166.918   47.301  149.570   58.853 17.34872 75.50512 
1 1 1    1    8   33 o  155.568   36.189   7.8932   3.7315   8.9781   5.3554   6.8694   5.2023  163.981   51.446  147.156   50.909 16.82481 72.37753 
1 1 1    1    8   35 o  141.259   29.409   7.1077   2.6871   8.9640   3.3782   3.9100   4.4338  164.902   36.850  117.616   45.844 47.28644 58.81844 
1 1 1    1    8   37 o   80.888   26.571  -1.8479   2.9484   0.2544   4.4041  -3.5553   3.9690   90.305   40.661   71.471   34.216 18.83405 53.14138 
1 1 1    1    8   39 o   83.466   26.727   1.0070   2.7768  -0.6267   4.3918   2.0951   3.5841   79.488   37.447   87.445   38.146 -7.957397 53.45455 
1 1 1    1    9    0 o  330.258   14.913   31.494   3.9349   31.494   3.9349   31.494   3.9349  330.258   21.089  330.258   21.089 -0.000000 0.000000 
1 1 1    1    9    2 o  1194.65   18.923  408.506   12.144  404.660   21.017  410.433   14.880  1190.13   30.966  1199.18   21.758 -9.045044 37.84550 
1 1 1    1    9    4 o  3162.72   29.001  2861.61   52.308  2869.18   73.981  2854.04   73.969  3166.92   40.963  3158.53   41.065 8.391357 58.00282 
1 1 1    1    9    6 o  1083.66   15.276  335.200   9.4386  342.351   13.349  328.051   13.347  1095.23   21.373  1072.09   21.830 23.13904 30.55102 
1 1 1    1    9   10 o  658.185   21.162  123.887   7.9428  122.622   11.244  125.146   11.221  654.822   30.110  661.549   29.743 -6.726440 42.32360 
1 1 1    1    9   12 o  279.118   7.1794   22.408   1.1269   21.020   1.7133   23.467   1.4961  271.422   11.068  286.815   9.1469 -15.39355 14.35885 
1 1 1    1    9   14 o  297.793   11.886   25.200   1.2661   25.528   3.8166   25.159   1.3421  298.620   22.411  296.966   7.9248 1.653107 23.77125 
1 1 1    1    9   16 o  603.289   11.440  104.035   3.8101  103.988   4.8176  104.112   6.2257  603.306   14.002  603.273   18.096 0.3289795E-01 22.88090 
1 1 1    1    9   18 o  480.650   9.2586   66.953   2.3888   68.994   2.9451   63.029   4.0844  491.647   10.504  469.652   15.250 21.99466 18.51719 
1 1 1    1    9   20 o  638.780   8.8253  116.468   3.1848  116.609   4.8483  116.362   4.2240  639.069   13.303  638.491   11.601 0.5780029 17.65060 
1 1 1    1    9   22 o  489.681   12.516   68.507   3.4938   71.136   4.9663   65.931   4.9161  498.995   17.452  480.368   17.946 18.62750 25.03236 
1 1 1    1    9   24 o  151.126   29.404   6.8005   2.6132   6.8417   3.6357   6.7565   3.7587  151.465   41.060  150.787   42.099 0.6782227 58.80723 
1 1 1    1    9   26 o  419.798   24.113   50.889   5.7678   53.702   8.2168   48.157   8.0983  431.340   33.403  408.256   34.783 23.08466 48.22506 
1 1 1    1    9   28 o  439.835   19.403   56.978   4.6549   51.626   7.5996   60.191   5.8888  422.109   31.570  457.561   22.568 -35.45175 38.80677 
1 1 1    1    9   30 o  171.978   30.041   9.8044   3.5952  -0.3501   5.9608   15.611   4.5074  113.420   49.340  230.536   34.284 -117.1157 60.08213 
1 1 1    1    9   32 o  133.170   35.246   4.2431   3.8402   7.5707   5.3337   0.6616   5.5335  154.710   51.581  111.630   48.048 43.07939 70.49247 
1 1 1    1    9   34 o   99.307   31.664  -0.9377   3.7514  -0.9721   4.9374  -0.8908   5.7698   95.581   43.043  103.032   46.452 -7.451073 63.32787 
1 1 1    1    9   36 o  110.504   32.265   3.0774   3.3972   4.8348   4.5837   0.9355   5.0602  120.540   46.715  100.468   44.517 20.07123 64.52921 
1 1 1    1    9   38 o  102.039   30.606   3.0788   3.2125   0.4354   4.4744   5.8908   4.6150   87.170   39.923  116.909   46.402 -29.73891 61.21264 
1 1 1    1    9   40 o   82.762   39.889  -7.3691   2.9504 -10.4638   3.4698   0.7100   5.6062  ?   ?    82.762   39.889      ?      ? 
1 1 1    1   10    1 o  992.699   21.381  281.500   12.104  279.939   17.120  283.060   17.116  989.942   30.325  995.456   30.151 -5.514893 42.76298 
1 1 1    1   10    3 o  2179.80   17.556  1356.53   21.823  1367.76   30.869  1345.31   30.856  2188.83   24.730  2170.77   24.925 18.05908 35.11145 
1 1 1    1   10    5 o  923.133   21.341  243.452   11.235  245.309   15.902  241.601   15.875  926.653   30.091  919.613   30.269 7.039978 42.68140 
1 1 1    1   10    9 o  1393.56   15.850  554.644   12.596  555.696   17.821  553.594   17.807  1394.88   22.402  1392.24   22.428 2.643555 31.69964 
1 1 1    1   10   11 o  303.213   15.464   26.282   2.6731   27.147   3.7870   25.423   3.7738  308.198   21.547  298.228   22.189 9.969879 30.92886 
1 1 1    1   10   13 o  743.119   13.815  157.940   5.7358  157.823   9.0694  158.019   7.4049  742.671   21.413  743.566   17.462 -0.8949585 27.63099 
1 1 1    1   10   15 o  861.306   13.866  212.336   6.8096  217.637   9.6517  207.082   9.6088  872.043   19.408  850.569   19.809 21.47449 27.73198 
1 1 1    1   10   17 o  301.017   16.185   26.823   2.2849   27.517   2.5983   24.455   4.7993  310.328   14.682  291.706   28.850 18.62302 32.37079 
1 1 1    1   10   19 o  357.035   9.9807   36.477   2.0241   40.451   2.8748   32.571   2.8504  376.382   13.393  337.688   14.801 38.69470 19.96144 
1 1 1    1   10   21 o  569.804   12.077   92.819   3.9215   95.518   5.4994   90.026   5.5936  578.264   16.676  561.343   17.473 16.92041 24.15372 
1 1 1    1   10   23 o  398.106   14.463   44.809   3.2643   40.490   4.3419   50.425   4.9507  376.301   20.233  419.910   20.674 -43.60922 28.92679 
1 1 1    1   10   25 o  613.960   20.041  108.457   6.9930  119.665   9.9480   97.510   9.8321  645.570   27.021  582.349   29.605 63.22101 40.08247 
1 1 1    1   10   27 o  221.720   30.000   14.812   3.6540   15.689   5.2443   13.984   5.0939  228.393   41.804  215.047   43.038 13.34651 59.99912 
1 1 1    1   10   29 o  194.786   35.258   11.429   3.5064   12.199   7.2435   11.193   4.0072  197.522   59.445  192.051   37.933 5.470703 70.51632 
1 1 1    1   10   31 o   98.624   32.532  -6.0091   4.6801 -11.5878   7.0019  -1.5041   6.2922   87.510   42.727  109.739   49.067 -22.22855 65.06302 
1 1 1    1   10   33 f   98.496   31.085  -0.9795   3.6060  -2.8677   5.2235   0.7397   4.9843   91.758   42.424  105.233   45.447 -13.47458 62.17097 
1 1 1    1   10   35 o  123.691   35.191   4.4299   3.9027   6.0651   5.0445   1.9917   6.1597  133.059   49.599  114.324   49.935 18.73437 70.38198 
1 1 1    1   10   37 o  109.998   31.384   3.8614   3.1672   6.4738   4.5166   1.3339   4.4425  126.030   46.941   93.965   41.669 32.06488 62.76804 
1 1 1    1   10   39 f   81.281   26.918   0.2077   3.1734  -1.5895   4.6767   1.7413   4.3202   76.232   36.664   86.329   39.421 -10.09683 53.83523 
1 1 1    1   11    0 o  1052.57   15.245  316.458   12.929  316.458   12.929  316.458   12.929  1052.57   21.560  1052.57   21.560 0.000000 0.000000 
1 1 1    1   11    2 o  1158.87   21.771  383.711   14.387  378.207   20.341  389.223   20.353  1150.53   31.001  1167.20   30.576 -16.66748 43.54254 
1 1 1    1   11    4 o  792.264   21.158  179.354   9.5583  182.962   13.521  175.750   13.514  800.245   29.628  784.283   30.214 15.96106 42.31648 
1 1 1    1   11    8 o  460.349   14.989   60.611   3.9260   55.805   5.5495   65.426   5.5548  442.026   22.015  478.672   20.349 -36.64648 29.97884 
1 1 1    1   11   10 o  707.548   15.021  143.072   6.0609  143.294   8.5801  142.849   8.5627  708.098   21.247  706.998   21.237 1.099854 30.04121 
1 1 1    1   11   12 o  223.913   7.2192   14.887   0.8831   11.719   1.3676   17.153   1.1565  202.621   11.835  245.205   8.2704 -42.58327 14.43839 
1 1 1    1   11   14 o  356.440   14.132   37.101   2.3742   37.696   2.6975   35.057   5.0014  363.297   13.020  349.584   25.087 13.71249 28.26412 
1 1 1    1   11   16 o  546.555   10.380   85.015   3.2283   78.128   4.4176   92.909   4.7293  522.883   14.815  570.226   14.543 -47.34247 20.75990 
1 1 1    1   11   18 o  635.285   13.692  115.848   4.4282  114.517   8.4207  116.357   5.2062  632.307   23.352  638.262   14.303 -5.955261 27.38429 
1 1 1    1   11   20 f  602.029   11.106  102.571   3.7861   96.045   5.0087  111.271   5.7831  579.925   15.145  624.133   16.248 -44.20752 22.21152 
1 1 1    1   11   22 o  1025.18   11.748  300.191   6.8669  290.741   9.6564  309.858   9.7671  1008.84   16.784  1041.52   16.444 -32.67822 23.49695 
1 1 1    1   11   24 o  310.607   25.203   27.896   4.4489   26.372   6.4465   29.282   6.1475  302.313   37.391  318.900   33.803 -16.58612 50.40582 
1 1 1    1   11   26 o  321.399   18.789   29.591   3.3979   28.922   4.4343   30.544   5.2885  317.233   24.511  325.565   28.484 -8.331879 37.57804 
1 1 1    1   11   28 o  235.792   33.899   16.950   4.3760   15.805   5.8109   18.449   6.6512  226.919   46.467  244.666   49.371 -17.74651 67.79896 
1 1 1    1   11   30 o  207.121   28.025   11.951   3.1559   18.847   5.3388   8.2474   3.9127  251.647   37.201  162.596   41.926 89.05162 56.05095 
1 1 1    1   11   32 o  129.535   38.182   2.5675   4.8331  -0.8031   7.1601   5.3887   6.5506  116.950   52.313  142.120   55.632 -25.17048 76.36488 
1 1 1    1   11   34 o   95.207   28.510   0.7908   2.8473   2.9679   3.4673  -3.7178   4.9896  105.695   40.722   84.719   39.913 20.97549 57.02053 
1 1 1    1   11   36 o   87.936   28.760  -1.4279   3.4765   0.8824   4.2356  -6.1970   6.0856   92.763   40.933   83.109   40.412 9.654572 57.52081 
1 1 1    1   11   38 o   94.953   30.810   0.3590   3.8154  -4.0725   4.9440   6.8845   5.9995   73.878   36.034  116.029   49.986 -42.15162 61.62004 
1 1 1    1   12    1 o  310.846   12.060   25.994   1.8262   24.663   2.0712   30.642   3.8710  294.044   12.351  327.647   20.717 -33.60333 24.11902 
1 1 1    1   12    7 o  907.954   18.528  235.097   9.0506  237.380   15.690  233.959   11.080  910.869   30.205  905.040   21.467 5.829590 37.05635 
1 1 1    1   12    9 o  977.677   18.563  274.966   9.5771  269.724   17.097  277.363   11.561  970.177   30.900  985.177   20.578 -15.00031 37.12524 
1 1 1    1   12   11 f  276.033   15.674   21.805   2.4671   21.822   3.4631   21.788   3.5155  276.148   21.990  275.919   22.341 0.2290649 31.34812 
1 1 1    1   12   13 o  512.602   12.843   75.912   2.9827   76.410   3.3333   73.914   6.6807  517.346   11.298  507.857   23.067 9.489197 25.68505 
1 1 1    1   12   15 o  1165.22   14.653  386.637   9.5372  399.339   15.208  378.403   12.244  1180.44   22.591  1150.00   18.670 30.44226 29.30686 
1 1 1    1   12   17 o  173.275   28.502   9.0869   2.8041   6.5044   3.9775   11.639   3.9537  148.644   43.892  197.906   36.372 -49.26146 57.00351 
1 1 1    1   12   19 o  587.935   9.6067   98.610   3.1839   99.213   4.8950   98.168   4.1918  589.435   14.562  586.435   12.534 3.000183 19.21339 
1 1 1    1   12   21 o  233.991   17.478   15.392   2.2244   14.778   2.7340   16.595   3.8260  227.334   21.088  240.648   27.878 -13.31390 34.95568 
1 1 1    1   12   23 o  282.221   31.136   24.105   4.7295   28.880   6.4328   18.487   6.9774  316.682   35.619  247.759   51.079 68.92259 62.27209 
1 1 1    1   12   25 o  375.705   18.912   42.070   3.7246   36.629   6.5023   44.726   4.5439  356.294   32.001  395.115   20.166 -38.82056 37.82480 
1 1 1    1   12   27 f  371.622   16.435   39.537   3.4740   43.328   5.1217   36.306   4.7279  388.053   23.144  355.190   23.341 32.86249 32.86982 
1 1 1    1   12   29 o  107.917   31.094   1.6053   3.0168   1.0374   4.4636   2.0828   4.0931  106.280   44.314  109.554   43.631 -3.274307 62.18859 
1 1 1    1   12   31 o  186.968   32.802   11.926   3.4863   13.836   4.3714   8.5867   5.7791  210.815   37.746  163.120   53.658 47.69489 65.60475 
1 1 1    1   12   33 o  203.076   40.202   15.234   4.8098   14.593   7.6091   15.661   6.2072  195.717   61.311  210.435   52.019 -14.71747 80.40485 
1 1 1    1   12   35 o   82.300   26.136  -1.6626   2.6289  -4.4184   3.4540   2.1317   4.0530   64.086   30.991  100.514   42.095 -36.42885 52.27300 
1 1 1    1   12   37 o   82.481   27.342  -1.4939   3.3253  -4.3340   4.9499   0.8421   4.4891   75.370   36.602   89.592   40.629 -14.22283 54.68415 
1 1 1    1   12   39 o   90.306   31.108   1.7236   5.1289   5.1849   7.5137  -1.2962   7.0183   97.306   46.714   83.307   41.093 13.99930 62.21583 
1 1 1    1   13    0 o  799.352   21.301  183.209   13.688  183.209   13.688  183.209   13.688  799.352   30.124  799.352   30.124 0.000000 0.000000 
1 1 1    1   13    4 o  318.847   21.710   29.091   3.9447   30.469   5.5946   27.728   5.5628  326.379   30.058  311.314   31.333 15.06509 43.41903 
1 1 1    1   13    6 o  1040.13   18.778  309.593   10.500  308.825   18.176  309.978   12.863  1038.65   30.686  1041.61   21.654 -2.967651 37.55693 
1 1 1    1   13    8 o  580.497   13.118   96.209   4.1362   96.481   7.0192   96.064   5.1195  580.957   21.186  580.038   15.477 0.9184570 26.23693 
1 1 1    1   13   10 o  527.105   15.090   79.517   4.5338   82.551   6.4245   76.507   6.3990  537.156   20.972  517.055   21.701 20.10052 30.17910 
1 1 1    1   13   12 o  216.105   14.556   10.742   1.3700   9.5505   1.4804   17.841   3.6142  182.838   14.198  249.373   25.414 -66.53456 29.11127 
1 1 1    1   13   14 o  315.390   9.6833   29.403   1.6368   25.327   2.7336   31.681   2.0437  297.645   16.104  333.135   10.758 -35.48950 19.36662 
1 1 1    1   13   16 o  486.903   14.319   69.469   3.5161   64.319   6.6702   71.451   4.1377  473.684   24.692  500.122   14.507 -26.43851 28.63844 
1 1 1    1   13   18 o  1152.47   13.071  379.653   8.5909  377.731   12.159  381.570   12.140  1149.55   18.547  1155.39   18.424 -5.845337 26.14291 
1 1 1    1   13   20 o  725.729   10.792  149.602   4.4165  155.573   6.8317  145.314   5.7889  738.035   16.232  713.423   14.228 24.61194 21.58492 
1 1 1    1   13   22 o  865.164   25.451  215.396   12.533  216.489   18.317  214.433   17.186  866.985   37.047  863.342   34.907 3.643799 50.90107 
1 1 1    1   13   24 o  213.030   26.907   12.641   2.9880   15.446   5.4430   11.431   3.5747  226.868   43.655  199.191   31.469 27.67653 53.81474 
1 1 1    1   13   26 o  192.136   29.762   12.061   3.3711   4.7020   5.1554   17.557   4.4557  137.981   50.367  246.290   31.723 -108.3096 59.52417 
1 1 1    1   13   28 o  157.173   37.387   7.1465   3.9765   6.2155   5.5973   8.0952   5.6503  149.977   52.754  164.370   52.991 -14.39238 74.77345 
1 1 1    1   13   30 o  178.150   39.725   10.330   4.5132   9.8633   6.5615   10.750   6.2176  174.925   57.158  181.376   55.184 -6.451279 79.44980 
1 1 1    1   13   32 o  122.389   33.453   3.1990   3.2770   1.2305   4.0996   6.6828   5.4538  100.210   42.171  144.569   51.942 -44.35936 66.90559 
1 1 1    1   13   34 o  102.967   34.123  -3.0604   5.1036  -0.2141   6.4362  -7.8817   8.3766  107.032   48.580   98.902   47.933 8.130226 68.24655 
1 1 1    1   13   36 o  106.987   30.756   3.8347   2.9020   4.6885   3.3030   0.9455   6.0761  112.992   40.441  100.983   46.349 12.00879 61.51220 
1 1 1    1   13   38 o   86.479   30.055  -2.1593   5.1184  -1.0520   7.5808  -3.0870   6.9387   89.392   43.817   83.566   41.151 5.826439 60.11094 
1 1 1    1   14    3 o  545.169   18.127   84.159   5.3400   87.542   9.2406   82.463   6.5432  553.083   29.297  537.254   21.356 15.82898 36.25427 
1 1 1    1   14    5 o  678.013   13.498  130.632   5.0778  128.405   6.4461  134.273   8.2429  670.576   16.856  685.450   21.087 -14.87378 26.99589 
1 1 1    1   14    7 o  279.875   12.696   23.539   1.6726   20.328   3.4459   24.529   1.9130  266.572   22.667  293.178   11.442 -26.60562 25.39145 
1 1 1    1   14    9 o  597.079   15.078  102.027   5.1337  103.467   7.2621  100.589   7.2581  601.304   21.178  592.853   21.467 8.451416 30.15525 
1 1 1    1   14   11 o  465.836   12.767   61.517   2.6565   61.183   2.9467   62.966   6.1387  462.939   11.161  468.732   22.965 -5.793457 25.53329 
1 1 1    1   14   13 o  298.572   9.7326   25.296   1.6455   21.373   2.2373   29.918   2.4286  273.503   14.344  323.641   13.159 -50.13776 19.46517 
1 1 1    1   14   15 o  462.455   14.430   62.552   3.3564   64.151   3.9406   58.327   6.4061  473.872   14.582  451.039   24.905 22.83316 28.85987 
1 1 1    1   14   17 o  199.487   19.521   12.196   1.9711   9.8928   3.3848   13.378   2.4247  182.673   33.734  216.300   19.656 -33.62729 39.04296 
1 1 1    1   14   19 o  210.309   20.897   13.641   2.2623   15.641   2.8695   10.356   3.6774  233.864   21.516  186.754   35.832 47.10994 41.79494 
1 1 1    1   14   21 o  580.124   21.319   97.942   6.6704  100.998   8.2674   92.241   11.291  593.908   24.409  566.340   34.959 27.56836 42.63700 
1 1 1    1   14   23 o  419.987   18.911   49.511   3.5983   52.526   8.2266   48.798   4.0013  426.862   33.794  413.112   16.984 13.75000 37.82186 
1 1 1    1   14   25 o  357.341   13.757   36.620   2.7770   36.722   3.6858   36.486   4.2235  358.049   18.051  356.632   20.766 1.417175 27.51479 
1 1 1    1   14   27 o  288.284   21.678   23.419   3.4113   21.747   4.1887   26.713   5.8788  274.125   26.794  302.442   34.085 -28.31696 43.35508 
1 1 1    1   14   29 o  165.697   34.946   8.4707   3.5285   10.205   5.4461   7.2163   4.6322  178.649   50.958  152.746   47.835 25.90367 69.89190 
1 1 1    1   14   31 o  134.181   35.780   5.1205   3.5294   5.6462   4.1036   3.6264   6.9181  134.472   45.244  133.890   55.442 0.5817566 71.55983 
1 1 1    1   14   33 o  156.936   33.226   8.5414   3.5680   3.6290   5.1144   13.199   4.9801  119.105   48.304  194.767   45.634 -75.66197 66.45136 
1 1 1    1   14   35 o  122.504   32.475   3.3565   4.3700   11.098   5.2242 -14.6823   7.9747  163.978   50.709   81.030   40.584 82.94814 64.95005 
1 1 1    1   14   37 f  110.917   36.556   5.1639   5.7443   0.4956   7.9916   10.154   8.2626   97.826   47.268  124.007   55.778 -26.18098 73.11194 
1 1 1    1   15    0 o  181.054   5.6305   9.4028   0.8185   9.4028   0.8185   9.4028   0.8185  181.054   7.9627  181.054   7.9627 0.000000 0.000000 
1 1 1    1   15    2 o  579.034   18.267   95.486   5.7041   97.379   9.8637   94.534   6.9917  582.991   29.668  575.078   21.319 7.913818 36.53317 
1 1 1    1   15    4 o  476.180   12.785   65.592   3.1454   62.860   5.7926   66.735   3.7457  468.856   21.664  483.505   13.584 -14.64874 25.57084 
1 1 1    1   15    6 f  475.533   15.060   64.690   4.0827   62.380   5.7482   67.041   5.7999  466.947   21.586  484.120   21.008 -17.17389 30.12088 
1 1 1    1   15    8 o  549.586   15.510   86.465   4.8602   87.420   6.9512   85.551   6.7980  552.542   22.060  546.629   21.807 5.913330 31.01901 
1 1 1    1   15   10 o  1203.30   20.996  421.098   13.022  405.344   24.078  427.612   15.482  1184.95   35.631  1221.65   22.222 -36.70251 41.99252 
1 1 1    1   15   12 o  574.503   16.170   94.614   5.2969   93.076   7.5091   96.137   7.4729  569.825   23.108  579.180   22.625 -9.355347 32.33932 
1 1 1    1   15   14 o  148.280   25.232   5.6721   2.0174   3.9570   2.4067   9.7246   3.6996  116.214   34.093  180.347   37.206 -64.13309 50.46378 
1 1 1    1   15   16 o  612.163   11.907  107.076   4.1560  104.029   5.8526  110.176   5.9027  603.364   17.009  620.962   16.668 -17.59814 23.81464 
1 1 1    1   15   18 o  125.163   28.552   4.3576   2.3268   3.7792   3.2375   4.9756   3.3463  118.791   40.185  131.536   40.570 -12.74512 57.10305 
1 1 1    1   15   20 o  851.669   24.254  206.304   11.717  232.028   17.691  186.199   15.640  898.427   34.528  804.911   34.071 93.51624 48.50801 
1 1 1    1   15   22 f  142.478   27.486   6.3979   2.2448   4.1500   4.1686   7.3159   2.6640  128.125   45.477  156.831   30.885 -28.70670 54.97279 
1 1 1    1   15   24 o  245.218   18.881   18.047   2.5207   20.830   3.2920   14.103   3.9190  269.457   21.423  220.979   31.098 48.47815 37.76270 
1 1 1    1   15   26 o  352.396   20.450   35.239   3.7176   37.763   7.0418   34.263   4.3773  359.810   34.318  344.982   22.249 14.82855 40.89912 
1 1 1    1   15   28 o  104.214   32.283  -0.6974   3.6813  -1.7101   5.2327   0.2950   5.1800   99.747   44.662  108.681   46.627 -8.934669 64.56589 
1 1 1    1   15   30 o   85.467   27.955  -2.8664   2.7304  -3.7754   3.1590  -0.1816   5.4289   64.760   30.871  106.175   46.614 -41.41435 55.90999 
1 1 1    1   15   32 o  152.572   41.141   7.7483   5.0210   10.165   7.3039   5.5832   6.9137  165.996   60.047  139.147   56.256 26.84888 82.28282 
1 1 1    1   15   34 o  114.358   34.817   2.7574   4.2949  -1.0923   6.7566   5.3677   5.5635  103.035   47.852  125.681   50.587 -22.64594 69.63327 
1 1 1    1   15   36 o   89.933   30.584  -2.7451   4.3746  -5.7719   5.5705   2.1249   7.0660   76.116   37.360  103.749   48.433 -27.63294 61.16845 
1 1 1    1   15   38 o   80.576   27.596  -0.8362   3.9978  -4.7053   5.8721   2.5067   5.4582   72.789   36.198   88.363   41.665 -15.57352 55.19265 
1 1 1    1   16    1 f  321.819   16.811   31.061   1.5859   28.028   5.7840   31.308   1.6491  312.369   32.469  331.269   8.7293 -18.90057 33.62164 
1 1 1    1   16    3 f  411.742   18.714   48.789   4.1385   48.012   7.1499   49.181   5.0751  408.898   30.662  414.587   21.465 -5.688324 37.42831 
1 1 1    1   16    5 o  490.145   9.7288   69.282   2.6506   65.452   4.1880   71.841   3.4234  478.642   15.343  501.648   11.967 -23.00620 19.45758 
1 1 1    1   16    7 o  187.753   16.965   8.6441   1.6112   13.515   3.3640   7.1942   1.8354  216.969   27.187  158.537   20.300 58.43144 33.93015 
1 1 1    1   16    9 o  148.508   27.159   6.6046   2.3288   5.6632   3.2621   7.5829   3.3255  138.167   39.448  158.850   37.340 -20.68224 54.31751 
1 1 1    1   16   11 o  459.702   16.760   60.606   4.3920   62.415   6.2013   58.786   6.2213  466.625   23.303  452.778   24.094 13.84784 33.51941 
1 1 1    1   16   13 o  963.602   15.434  266.248   8.4579  259.941   12.344  271.830   11.612  952.664   22.720  974.540   20.894 -21.87604 30.86700 
1 1 1    1   16   15 o  880.292   15.218  221.975   7.5859  223.928   10.167  219.522   11.394  884.852   20.148  875.732   22.814 9.119934 30.43680 
1 1 1    1   16   17 o  304.522   17.657   26.130   2.6465   27.376   5.3773   25.732   3.0402  308.941   30.521  300.102   17.764 8.838898 35.31381 
1 1 1    1   16   19 f  534.862   28.202   82.301   8.4666   83.239   13.228   81.650   11.020  536.951   43.197  532.773   36.269 4.178955 56.40409 
1 1 1    1   16   21 o  163.476   28.713   8.8000   2.7246   3.9708   4.9939   10.847   3.2510  132.636   49.368  194.316   29.337 -61.67984 57.42699 
1 1 1    1   16   23 o  709.837   13.861  141.787   5.5029  157.237   8.8557  132.068   7.0235  740.525   20.969  679.149   18.134 61.37677 27.72298 
1 1 1    1   16   25 o  332.510   25.176   32.598   4.7149   27.737   6.8176   37.055   6.5276  307.783   38.842  357.238   32.041 -49.45486 50.35160 
1 1 1    1   16   27 o  241.113   30.320   18.329   3.7194   15.891   6.5636   19.482   4.5142  224.036   52.320  258.191   30.658 -34.15575 60.64093 
1 1 1    1   16   29 f  194.873   32.727   12.254   4.2773   2.4679   6.1826   21.238   5.9237  125.887   52.293  263.858   39.367 -137.9704 65.45464 
1 1 1    1   16   31 o  132.832   33.482   5.6274   3.2698   3.1098   5.6005   6.9294   4.0275  121.347   50.034  144.316   44.507 -22.96903 66.96445 
1 1 1    1   16   33 o  104.580   31.636   0.7139   3.7468  -5.5162   5.9058   4.9107   4.8472   85.808   41.252  123.351   47.974 -37.54295 63.27118 
1 1 1    1   16   35 o  112.059   35.741   3.4733   4.9075   5.7932   6.8313   0.9993   7.0545  120.297   52.565  103.820   48.442 16.47713 71.48203 
1 1 1    1   16   37 o  106.868   30.627   5.2652   3.5078   9.3854   4.4371  -1.6009   5.7280  132.706   46.939   81.031   39.356 51.67490 61.25454 
1 1 1    1   17    0 o  465.370   21.388   62.772   7.9496   62.772   7.9496   62.772   7.9496  465.370   30.247  465.370   30.247 -0.000000 0.000000 
1 1 1    1   17    2 o  850.755   17.140  205.422   6.9567  211.170   14.716  203.768   7.8945  857.159   30.105  844.352   16.395 12.80719 34.28004 
1 1 1    1   17    4 o  1270.58   19.558  470.948   13.275  442.011   22.877  485.638   16.299  1239.03   32.376  1302.14   21.949 -63.10156 39.11531 
1 1 1    1   17    6 o  477.448   13.455   65.769   3.1431   64.178   6.3308   66.290   3.6209  473.145   23.462  481.751   13.179 -8.605286 26.91048 
1 1 1    1   17    8 o  432.237   16.844   53.581   4.1516   52.740   5.8805   54.415   5.8621  428.836   24.045  435.638   23.596 -6.802338 33.68877 
1 1 1    1   17   10 f  125.094   25.723   4.3886   1.8037   4.1085   2.1278   5.1036   3.3998  117.442   31.229  132.746   40.884 -15.30347 51.44650 
1 1 1    1   17   12 o  314.331   19.564   28.356   3.5065   27.767   4.9535   28.948   4.9643  311.042   27.925  317.620   27.407 -6.578644 39.12734 
1 1 1    1   17   14 f  420.965   15.024   52.019   3.1136   48.061   6.1252   53.398   3.6156  409.525   26.227  432.405   14.662 -22.88055 30.04722 
1 1 1    1   17   16 o  806.716   13.888  186.099   6.3852  178.482   9.0303  193.714   9.0297  790.161   20.040  823.269   19.233 -33.10803 27.77568 
1 1 1    1   17   20 o  454.399   14.772   58.678   3.4446   60.041   6.5212   58.151   4.0568  457.677   24.985  451.121   15.769 6.555267 29.54482 
1 1 1    1   17   22 o  406.244   18.829   47.664   4.3326   45.417   6.4228   49.540   5.8691  397.192   28.355  415.296   24.781 -18.10394 37.65794 
1 1 1    1   17   24 o  302.961   26.372   26.810   4.5048   32.163   6.4985   21.858   6.2504  332.652   34.256  273.270   40.107 59.38177 52.74481 
1 1 1    1   17   26 o  463.459   20.514   62.585   5.4109   60.170   7.8029   64.822   7.5097  454.481   30.106  472.437   27.873 -17.95557 41.02756 
1 1 1    1   17   28 o  158.559   38.781   7.6169   4.3273   5.7214   6.0856   9.5556   6.1546  145.046   54.397  172.072   55.288 -27.02571 77.56118 
1 1 1    1   17   30 o  110.216   32.251   0.4968   3.3993  -2.6038   4.3142   5.5738   5.5204   83.297   38.527  137.135   51.732 -53.83727 64.50232 
1 1 1    1   17   32 o  115.822   35.159   2.5611   4.0573   2.6770   5.0653   2.3536   6.7770  112.063   47.002  119.582   52.301 -7.518982 70.31798 
1 1 1    1   17   34 o   97.091   32.111  -0.8365   4.3617  -0.2242   6.7570  -1.2738   5.7109  101.605   47.409   92.578   43.324 9.027664 64.22272 
1 1 1    1   17   36 o  104.021   34.874   4.2185   5.5445   4.6561   7.9813   3.8104   7.7080  105.196   49.836  102.847   48.796 2.349464 69.74771 
1 1 1    1   18    1 o  346.999   18.867   34.375   3.5836   35.279   6.0092   33.876   4.4644  350.193   30.089  343.805   22.770 6.388245 37.73368 
1 1 1    1   18    3 o  1062.72   19.154  325.479   10.964  320.991   18.841  327.778   13.482  1055.87   31.289  1069.56   22.104 -13.69116 38.30872 
1 1 1    1   18    5 o  512.126   16.296   75.178   4.7591   76.565   6.7548   73.811   6.7063  516.831   22.918  507.421   23.175 9.410675 32.59293 
1 1 1    1   18    7 o  303.564   14.542   24.964   2.0519   24.005   2.2893   28.885   4.6272  289.871   13.849  317.258   25.575 -27.38635 29.08366 
1 1 1    1   18    9 o   81.074   24.886  -0.5748   2.1563   0.2977   3.0489  -1.4481   3.0501   86.596   36.401   75.551   33.944 11.04505 49.77172 
1 1 1    1   18   11 o  254.050   21.700   18.542   3.1410   17.477   4.4063   19.643   4.4787  246.591   31.333  261.510   30.031 -14.91966 43.40068 
1 1 1    1   18   13 o  299.719   16.947   26.127   2.4769   26.520   2.8543   24.929   4.9836  304.676   16.428  294.762   29.647 9.913330 33.89396 
1 1 1    1   18   15 o  546.466   17.331   85.475   5.4009   85.398   7.6589   85.550   7.6174  546.218   24.587  546.715   24.432 -0.4978638 34.66161 
1 1 1    1   18   19 o  929.249   16.109  248.117   8.4796  239.325   12.619  255.356   11.450  913.931   24.211  944.567   21.256 -30.63599 32.21770 
1 1 1    1   18   21 o  208.085   28.853   13.048   3.2872   14.040   4.2875   11.634   5.1200  220.421   34.108  195.748   46.546 24.67319 57.70523 
1 1 1    1   18   23 o  513.253   15.723   74.225   4.3658   80.288   7.5983   71.237   5.3342  528.034   25.233  498.471   18.765 29.56335 31.44511 
1 1 1    1   18   25 o   91.226   28.941  -2.2914   3.2631   0.6358   3.9481  -8.6011   5.7965   98.794   41.470   83.658   40.381 15.13669 57.88272 
1 1 1    1   18   27 o  211.185   36.930   14.621   4.4547   12.272   6.4613   16.750   6.1501  193.473   55.606  228.897   48.615 -35.42397 73.86098 
1 1 1    1   18   29 o  127.217   34.330   0.6588   3.5918  -3.4198   4.2681   10.559   6.6495   79.935   37.422  174.498   57.565 -94.56299 68.65952 
1 1 1    1   18   31 o  134.622   30.825   6.1560   2.6892   5.7989   4.2198   6.4002   3.4896  131.702   45.834  137.543   41.229 -5.841782 61.64922 
1 1 1    1   18   33 o  127.325   60.296   2.7551   11.660   2.7551   11.660   0.0000   0.0000  127.325   60.296  ?   ?       ?      ? 
1 1 1    1   18   35 o  100.022   32.661   1.9281   3.9633   6.3952   7.2182   0.0000   4.7421  114.559   51.774   85.485   39.830 29.07428 65.32167 
1 1 1    1   18   37 o   78.888   26.747   0.5124   3.3908  -0.4686   5.8670   1.0044   4.1550   79.593   38.915   78.183   36.704 1.409584 53.49334 
1 1 1    1   19    0 o  804.781   16.340  185.627   10.586  185.627   10.586  185.627   10.586  804.781   23.109  804.781   23.109 0.000000 0.000000 
1 1 1    1   19    2 f  703.185   17.553  139.344   6.1160  146.965   12.318  136.851   7.0459  714.689   30.222  691.681   17.862 23.00800 35.10560 
1 1 1    1   19    4 o  252.203   27.742   20.379   3.4847   14.358   5.9111   23.586   4.3141  217.765   48.806  286.640   26.391 -68.87488 55.48426 
1 1 1    1   19    6 o  730.427   14.347  150.676   5.8694  142.609   7.5311  163.156   9.3674  706.065   18.703  754.789   21.762 -48.72406 28.69499 
1 1 1    1   19    8 o  588.100   13.941   98.413   4.4781   97.115   5.5642  100.801   7.5449  582.896   16.738  593.305   22.299 -10.40845 27.88211 
1 1 1    1   19   10 o  192.048   23.154   11.623   2.1597   9.0499   4.0044   12.678   2.5647  173.604   41.086  210.492   21.365 -36.88734 46.30877 
1 1 1    1   19   12 o  696.167   16.328  138.717   6.4812  141.766   9.1572  135.656   9.1745  703.864   22.813  688.470   23.367 15.39386 32.65646 
1 1 1    1   19   14 o  112.487   31.833   2.0140   2.8283   0.7101   5.6380   2.4525   3.2695  118.387   49.618  106.587   39.891 11.80076 63.66542 
1 1 1    1   19   18 o  518.165   16.328   77.696   4.3982   74.934   8.0252   78.882   5.2583  511.033   27.537  525.298   17.553 -14.26498 32.65532 
1 1 1    1   19   20 o  348.930   24.545   35.470   4.8187   28.808   6.7982   42.196   6.8312  315.302   37.807  382.558   31.312 -67.25558 49.08974 
1 1 1    1   19   22 o  233.118   21.551   15.770   2.8453   16.260   3.8427   15.175   4.2332  237.357   28.388  228.879   32.432 8.478226 43.10135 
1 1 1    1   19   24 o  404.836   18.834   46.465   3.9999   49.984   7.3695   44.996   4.7624  414.336   31.188  395.335   21.123 19.00159 37.66848 
1 1 1    1   19   26 o  447.742   17.609   56.189   4.1979   64.575   7.6290   52.548   5.0275  469.339   28.503  426.145   20.687 43.19391 35.21871 
1 1 1    1   19   28 f  190.729   39.583   12.256   4.6543   9.1266   6.2446   16.167   6.9811  165.407   55.811  216.052   56.146 -50.64439 79.16627 
1 1 1    1   19   30 o  123.758   33.902   4.2195   3.5781   6.3917   4.6933   1.2046   5.5292  138.079   48.321  109.437   47.564 28.64204 67.80302 
1 1 1    1   19   32 o  107.597   33.660   0.8003   3.5930   5.9175   7.0252  -1.0124   4.1812  130.783   55.130   84.411   38.635 46.37212 67.31937 
1 1 1    1   19   34 o  116.993   37.170   3.9970   4.2705   1.3988   4.8277   13.345   9.1570   93.366   42.255  140.621   61.163 -47.25542 74.34009 
1 1 1    1   19   36 o   77.336   26.646  -1.7090   3.7924  -0.5700   5.4374  -2.7878   5.2921   80.295   38.843   74.376   36.488 5.919525 53.29300 
1 1 1    1   20    1 o  478.587   20.441   66.771   5.2023   63.091   9.0600   68.581   6.3542  467.914   33.952  489.260   22.774 -21.34598 40.88271 
1 1 1    1   20    3 o  605.819   17.857  103.564   4.9948  108.145   11.094  102.399   5.5938  613.094   31.731  598.544   16.388 14.55048 35.71305 
1 1 1    1   20    5 o  1230.09   19.969  433.575   13.435  437.306   22.474  431.500   16.760  1233.03   31.960  1227.15   23.949 5.882446 39.93722 
1 1 1    1   20    7 o  635.137   16.313  115.541   5.9047  120.963   8.3770  110.187   8.3242  650.003   22.599  620.271   23.533 29.73187 32.62629 
1 1 1    1   20    9 o  258.500   19.035   21.057   2.2575   15.942   4.6318   22.651   2.5854  235.423   34.499  281.578   16.100 -46.15569 38.07100 
1 1 1    1   20   11 o  401.499   18.710   46.232   4.2751   42.740   6.0357   49.748   6.0562  386.199   27.405  416.799   25.479 -30.59952 37.41929 
1 1 1    1   20   17 o  358.112   19.567   38.876   3.4801   32.481   6.5608   41.380   4.1053  335.853   34.254  380.371   18.925 -44.51819 39.13474 
1 1 1    1   20   19 o   95.674   30.704  -2.8822   3.6341  -2.7688   5.2230  -2.9886   5.0597   97.051   43.934   94.297   42.905 2.753700 61.40869 
1 1 1    1   20   21 o  209.453   31.409   12.811   3.3689   13.861   6.4055   12.410   3.9610  212.023   53.094  206.882   33.573 5.140961 62.81799 
1 1 1    1   20   23 o  393.029   22.397   45.060   5.0111   42.767   7.1659   47.254   7.0103  382.927   32.814  403.130   30.493 -20.20300 44.79484 
1 1 1    1   20   25 o  334.873   21.550   31.676   3.9293   28.929   4.7991   37.262   6.8434  314.849   26.728  354.897   33.813 -40.04788 43.10096 
1 1 1    1   20   27 o  115.144   34.459   1.6127   3.5866   1.4491   4.2356   2.0274   6.7423  104.050   43.258  126.238   53.651 -22.18741 68.91743 
1 1 1    1   20   29 o   80.786   26.643  -2.9971   2.9950  -1.8169   4.4718  -3.9571   4.0331   87.306   39.958   74.267   35.254 13.03920 53.28656 
1 1 1    1   20   31 o  130.462   36.096   5.6016   3.5698   5.0368   4.1592   7.1817   6.9566  121.828   45.111  139.096   56.362 -17.26733 72.19218 
1 1 1    1   20   33 o  106.071   35.557   0.4296   5.5931  -2.3055   7.2170   4.5427   8.8502   94.955   45.637  117.187   54.538 -22.23271 71.11376 
1 1 1    1   20   35 o  102.781   29.710   3.9202   3.1964   9.1687   4.4900  -1.4730   4.5514  130.121   47.079   75.440   36.254 54.68171 59.42024 
1 1 1    1   21    0 o   73.779   32.928   0.6767   4.1689   0.6767   4.1689   0.6767   4.1689   73.779   46.568   73.779   46.568 -0.000000 0.000000 
1 1 1    1   21    2 o  170.053   31.298   8.8997   2.9523   7.4349   5.2731   9.5684   3.5630  160.993   51.118  179.113   36.128 -18.12083 62.59599 
1 1 1    1   21    4 o  602.919   14.668  104.507   4.8613  105.953   6.1322  102.061   7.9750  608.836   17.661  597.003   23.424 11.83331 29.33627 
1 1 1    1   21    6 o  386.552   18.486   42.866   4.0710   41.044   5.7947   44.642   5.7206  378.380   26.854  394.725   25.413 -16.34576 36.97230 
1 1 1    1   21    8 o  858.261   13.341  209.863   6.5010  203.701   8.7373  217.505   9.7303  844.271   18.147  872.252   19.561 -27.98102 26.68229 
1 1 1    1   21   10 o  940.180   14.870  252.752   7.9726  254.732   11.297  250.787   11.253  943.855   20.987  936.505   21.070 7.349182 29.73928 
1 1 1    1   21   16 o  926.507   16.044  246.072   8.4352  243.775   12.537  247.971   11.402  922.339   23.834  930.674   21.483 -8.334412 32.08740 
1 1 1    1   21   18 o  350.154   24.278   35.469   4.8436   33.964   6.8797   36.949   6.8205  342.659   35.206  357.648   33.440 -14.98923 48.55590 
1 1 1    1   21   20 o  382.390   20.646   43.109   4.0704   40.106   7.4482   44.387   4.8605  371.615   35.145  393.165   21.678 -21.55048 41.29276 
1 1 1    1   21   22 o  278.536   37.265   32.933   3.5949   35.692   3.8288   12.407   10.445  352.455   19.049  204.616   72.054 147.8386 74.52906 
1 1 1    1   21   24 o  439.652   18.149   54.302   4.4163   48.693   5.5068   64.412   7.3930  409.652   23.572  469.652   27.603 -59.99915 36.29792 
1 1 1    1   21   26 o  285.088   30.950   25.171   5.0008   23.610   6.6428   27.212   7.5973  275.826   42.230  294.349   45.259 -18.52353 61.90089 
1 1 1    1   21   28 o  104.890   33.369  -0.7419   4.1586  -0.8348   6.2844  -0.6696   5.5467  107.459   48.460  102.321   45.887 5.138542 66.73807 
1 1 1    1   21   30 o  113.462   38.312  -2.5843   5.9398  -2.5605   12.304  -2.5916   6.7825  126.399   60.440  100.525   47.097 25.87397 76.62368 
1 1 1    1   21   32 o  105.683   34.575   0.9243   4.8985   4.2878   7.3538  -1.7585   6.5677  116.623   52.523   94.743   44.978 21.88049 69.14972 
1 1 1    1   21   34 o   78.791   25.889  -2.0981   3.3371   3.3692   3.9855 -14.9225   6.1040   94.905   40.813   62.677   31.863 32.22800 51.77760 
1 1 1    1   22    1 o  280.392   23.865   21.102   3.6398   27.766   6.4403   17.974   4.4120  310.578   36.361  250.206   30.920 60.37146 47.73064 
1 1 1    1   22    3 o  796.304   15.035  182.216   6.6105  177.997   10.729  184.798   8.3929  788.513   23.859  804.095   18.302 -15.58173 30.07052 
1 1 1    1   22    5 o  825.852   19.801  196.331   8.7778  193.026   15.178  197.992   10.759  819.862   32.463  831.842   22.681 -11.98016 39.60160 
1 1 1    1   22    7 o  627.573   11.833  112.443   4.2336  115.215   6.0759  109.828   5.9024  635.082   16.776  620.064   16.692 15.01825 23.66525 
1 1 1    1   22    9 o  728.486   17.600  145.277   5.6950  141.540   6.2771  162.673   13.542  704.004   15.635  752.968   31.537 -48.96326 35.19957 
1 1 1    1   22   13 o  414.550   20.341   49.338   4.8022   46.210   6.7747   52.497   6.8083  401.260   29.605  427.840   27.904 -26.57993 40.68275 
1 1 1    1   22   15 o  494.823   19.577   70.419   5.5107   64.727   7.7919   76.115   7.7946  474.645   28.786  515.002   26.539 -40.35660 39.15333 
1 1 1    1   22   17 o  1067.82   16.927  327.513   10.301  341.765   14.580  313.310   14.555  1091.17   23.430  1044.46   24.436 46.71411 33.85382 
1 1 1    1   22   19 f  766.430   16.650  170.043   7.1248  174.875   9.2589  163.028   11.156  780.571   20.799  752.288   26.004 28.28314 33.29942 
1 1 1    1   22   21 o  242.212   30.808   17.859   3.8357   18.160   4.6375   17.209   6.8242  249.587   32.582  234.838   52.298 14.74934 61.61677 
1 1 1    1   22   23 o  494.897   13.392   68.922   3.6077   76.255   6.2244   65.213   4.4271  513.534   21.254  476.261   16.300 37.27325 26.78430 
1 1 1    1   22   25 o  200.191   22.209   12.199   2.4404   14.468   3.4640   9.9630   3.4387  221.277   27.451  179.105   34.921 42.17226 44.41876 
1 1 1    1   22   27 o  108.229   29.319   2.9993   2.5864   0.9440   4.3416   4.1301   3.2202  100.140   42.817  116.318   40.064 -16.17809 58.63839 
1 1 1    1   22   29 o  115.176   36.304   0.6370   4.1631   5.9457   8.3891  -1.0975   4.7952  139.062   59.490   91.290   41.626 47.77230 72.60700 
1 1 1    1   22   31 o  109.698   36.410   0.5781   5.6554  -0.8804   7.3411   2.7073   8.8699  102.225   48.237  117.171   54.553 -14.94674 72.82066 
1 1 1    1   22   33 o   76.527   26.576  -4.6123   3.9820  -4.5795   5.3610  -4.6526   5.9472   74.883   36.734   78.171   38.416 -3.288071 53.15224 
1 1 1    1   22   35 o  104.125   29.703   6.0738   3.1481   1.2239   4.7247   9.9461   4.2218   79.582   37.887  128.668   45.756 -49.08578 59.40522 
1 1 1    1   23    0 o  651.019   16.311  121.512   8.5395  121.512   8.5395  121.512   8.5395  651.019   23.067  651.019   23.067 0.000000 0.000000 
1 1 1    1   23    2 o  362.154   18.353   36.094   2.8003   39.774   7.0931   35.415   3.0478  372.150   33.422  352.159   15.176 19.99115 36.70575 
1 1 1    1   23    4 f  1306.89   19.860  487.105   13.996  496.614   24.200  482.326   17.157  1315.39   32.261  1298.38   23.171 17.00403 39.71952 
1 1 1    1   23    6 o  1178.29   21.208  403.042   13.214  384.728   23.326  411.696   16.035  1157.05   35.351  1199.53   23.440 -42.47949 42.41609 
1 1 1    1   23    8 o  569.106   34.979   93.084   11.353   0.0000   0.0000   93.084   11.353  ?   ?   569.106   34.979      ?      ? 
1 1 1    1   23   12 o  655.933   17.470  123.288   6.5344  124.248   9.2141  122.316   9.2682  658.525   24.535  653.341   24.875 5.183838 34.93904 
1 1 1    1   23   14 o  189.253   32.475   10.476   3.9110   17.332   5.5227   3.5793   5.5393  244.675   39.579  133.830   51.497 110.8449 64.94963 
1 1 1    1   23   16 o  561.955   16.780   89.645   5.0766   93.883   8.8616   87.575   6.1937  571.091   27.209  552.820   19.646 18.27087 33.56048 
1 1 1    1   23   18 f  471.483   21.765   64.544   5.8254   57.789   8.2652   71.212   8.2117  446.499   32.459  496.466   29.004 -49.96777 43.52942 
1 1 1    1   23   20 o  655.550   15.893  121.664   5.2784  128.682   10.272  119.146   6.1528  666.612   27.022  644.489   16.740 22.12323 31.78678 
1 1 1    1   23   22 o  204.873   34.821   12.080   3.8169   9.5908   4.5856   17.692   6.8865  174.615   45.567  235.131   52.665 -60.51572 69.64144 
1 1 1    1   23   24 o  154.696   38.042   7.2246   4.2087   9.9270   6.0702   4.7229   5.8404  173.177   54.830  136.215   52.748 36.96175 76.08365 
1 1 1    1   23   26 o  150.829   38.163   7.4223   4.4134   3.4172   6.7252   10.452   5.8491  129.445   54.219  172.214   53.723 -42.76927 76.32687 
1 1 1    1   23   28 o  114.056   38.615  -6.0510   6.6248 -10.1070   8.2139   1.4983   11.206   93.854   45.921  134.257   62.096 -40.40247 77.23084 
1 1 1    1   23   30 o  169.414   36.588   14.328   4.9904   18.976   5.8269   1.5351   9.6667  220.951   47.645  117.877   55.540 103.0738 73.17595 
1 1 1    1   23   32 o   86.681   28.292  -0.6601   2.8926   5.1139   5.4515  -2.9227   3.4125  108.723   47.241   64.639   31.146 44.08411 56.58423 
1 1 1    1   23   34 o   73.526   25.627  -2.7744   3.8303  -1.3607   5.4729  -4.1317   5.3626   76.637   37.494   70.414   34.945 6.223251 51.25374 
1 1 1    1   24    1 o  638.296   20.262  116.574   6.9419  117.386   12.079  116.173   8.4829  639.397   33.125  637.195   23.344 2.202271 40.52454 
1 1 1    1   24    3 o  1044.09   19.526  311.616   10.843  314.428   19.212  310.302   13.135  1046.63   32.188  1041.56   22.114 5.077393 39.05260 
1 1 1    1   24    5 o  258.644   31.450   24.786   2.9185   26.754   3.1599   13.365   7.6122  305.986   18.108  211.302   60.236 94.68356 62.89942 
1 1 1    1   24    9 o  1058.19   33.085  321.940   19.966   0.0000   0.0000  321.940   19.966  ?   ?   1058.19   33.085      ?      ? 
1 1 1    1   24   11 o  162.885   31.028   8.0659   2.7853   8.4793   3.2929   7.0266   5.2216  168.429   35.406  157.340   50.964 11.08951 62.05552 
1 1 1    1   24   13 o  554.881   18.992   88.480   6.0094   89.318   8.4704   87.631   8.5269  557.560   26.639  552.202   27.077 5.358459 37.98437 
1 1 1    1   24   15 o  529.419   17.462   81.906   4.9472   84.630   6.0884   76.612   8.4874  543.382   19.647  515.457   28.873 27.92566 34.92361 
1 1 1    1   24   17 o  462.673   21.947   62.053   5.7879   60.131   8.2123   63.951   8.1587  455.410   31.620  469.936   30.443 -14.52563 43.89356 
1 1 1    1   24   19 o  201.362   33.449   13.435   3.7165   8.7320   6.6455   15.575   4.4832  171.915   57.577  230.809   34.060 -58.89384 66.89706 
1 1 1    1   24   21 o  159.833   39.181   6.9925   4.6624   2.4298   6.6571   11.385   6.5320  131.419   54.400  188.248   56.403 -56.82933 78.36239 
1 1 1    1   24   23 o  364.469   22.767   40.050   4.2437   38.975   7.9170   40.483   5.0269  357.083   38.877  371.854   23.705 -14.77109 45.53408 
1 1 1    1   24   25 o   88.005   28.179  -1.9726   3.1561  -5.0398   4.7134   0.5202   4.2492   78.851   37.622   97.159   41.961 -18.30763 56.35723 
1 1 1    1   24   27 o  180.014   53.110   14.302   9.3300   24.225   13.981   6.3360   12.527  209.161   81.440  150.868   68.192 58.29323 106.2202 
1 1 1    1   24   29 o  136.817   34.733   7.4669   3.4342   7.0469   4.6236   7.9838   5.1289  133.871   47.854  139.762   50.355 -5.891602 69.46663 
1 1 1    1   24   31 o  102.608   32.993   3.0596   4.1962   1.8596   5.6375   4.5506   6.2838   96.825   44.516  108.391   48.708 -11.56630 65.98627 
1 1 1    1   24   33 o   74.730   24.910  -0.9029   2.8286   2.9431   4.1122  -4.3566   3.8968   87.876   39.452   61.585   30.423 26.29143 49.82022 
1 1 1    1   25    0 o  1110.15   16.360  352.524   14.634  352.524   14.634  352.524   14.634  1110.15   23.137  1110.15   23.137 0.000000 0.000000 
1 1 1    1   25    2 o  1279.22   32.533  470.055   23.733   0.0000   0.0000  470.055   23.733  ?   ?   1279.22   32.533      ?      ? 
1 1 1    1   25    4 o  1097.52   33.062  346.174   20.693   0.0000   0.0000  346.174   20.693  ?   ?   1097.52   33.062      ?      ? 
1 1 1    1   25    8 o  714.122   16.693  146.101   6.7759  146.155   9.9980  146.056   9.2151  714.105   24.550  714.138   22.627 -0.3302002E-01 33.38691 
1 1 1    1   25   10 f  503.374   14.895   68.032   3.5458   80.846   7.8528   64.750   3.9740  530.721   25.946  476.027   14.639 54.69324 29.79047 
1 1 1    1   25   12 o  379.762   23.205   41.854   4.9843   48.089   7.0636   35.671   7.0342  408.419   30.327  351.104   35.130 57.31509 46.40982 
1 1 1    1   25   14 o  640.730   16.427  118.110   5.6636  118.415   6.9494  117.508   9.7733  642.779   18.958  638.681   26.833 4.097656 32.85430 
1 1 1    1   25   16 o   95.393   27.555  -0.9581   2.7983  -6.4012   4.1289   3.6657   3.8055   70.373   33.996  120.414   43.375 -50.04145 55.11034 
1 1 1    1   25   18 o  126.601   34.019   2.3571   3.0431   0.8784   3.4961   6.9799   6.1814   95.313   39.436  157.889   55.444 -62.57510 68.03829 
1 1 1    1   25   20 o  198.007   33.958   13.244   3.7937   15.372   4.5889   8.6484   6.7430  227.503   35.369  168.510   57.979 58.99263 67.91579 
1 1 1    1   25   22 o  112.405   30.708   0.6390   3.2710   6.6961   4.7760  -4.7122   4.4890  146.222   48.812   78.587   37.272 67.63522 61.41515 
1 1 1    1   25   24 o  117.015   32.092   3.4981   3.0792   2.6652   4.3826   4.3101   4.3272  111.294   44.862  122.737   45.901 -11.44254 64.18316 
1 1 1    1   25   26 o  164.805   50.851   10.903   8.9849   11.468   13.393   10.440   12.116  166.706   73.201  162.905   70.605 3.801514 101.7029 
1 1 1    1   25   28 o  114.215   36.760   1.0348   5.5941   6.0438   7.3438  -5.8895   8.6344  129.058   55.447   99.372   48.277 29.68565 73.51928 
1 1 1    1   25   30 o  114.038   34.905   5.0906   4.2339   1.9820   5.6807   8.9756   6.3505   98.288   45.003  129.788   53.368 -31.49964 69.81039 
1 1 1    1   25   32 o   69.822   24.546  -5.6861   3.8042  -8.9207   5.4052  -2.5115   5.3549   64.111   32.285   75.533   36.982 -11.42176 49.09181 
1 1 1    1   26    1 o  950.072   23.079  259.595   12.504  261.563   17.801  257.678   17.567  953.603   32.733  946.541   32.543 7.061584 46.15763 
1 1 1    1   26    5 o  487.798   38.597   68.755   10.737   0.0000   0.0000   68.755   10.737  ?   ?   487.798   38.597      ?      ? 
1 1 1    1   26    7 o  975.652   20.932  279.142   10.875  258.238   18.775  289.697   13.341  946.028   34.801  1005.28   23.271 -59.24841 41.86433 
1 1 1    1   26    9 o  481.882   16.665   63.697   4.2905   75.002   7.7879   58.770   5.1410  510.793   26.735  452.971   19.902 57.82202 33.32911 
1 1 1    1   26   11 o  429.045   18.223   52.401   4.0876   51.584   4.8706   54.348   7.5177  424.184   20.134  433.907   30.381 -9.723328 36.44661 
1 1 1    1   26   13 o  194.001   36.485   12.066   3.6474   12.970   4.0304   7.9764   8.5719  211.477   33.419  176.525   64.868 34.95135 72.97058 
1 1 1    1   26   15 o  439.117   18.882   55.674   4.2020   55.573   4.9225   55.945   8.0667  439.793   19.627  438.441   32.262 1.352112 37.76316 
1 1 1    1   26   17 o  377.593   23.999   41.999   5.1238   40.077   7.6533   43.560   6.8978  368.957   36.373  386.229   31.317 -17.27170 47.99723 
1 1 1    1   26   19 o  128.246   35.817   3.3372   3.6823   2.8993   4.4957   4.2299   6.4189  117.619   46.075  138.874   54.849 -21.25459 71.63348 
1 1 1    1   26   21 o  209.906   39.882   15.081   4.8761   14.938   6.8794   15.225   6.9125  208.892   56.420  210.920   56.383 -2.028687 79.76338 
1 1 1    1   26   23 o  205.306   29.317   13.461   3.3667   16.885   5.0521   10.726   4.5154  231.807   38.217  178.806   44.468 53.00085 58.63346 
1 1 1    1   26   27 o  116.199   33.922   2.7419   3.5548  -0.1997   4.3306   8.8180   6.2240   88.459   40.029  143.939   54.777 -55.48019 67.84422 
1 1 1    1   26   29 o  108.694   32.361   3.1774   3.3446   9.0505   5.7437   0.1642   4.1141  133.659   52.156   83.728   38.323 49.93102 64.72141 
1 1 1    1   26   31 o   77.899   26.043  -0.0433   3.0398  -2.7527   5.4986   1.1492   3.6479   76.293   37.380   79.505   36.273 -3.212227 52.08673 
1 1 1    1   27    2 o  471.501   18.507   63.613   4.9765   0.0000   0.0000   63.613   4.9765  ?   ?   471.501   18.507      ?      ? 
1 1 1    1   27    4 o  945.935   19.925  256.891   9.8517  258.458   17.991  256.220   11.774  946.381   33.335  945.490   21.835 0.8919067 39.85006 
1 1 1    1   27    6 o  863.208   17.348  216.965   8.2564  201.591   13.251  226.721   10.556  837.007   27.760  889.409   20.811 -52.40253 34.69521 
1 1 1    1   27    8 o  933.365   16.314  249.821   8.6378  253.395   12.937  246.947   11.603  939.065   24.156  927.664   21.933 11.40021 32.62806 
1 1 1    1   27   10 o  601.572   19.192  104.362   6.5748  111.245   9.3328   97.581   9.2639  621.462   26.333  581.682   27.926 39.78033 38.38387 
1 1 1    1   27   12 o  416.263   19.614   52.097   4.1029   54.651   4.8507   45.675   7.6917  436.330   19.494  396.195   34.043 40.13535 39.22879 
1 1 1    1   27   14 o  332.199   22.089   30.898   3.8568   35.304   7.1712   29.105   4.5747  347.058   36.232  317.339   25.278 29.71924 44.17883 
1 1 1    1   27   16 o  491.259   21.780   70.612   6.1014   71.524   8.6346   69.703   8.6227  494.502   30.618  488.017   30.982 6.484680 43.55906 
1 1 1    1   27   18 f  272.563   33.391   23.269   5.0791   22.566   7.2345   23.952   7.1324  265.841   49.542  279.285   44.781 -13.44388 66.78153 
1 1 1    1   27   20 o  113.774   31.031   2.8855   2.7154   2.2081   3.3212   4.2512   4.7157  101.231   39.616  126.317   47.774 -25.08673 62.06283 
1 1 1    1   27   22 o  157.631   35.772   6.6146   3.4681   14.325   6.6492   3.7329   4.0648  198.641   56.183  116.621   44.295 82.02061 71.54430 
1 1 1    1   27   26 o  207.711   28.068   15.836   3.1901   21.594   4.4193   9.5701   4.6098  259.413   29.872  156.009   47.528 103.4035 56.13581 
1 1 1    1   27   28 o   94.078   30.660   0.9843   3.7668   1.4351   4.7822   0.2474   6.1139   93.246   42.141   94.910   44.546 -1.663734 61.32082 
1 1 1    1   27   30 o   83.632   27.816   0.8807   3.3165   0.7056   4.1846   1.1764   5.4386   80.506   37.478   86.758   41.112 -6.252251 55.63131 
1 1 1    1   28    1 o  183.638   42.077   9.5580   5.1924   13.213   7.3902   5.9941   7.2971  207.765   59.394  159.511   59.616 48.25439 84.15316 
1 1 1    1   28    3 o  191.089   41.695   10.039   5.5251   2.8879   7.7950   17.258   7.8326  145.954   59.468  236.224   58.459 -90.26988 83.38964 
1 1 1    1   28    5 o  300.471   32.658   24.581   5.2393   37.503   8.9966   17.949   6.4449  357.871   44.082  243.071   48.196 114.8005 65.31504 
1 1 1    1   28    7 o  849.885   20.942  213.539   8.9261  198.116   17.058  219.355   10.475  825.543   36.233  874.227   21.010 -48.68481 41.88343 
1 1 1    1   28    9 o  330.453   20.260   30.298   3.0791   29.455   3.4320   33.779   6.9712  320.438   18.781  340.469   35.904 -20.03018 40.51912 
1 1 1    1   28   11 o  125.561   36.585   1.6941   4.2740   3.3267   6.0641   0.0827   6.0247  134.303   53.227  116.819   50.206 17.48444 73.16948 
1 1 1    1   28   13 o  488.520   18.629   70.924   4.6406   65.044   8.6065   73.334   5.5102  472.045   31.971  504.994   19.133 -32.94864 37.25853 
1 1 1    1   28   15 o  508.031   14.041   74.385   4.0578   72.984   5.5225   76.030   5.9821  503.024   19.251  513.038   20.446 -10.01346 28.08283 
1 1 1    1   28   17 o  345.643   22.986   34.559   4.2024   38.371   7.6605   32.918   5.0262  356.353   37.695  334.932   26.314 21.42096 45.97109 
1 1 1    1   28   19 o  161.424   38.252   7.8234   4.6736   1.4829   6.6796   13.905   6.5416  122.518   52.762  200.331   55.399 -77.81367 76.50413 
1 1 1    1   28   21 o  103.288   32.390   0.0526   3.5554  -0.2141   4.3026   0.6269   6.3133   93.221   41.189  113.355   50.000 -20.13490 64.78075 
1 1 1    1   28   25 o   92.018   30.036  -0.5830   3.3889  -0.7041   4.0396  -0.2955   6.2266   83.532   38.134  100.504   46.415 -16.97187 60.07126 
1 1 1    1   28   27 o   88.525   29.910  -1.8303   4.2567  -0.6185   5.9654  -3.0874   6.0758   91.569   43.293   85.481   41.281 6.087769 59.81975 
1 1 1    1   28   29 o   76.613   26.478  -2.8456   3.8453  -4.7779   5.4938  -0.9898   5.3840   72.585   35.907   80.641   38.923 -8.055618 52.95591 
1 1 1    1   29    0 o  1014.03   16.774  294.932   13.701  294.932   13.701  294.932   13.701  1014.03   23.721  1014.03   23.721 -0.000000 0.000000 
1 1 1    1   29    2 o  963.758   23.985  269.554   13.178  279.081   18.719  260.192   18.555  980.867   33.463  946.649   34.371 34.21802 47.97026 
1 1 1    1   29    4 o  495.236   21.880   65.948   5.0070   62.638   5.5643   80.030   11.478  467.020   20.892  523.452   38.450 -56.43198 43.75943 
1 1 1    1   29    6 o  368.465   26.898   42.086   3.4449   36.721   10.231   42.772   3.6586  350.596   51.169  386.333   16.606 -35.73651 53.79606 
1 1 1    1   29    8 o  270.980   39.307   24.445   5.5916   17.472   9.6666   27.952   6.8548  233.559   68.272  308.402   38.975 -74.84306 78.61349 
1 1 1    1   29   10 o  343.628   16.043   34.028   3.1422   32.535   4.3796   35.613   4.5107  335.833   22.867  351.423   22.507 -15.59015 32.08568 
1 1 1    1   29   12 o  206.043   29.492   13.525   3.3905   7.9455   4.9221   18.562   4.6769  160.628   49.147  251.458   32.614 -90.82945 58.98368 
1 1 1    1   29   14 f  265.477   29.361   22.139   3.8281   22.881   4.5403   20.314   7.1194  279.251   28.510  251.704   51.337 27.54684 58.72234 
1 1 1    1   29   16 o  255.364   22.139   19.493   3.2150   18.487   4.6363   20.425   4.4621  248.488   32.717  262.240   29.836 -13.75206 44.27875 
1 1 1    1   29   18 o  257.566   21.386   20.001   3.1314   18.199   4.4159   21.824   4.4413  245.269   31.571  269.863   28.858 -24.59402 42.77284 
1 1 1    1   29   20 o  180.051   48.019   12.924   6.7294   13.205   9.4840   12.639   9.5500  181.523   67.941  178.579   67.878 2.944275 96.03842 
1 1 1    1   29   24 o  232.151   32.869   21.239   3.8438   18.133   7.0569   22.550   4.5833  200.584   58.247  263.719   30.475 -63.13525 65.73766 
1 1 1    1   29   26 o   95.329   29.212   2.5216   2.9179  -1.2420   6.1452   3.6171   3.3154   90.337   43.062  100.322   39.484 -9.984909 58.42376 
1 1 1    1   29   28 o   80.093   26.522  -0.5663   3.3687  -8.7030   6.0297   3.1258   4.0617   68.889   34.612   91.298   40.196 -22.40869 53.04438 
1 1 1    1   30    1 o  417.583   24.002   52.350   4.2063   53.115   4.6171   48.617   10.202  430.073   18.825  405.092   44.160 24.98145 48.00462 
1 1 1    1   30    3 o  263.595   27.287   20.114   4.1019   0.0000   0.0000   20.114   4.1019  ?   ?   263.595   27.287      ?      ? 
1 1 1    1   30    5 o  249.932   37.958   22.856   5.1777   9.4780   9.2414   28.977   6.2509  185.138   67.456  314.726   34.827 -129.5887 75.91621 
1 1 1    1   30    7 o  593.821   17.996  101.363   5.9835   98.581   7.7126  105.569   9.4831  584.408   23.142  603.235   27.566 -18.82733 35.99164 
1 1 1    1   30    9 o  258.560   18.790   18.834   2.6701   21.646   4.5343   17.340   3.3036  272.380   29.190  244.740   23.670 27.63956 37.58085 
1 1 1    1   30   11 o  600.786   19.504  105.341   6.6738  102.136   9.1625  108.964   9.7405  591.285   27.172  610.287   27.987 -19.00134 39.00742 
1 1 1    1   30   13 o  214.657   32.957   16.274   3.6400   10.531   6.9127   18.477   4.2816  179.398   58.670  249.915   30.042 -70.51674 65.91393 
1 1 1    1   30   15 o  182.194   40.576   11.323   4.7411   9.6864   6.6742   12.991   6.7360  170.317   57.698  194.072   57.066 -23.75473 81.15161 
1 1 1    1   30   17 o  262.999   29.770   23.543   3.4929   19.720   7.1980   24.721   3.9948  237.175   54.377  288.824   24.253 -51.64908 59.54079 
1 1 1    1   30   23 o  116.607   37.403   3.2681   5.2148   3.3270   8.9401   3.2378   6.4201  120.178   55.542  113.037   50.111 7.141289 74.80647 
1 1 1    1   30   25 o  100.177   28.352   3.6002   2.7586   5.3520   3.0784  -3.5409   6.2154  115.971   39.186   84.383   40.987 31.58840 56.70494 
1 1 1    1   30   27 o   84.228   28.811  -0.9134   4.2761  -4.8396   6.0453   3.0180   6.0493   75.000   37.201   93.456   44.004 -18.45594 57.62186 
1 1 1    1   31    0 f  241.591   22.803   17.703   4.2213   17.703   4.2213   17.703   4.2213  241.591   32.249  241.591   32.249 0.000000 0.000000 
1 1 1    1   31    2 o  247.370   31.667   18.633   4.3598   17.922   6.3369   19.272   6.0077  240.186   47.943  254.555   41.384 -14.36839 63.33377 
1 1 1    1   31    4 o  242.542   24.666   18.298   3.1577   13.966   4.8534   21.477   4.1582  213.242   41.403  271.841   26.822 -58.59952 49.33163 
1 1 1    1   31    6 o  296.820   42.998   28.626   7.0339   26.300   9.8838   31.013   10.012  283.114   62.855  310.526   58.689 -27.41177 85.99545 
1 1 1    1   31    8 o  191.951   43.641   12.160   5.3991   9.4008   9.3430   13.544   6.6156  179.984   67.420  203.917   55.433 -23.93326 87.28265 
1 1 1    1   31   10 o  346.943   27.695   36.463   5.4754   35.051   7.7666   37.857   7.7203  339.787   40.080  354.098   38.231 -14.31064 55.39015 
1 1 1    1   31   12 o  135.872   38.623   4.0713   4.5984   3.0215   6.5388   5.0986   6.4680  130.404   53.942  141.339   55.293 -10.93442 77.24657 
1 1 1    1   31   14 o  264.394   21.224   21.034   3.1922   22.653   4.5128   19.414   4.5161  275.141   28.761  253.647   31.221 21.49483 42.44880 
1 1 1    1   31   16 o  116.172   34.380   2.5318   3.7085   3.0317   4.5482   1.5400   6.4061  114.219   45.821  118.125   51.268 -3.906113 68.75996 
1 1 1    1   31   20 o  107.712   35.299  -1.2334   4.4074  -3.2213   5.1096   4.5454   8.7116   84.933   40.128  130.490   58.084 -45.55762 70.59773 
1 1 1    1   31   22 o  109.129   31.621   3.7575   3.2213   5.4956   4.4666   1.8736   4.6502  119.817   46.204   98.440   43.182 21.37649 63.24135 
1 1 1    1   31   24 o  102.934   33.072   2.8030   4.3653   6.5013   6.1596  -0.9288   6.1875  115.979   50.304   89.889   42.948 26.08953 66.14417 
1 1 1    1   31   26 o   88.423   29.248   0.6888   3.1616  -1.9052   3.6972   7.7470   6.0986   67.628   32.544  109.219   48.608 -41.59088 58.49688 
1 1 1    1   32    1 o  125.764   31.589   3.4863   3.3805   7.6057   4.2720  -3.4139   5.5289  155.915   45.332   95.613   44.006 60.30221 63.17801 
1 1 1    1   32    3 o  353.214   30.737   37.448   5.8192   39.468   10.203   36.474   7.0844  356.493   50.187  349.935   35.500 6.557983 61.47360 
1 1 1    1   32    5 o  431.786   22.898   50.463   3.5494   61.953   11.031   49.136   3.7488  450.459   42.942  413.113   15.912 37.34586 45.79516 
1 1 1    1   32    7 o  144.618   41.487   4.4593   5.1360   4.3706   8.8421   4.5045   6.3096  150.904   62.599  138.333   54.462 12.57124 82.97393 
1 1 1    1   32    9 o  150.783   38.154   1.2500   3.7076   16.927   8.8971  -2.0446   4.0787  217.535   65.974   84.030   38.345 133.5052 76.30779 
1 1 1    1   32   11 o  222.699   25.039   15.133   3.1773   15.746   4.6111   14.578   4.3843  226.894   35.636  218.504   35.184 8.390015 50.07832 
1 1 1    1   32   13 o  110.242   31.950   1.8832   3.2622   4.2621   4.8640  -0.0616   4.3979  124.981   48.210   95.503   41.941 29.47854 63.90048 
1 1 1    1   32   15 o   97.807   31.237  -0.9034   3.3293  -1.6724   3.9317   1.0453   6.2587   81.903   37.479  113.710   49.983 -31.80717 62.47375 
1 1 1    1   32   19 o  178.004   33.126   10.910   2.8473   14.367   6.6894   10.145   3.1466  181.237   57.578  174.772   32.774 6.464630 66.25220 
1 1 1    1   32   21 o  104.887   34.075   1.6911   3.7931   0.9291   4.2268   4.8430   8.5962   90.231   40.290  119.543   54.965 -29.31145 68.14943 
1 1 1    1   32   23 o   93.077   29.627   1.9597   3.4527  -2.1543   6.1242   3.8767   4.1804   85.376   41.282  100.778   42.507 -15.40199 59.25404 
1 1 1    1   32   25 o  109.204   33.183   6.7746   3.5078   10.373   6.2075   5.0865   4.2518  118.398   50.925  100.009   42.556 18.38893 66.36598 
1 1 1    1   33    0 f  501.271   20.829   73.788   8.3543   73.788   8.3543   73.788   8.3543  501.271   29.457  501.271   29.457 0.000000 0.000000 
1 1 1    1   33    2 o  619.569   26.849  113.134   9.4867   0.0000   0.0000  113.134   9.4867  ?   ?   619.569   26.849      ?      ? 
1 1 1    1   33    4 o  211.135   41.370   16.142   5.1716   11.665   9.2159   18.200   6.2482  185.799   67.414  236.470   47.973 -50.67067 82.74059 
1 1 1    1   33    6 o  195.925   38.858   10.359   3.4488   18.289   9.2090   9.0658   3.7195  223.363   66.982  168.486   39.412 54.87669 77.71667 
1 1 1    1   33    8 o  348.956   17.777   37.794   3.3484   27.927   5.1549   44.995   4.4039  305.138   29.623  392.775   19.661 -87.63669 35.55387 
1 1 1    1   33   10 o  101.734   33.379  -1.5263   3.7348  -4.1751   8.7155  -0.9305   4.1336  114.913   53.694   88.554   39.670 26.35887 66.75854 
1 1 1    1   33   12 o  247.734   36.606   21.685   5.0089   18.816   7.1084   24.515   7.0590  227.501   55.323  267.967   47.953 -40.46674 73.21296 
1 1 1    1   33   14 o  194.009   69.556   16.828   9.7749   0.0000   0.0000   16.828   9.7749  ?   ?   194.009   69.556      ?      ? 
1 1 1    1   33   18 o  116.582   33.379   4.5799   3.5976   6.2490   4.3931   1.1815   6.2687  127.744   46.514  105.419   47.884 22.32529 66.75710 
1 1 1    1   33   20 o   82.444   27.659  -1.6323   3.3170  -3.3255   6.0550  -0.9064   3.9649   85.871   41.405   79.018   36.684 6.853172 55.31763 
1 1 1    1   33   22 o  104.340   32.336   3.8689   3.4131   1.7827   4.1073   8.5236   6.1353   87.839   39.433  120.840   51.260 -33.00132 64.67243 
1 1 1    1   33   24 o   73.810   25.668  -2.5384   3.4515  -4.0992   4.2582   0.4512   5.8933   64.602   31.893   83.019   40.228 -18.41720 51.33653 
1 1 1    1   34    1 o  182.258   37.343   6.8168   3.3979   21.859   8.5639   4.0063   3.7017  246.260   61.238  118.257   42.753 128.0032 74.68518 
1 1 1    1   34    3 o  145.611   39.089   6.3439   4.6725   1.6196   8.0428   8.7507   5.7407  130.370   56.999  160.852   53.507 -30.48256 78.17863 
1 1 1    1   34    5 o  198.712   42.698   14.004   5.0051   15.932   9.0085   13.143   6.0197  203.574   66.995  193.849   52.953 9.725327 85.39540 
1 1 1    1   34    7 f  219.357   46.451   18.644   6.7387   26.742   9.6428   10.914   9.4209  265.565   64.346  173.148   67.009 92.41742 92.90133 
1 1 1    1   34    9 o  116.013   31.113   3.6561   2.9001   5.1857   4.0623   2.0662   4.1415  127.536   44.934  104.490   43.048 23.04636 62.22629 
1 1 1    1   34   11 o  214.972   31.793   15.105   3.2830   14.472   3.7339   17.262   6.8911  216.451   30.249  213.494   55.930 2.957031 63.58580 
1 1 1    1   34   15 o  183.609   48.122   17.633   6.9880   12.202   9.8272   23.188   9.9387  156.891   65.613  210.327   70.413 -53.43594 96.24492 
1 1 1    1   34   17 o  230.001   31.771   21.558   3.5262   17.058   6.7860   23.222   4.1271  190.258   57.599  269.743   26.829 -79.48471 63.54100 
1 1 1    1   34   19 o   94.408   28.954   2.4165   2.9190   3.6711   3.3286  -1.7616   6.0743  100.518   39.562   88.298   42.286 12.22076 57.90766 
1 1 1    1   34   21 o  127.147   31.908   8.1610   2.9986   6.4106   4.3718   9.7161   4.1207  112.760   45.034  141.533   45.214 -28.77387 63.81517 
1 1 1    1   34   23 o   91.936   29.973   3.9425   3.4081   2.7353   4.0953   6.6622   6.1467   84.938   38.628   98.935   45.840 -13.99661 59.94534 
1 1 1    1   35    0 o  206.352   57.384   19.510   9.1620   19.510   9.1620   19.510   9.1620  206.352   81.153  206.352   81.153 0.000000 0.000000 
1 1 1    1   35    2 o  252.478   27.061   20.193   3.3133   20.817   6.4243   19.967   3.8673  247.169   47.299  257.786   26.306 -10.61673 54.12236 
1 1 1    1   35    4 o   84.957   40.207  -4.3154   5.1689   0.0000   0.0000  -4.3154   5.1689  ?   ?    84.957   40.207      ?      ? 
1 1 1    1   35    6 o  121.285   36.415   2.2305   3.3319   6.8554   8.3444   1.3532   3.6342  147.483   60.965   95.088   39.844 52.39479 72.83072 
1 1 1    1   35    8 o  130.114   38.779   3.9474   4.4176   7.0050   8.5815   2.8450   5.1528  146.257   61.253  113.972   47.575 32.28450 77.55795 
1 1 1    1   35   10 o  150.320   28.730   7.1268   3.1765   14.730   4.5668   0.0001   4.4213  207.998   39.952   92.643   41.298 115.3551 57.45991 
1 1 1    1   35   14 o  100.625   31.906   0.5403   3.5778  -1.4871   4.3826   4.5914   6.1951   82.635   38.431  118.614   50.942 -35.97865 63.81287 
1 1 1    1   35   16 f  130.281   28.245   7.6848   2.8911   10.039   3.2481  -1.2921   6.3433  167.384   35.146   93.178   44.226 74.20567 56.49046 
1 1 1    1   35   18 o   81.445   26.113  -0.8143   2.8936   3.5709   3.9628  -5.8225   4.2350   98.683   41.491   64.207   31.718 34.47578 52.22612 
1 1 1    1   35   20 o   96.531   31.853   3.7490   4.3788   1.0140   6.2455   6.3931   6.1408   88.245   42.423  104.817   47.527 -16.57139 63.70684 
1 1 1    1   36    1 o  319.161   34.160   35.237   5.6600   34.283   6.9181   37.169   9.8433  325.246   37.298  313.076   57.241 12.16989 68.31991 
1 1 1    1   36    3 o  189.251   30.891   13.203   3.1166   14.364   3.6837   10.278   5.8462  214.866   30.062  163.636   53.976 51.23021 61.78258 
1 1 1    1   36    5 o  111.103   34.965   1.2632   4.4154  -2.4628   7.9898   2.9015   5.2979  108.671   50.979  113.536   47.868 -4.865051 69.92957 
1 1 1    1   36    7 o  108.305   34.291  -2.5218   5.1125 -15.3103   8.0305   6.1937   6.6295   82.745   41.336  133.865   54.726 -51.12054 68.58271 
1 1 1    1   36   11 o  143.568   61.763   10.121   9.1336   0.0000   0.0000   10.121   9.1336  ?   ?   143.568   61.763      ?      ? 
1 1 1    1   36   13 o  104.240   32.475   2.8258   3.7293   3.5119   4.6557   1.5973   6.2297  105.669   44.729  102.811   47.094 2.857445 64.95013 
1 1 1    1   36   15 o  144.422   29.577   10.262   3.3821   0.9956   6.3588   13.918   3.9939   96.923   45.471  191.920   37.836 -94.99683 59.15388 
1 1 1    1   36   17 o  108.984   34.328   6.0565   4.3956   8.7595   6.2171   3.3546   6.2157  119.628   51.196   98.339   45.746 21.28832 68.65621 
1 1 1    1   36   19 o   90.699   29.522   3.3758   3.4181   3.3729   6.1438   3.3771   4.1136   91.518   43.463   89.881   39.966 1.637016 59.04500 
1 1 1    1   37    0 o   60.413   28.172  -0.0808   3.5268  -0.0808   3.5268  -0.0808   3.5268   60.413   39.841   60.413   39.841 -0.000000 0.000000 
1 1 1    1   37    2 o  110.214   34.577   1.9353   4.3516   3.4768   5.3955  -0.9337   7.3605  114.073   48.212  106.354   49.576 7.719574 69.15353 
1 1 1    1   37    4 o   90.236   30.772  -5.3674   4.7265  -3.7477   6.8330  -6.8534   6.5448   94.887   45.280   85.585   41.682 9.302185 61.54357 
1 1 1    1   37    6 o  177.724   62.105   15.594   7.7514   0.0000   0.0000   15.594   7.7514  ?   ?   177.724   62.105      ?      ? 
1 1 1    1   37   10 o  144.253   37.210   10.550   4.3484   5.7864   8.9571   12.019   4.9739  121.618   55.988  166.888   49.027 -45.26944 74.41982 
1 1 1    1   37   12 o  188.577   43.404   21.909   5.6753   20.116   9.8257   22.806   6.9522  161.183   66.343  215.970   55.983 -54.78694 86.80775 
1 1 1    1   37   14 o  133.752   36.098   9.3632   4.5285   17.292   6.4282   1.5516   6.3806  172.597   56.583   94.907   44.841 77.69015 72.19657 
1 1 1    1   37   16 o   79.473   27.273  -1.3985   3.7378  -2.5181   4.7956   0.3345   5.9663   73.326   35.704   85.621   41.237 -12.29454 54.54649 
1 1 1    1   37   18 o   68.665   24.121  -3.4689   3.3881  -3.0808   5.9434  -3.6558   4.1238   73.771   36.641   63.559   31.379 10.21162 48.24147 
1 1 1    1   38    1 o   94.338   30.217   0.2925   3.6037  -2.4927   5.2806   2.7202   4.9301   85.078   40.372  103.599   44.970 -18.52112 60.43338 
1 1 1    1   38    3 o  100.303   32.818   0.5387   4.2667  -0.4816   5.3725   2.2812   7.0211   91.878   42.670  108.727   49.874 -16.84956 65.63678 
1 1 1    1   38    5 o  132.692   56.180   8.8208   7.3472   0.0000   0.0000   8.8208   7.3472  ?   ?   132.692   56.180      ?      ? 
1 1 1    1   38    7 o   98.207   41.097   3.0048   3.8587   0.0000   0.0000   3.0048   3.8587  ?   ?    98.207   41.097      ?      ? 
1 1 1    1   38    9 o   78.063   27.458  -5.8364   4.0661  -7.2120   8.1912  -5.3866   4.6839   86.511   42.977   69.615   34.187 16.89532 54.91609 
1 1 1    1   38   11 o  104.672   32.933   4.7340   3.9215   1.5007   8.7020   5.5580   4.3929   99.585   48.400  109.760   44.673 -10.17552 65.86519 
1 1 1    1   38   13 o   95.740   31.563   3.5245   4.0657   1.5403   8.7267   4.0746   4.5949   94.581   46.492   96.898   42.702 -2.317085 63.12686 
1 1 1    1   38   15 o   87.794   28.950   2.6541   3.2537   5.0448   6.1170   1.7108   3.8423   95.085   44.606   80.502   36.915 14.58331 57.89986 
1 1 1    1   39    0 o   54.812   28.186 -10.7141   7.0758 -10.7141   7.0758 -10.7141   7.0758   54.812   39.862   54.812   39.862 -0.000000 0.000000 
1 1 1    1   39    2 o  101.408   48.327   1.4141   7.7291   0.0000   0.0000   1.4141   7.7291  ?   ?   101.408   48.327      ?      ? 
1 1 1    1   39    4 o   74.427   25.507  -1.6978   2.6842  -7.2630   7.1243  -0.7771   2.8977   80.733   40.102   68.121   31.531 12.61218 51.01388 
1 1 1    1   39    6 o  120.646   41.362   6.3353   3.4303   0.0000   0.0000   6.3353   3.4303  ?   ?   120.646   41.362      ?      ? 
1 1 1    1   39    8 o  124.123   31.739   8.8813   3.8335  -3.2423   8.9816   11.582   4.2390   90.229   44.854  158.017   44.917 -67.78854 63.47789 
1 1 1    1   39   10 o   91.923   32.038   0.2537   5.9957  -4.1988   8.4656   4.7350   8.4929   84.573   42.278   99.274   48.149 -14.70080 64.07559 
1 1 1    1   39   12 o   96.367   44.805  -1.0728   4.9083 -14.6714   8.6832   5.3126   5.9501  ?   ?    96.367   44.805      ?      ? 
1 1 1    1   40    1 o  120.204   42.621   6.9158   3.6605   0.0000   0.0000   6.9158   3.6605  ?   ?   120.204   42.621      ?      ? 
1 1 1    1   40    3 o  111.243   36.743   9.1065   5.8211   7.2508   8.5800   10.689   7.9238  105.978   50.618  116.509   53.274 -10.53130 73.48701 
1 1 1    1   40    5 o  112.844   36.258   8.4454   4.7004   14.562   8.6611   5.8917   5.5962  122.590   55.916  103.098   46.173 19.49233 72.51578 
1 1 1    1   40    7 o   95.788   40.263   4.3355   3.7301   0.0000   0.0000   4.3355   3.7301  ?   ?    95.788   40.263      ?      ? 
1 1 1    1   40    9 o   77.347   38.979 -10.6713   5.6194 -16.0241   7.9354  -5.2870   7.9587  ?   ?    77.347   38.979      ?      ? 
1 1 1    1   41    0 o  109.899   43.562   10.031   5.8134   10.031   5.8134   10.031   5.8134  109.899   61.606  109.899   61.606 -0.000000 0.000000 
1 1 1    1   41    2 o  105.273   34.881   7.7978   4.7624   2.9774   5.7257   18.618   8.5785   87.105   41.534  123.441   56.050 -36.33596 69.76108 
1 1 1    2    0    0 o  844.021   14.834  203.594   10.083  203.594   10.083  203.594   10.083  844.021   20.978  844.021   20.978 -0.000000 0.000000 
1 1 1    2    0    2 o  565.355   14.659   91.584   6.6638   91.584   6.6638   91.584   6.6638  565.355   20.732  565.355   20.732 -0.000000 0.000000 
1 1 1    2    0    4 o  682.757   14.730  133.399   8.0937  133.399   8.0937  133.399   8.0937  682.757   20.831  682.757   20.831 0.000000 0.000000 
1 1 1    2    0    6 o  1988.12   13.766  1128.01   22.068  1128.01   22.068  1128.01   22.068  1988.12   19.468  1988.12   19.468 0.000000 0.000000 
1 1 1    2    0    8 o  501.059   10.271   71.785   4.1426   71.785   4.1426   71.785   4.1426  501.059   14.525  501.059   14.525 0.000000 0.000000 
1 1 1    2    0   10 o  1440.54   12.895  592.190   14.977  592.190   14.977  592.190   14.977  1440.54   18.237  1440.54   18.237 0.000000 0.000000 
1 1 1    2    0   12 o  1111.85   12.513  352.898   11.214  352.898   11.214  352.898   11.214  1111.85   17.697  1111.85   17.697 -0.000000 0.000000 
1 1 1    2    0   14 o  143.121   20.045   6.4905   2.0562   6.4905   2.0562   6.4905   2.0562  143.121   28.348  143.121   28.348 -0.000000 0.000000 
1 1 1    2    0   16 o  694.185   9.4934  137.651   5.3105  137.651   5.3105  137.651   5.3105  694.185   13.426  694.185   13.426 -0.000000 0.000000 
1 1 1    2    0   18 o  851.478   15.494  207.630   10.624  207.630   10.624  207.630   10.624  851.478   21.912  851.478   21.912 -0.000000 0.000000 
1 1 1    2    0   20 o  682.631   16.211  133.641   8.9020  133.641   8.9020  133.641   8.9020  682.631   22.926  682.631   22.926 0.000000 0.000000 
1 1 1    2    0   22 o  259.489   14.166   19.568   2.9240   19.568   2.9240   19.568   2.9240  259.489   20.034  259.489   20.034 0.000000 0.000000 
1 1 1    2    0   24 o   39.011   19.499  -3.1043   2.4970  -3.1043   2.4970  -3.1043   2.4970   39.011   27.576   39.011   27.576 0.000000 0.000000 
1 1 1    2    0   26 o   66.148   31.452  -1.9720   4.7769  -1.9720   4.7769  -1.9720   4.7769   66.148   44.480   66.148   44.480 -0.000000 0.000000 
1 1 1    2    0   28 o  180.996   37.742   11.604   4.7890   11.604   4.7890   11.604   4.7890  180.996   53.375  180.996   53.375 0.000000 0.000000 
1 1 1    2    0   30 o  149.900   42.525   9.0964   4.9968   9.0964   4.9968   9.0964   4.9968  149.900   60.139  149.900   60.139 0.000000 0.000000 
1 1 1    2    0   32 o  125.389   44.837   7.0348   5.6335   7.0348   5.6335   7.0348   5.6335  125.389   63.409  125.389   63.409 0.000000 0.000000 
1 1 1    2    0   34 o   72.491   33.991  -0.7440   5.2496  -0.7440   5.2496  -0.7440   5.2496   72.491   48.070   72.491   48.070 -0.000000 0.000000 
1 1 1    2    0   36 o  128.871   37.840   7.2927   3.9174   7.2927   3.9174   7.2927   3.9174  128.871   53.514  128.871   53.514 -0.000000 0.000000 
1 1 1    2    0   38 o  108.635   38.933   6.2048   4.2532   6.2048   4.2532   6.2048   4.2532  108.635   55.060  108.635   55.060 -0.000000 0.000000 
1 1 1    2    0   40 o   50.876   24.599  -0.8441   3.1801  -0.8441   3.1801  -0.8441   3.1801   50.876   34.789   50.876   34.789 -0.000000 0.000000 
1 1 1    2    1    1 o  471.340   17.493   62.831   4.4513   65.575   7.7235   61.467   5.4470  478.786   28.286  463.894   20.589 14.89218 34.98637 
1 1 1    2    1    3 o  1305.56   18.878  486.220   13.248  483.991   16.205  490.710   23.004  1301.65   21.830  1309.47   30.805 -7.825195 37.75582 
1 1 1    2    1    5 f  513.829   9.0532   74.568   2.5522   78.056   4.2785   72.641   3.1799  523.031   14.344  504.628   11.050 18.40240 18.10637 
1 1 1    2    1    7 o  1211.10   12.470  418.567   8.6129  417.589   12.182  419.544   12.179  1209.68   17.659  1212.51   17.613 -2.831299 24.94084 
1 1 1    2    1    9 o  1673.78   13.265  799.400   12.662  804.946   17.910  793.859   17.903  1679.59   18.699  1667.97   18.822 11.61475 26.53094 
1 1 1    2    1   11 o  582.177   9.9471   96.805   2.9164   96.942   3.4039   96.426   5.6552  583.010   10.238  581.344   17.058 1.665894 19.89420 
1 1 1    2    1   13 o  590.173   14.812   99.458   4.9841  102.003   7.0600   96.930   7.0373  597.707   20.712  582.638   21.179 15.06921 29.62355 
1 1 1    2    1   15 o  1159.88   11.820  384.034   7.7408  385.402   11.820  383.006   10.243  1161.57   17.844  1158.20   15.507 3.366943 23.64065 
1 1 1    2    1   17 o   89.936   19.003   2.2735   1.0221   2.6793   1.6862   2.0379   1.2852   96.035   28.631   83.838   24.996 12.19747 38.00698 
1 1 1    2    1   19 o  568.058   12.642   92.294   4.0951   91.289   5.7548   93.326   5.8286  564.924   17.863  571.191   17.893 -6.267212 25.28328 
1 1 1    2    1   21 o  580.826   11.565   95.242   3.7313   91.521   4.7239  101.416   6.0844  566.047   14.634  595.604   17.913 -29.55615 23.13030 
1 1 1    2    1   23 o  352.234   13.080   35.459   2.6272   35.940   3.7090   34.974   3.7220  354.641   18.339  349.827   18.657 4.814484 26.16066 
1 1 1    2    1   25 o  909.569   12.346  236.615   6.3867  239.502   8.7464  233.317   9.3480  915.595   16.751  903.544   18.142 12.05060 24.69210 
1 1 1    2    1   27 f  405.303   19.591   46.838   4.4987   50.259   6.8464   44.238   5.9679  418.113   28.713  392.493   26.662 25.61981 39.18279 
1 1 1    2    1   29 o  147.858   36.777   5.6448   3.9036   3.8525   5.4204   7.5759   5.6263  133.843   51.075  161.873   52.930 -28.03015 73.55408 
1 1 1    2    1   31 o  171.572   28.730   9.1763   2.7769   7.6414   4.1212   10.453   3.7580  157.675   44.104  185.470   36.829 -27.79433 57.45931 
1 1 1    2    1   33 o  109.696   33.656  -6.9718   3.9640   7.0476   7.3803 -12.6559   4.6994  157.359   59.706   62.032   31.081 95.32764 67.31118 
1 1 1    2    1   35 o   98.314   27.966   0.6029   2.7883   4.5616   3.7445  -4.3242   4.1775  121.787   43.115   74.841   35.628 46.94653 55.93122 
1 1 1    2    1   37 o   68.439   23.247  -4.4376   2.6881  -6.7958   3.9468  -2.3971   3.6714   63.083   31.059   73.795   34.599 -10.71192 46.49408 
1 1 1    2    1   39 o  149.979   27.012   8.4120   2.3229   10.998   3.5955   6.5591   3.0434  170.389   37.973  129.569   38.427 40.82053 54.02380 
1 1 1    2    1   41 o   94.686   27.045   4.2443   2.2810   4.6217   2.7192   3.3479   4.1904  100.682   36.605   88.690   39.821 11.99220 54.08954 
1 1 1    2    2    0 o  1202.71   15.320  413.252   14.849  413.252   14.849  413.252   14.849  1202.71   21.665  1202.71   21.665 0.000000 0.000000 
1 1 1    2    2    2 o  692.976   20.779  137.394   8.2119  137.689   11.615  137.099   11.612  693.722   29.359  692.230   29.414 1.491455 41.55885 
1 1 1    2    2    4 o  280.905   13.247   22.486   2.0851   22.752   3.2772   22.305   2.7028  282.267   20.359  279.543   16.954 2.724060 26.49355 
1 1 1    2    2    6 o  1275.11   11.808  464.094   8.4989  464.833   11.248  463.111   12.974  1276.36   15.453  1273.86   17.859 2.506836 23.61687 
1 1 1    2    2    8 o  457.221   8.9519   59.196   2.1929   60.889   3.8512   58.384   2.6675  461.999   14.617  452.444   10.338 9.555450 17.90379 
1 1 1    2    2   10 o  1291.11   11.888  475.753   8.6638  476.726   11.468  474.459   13.223  1292.70   15.556  1289.52   17.981 3.179932 23.77646 
1 1 1    2    2   12 o  725.820   11.436  150.075   4.6897  152.059   7.1581  148.583   6.2075  729.985   17.194  721.654   15.083 8.330505 22.87258 
1 1 1    2    2   14 o  632.042   13.522  113.718   4.7889  112.160   6.1988  116.025   7.5423  626.777   17.342  637.307   20.752 -10.53076 27.04433 
1 1 1    2    2   16 o  990.904   13.860  280.347   7.6356  282.719   12.271  278.848   9.7541  994.009   21.646  987.800   17.315 6.209656 27.71957 
1 1 1    2    2   18 o  564.838   11.024   91.234   3.3962   91.338   4.2272   91.046   5.7040  565.489   13.108  564.187   17.728 1.301880 22.04770 
1 1 1    2    2   20 o  303.244   10.639   26.123   1.7497   25.793   2.1563   26.760   2.9938  300.546   12.581  305.942   17.159 -5.396210 21.27703 
1 1 1    2    2   22 o  375.879   15.057   40.826   3.0259   39.224   5.2426   41.627   3.7053  370.073   24.841  381.685   17.023 -11.61169 30.11394 
1 1 1    2    2   24 f  173.450   19.998   8.2344   1.8570   12.877   3.0236   5.4223   2.3531  212.089   24.999  134.811   31.222 77.27808 39.99662 
1 1 1    2    2   26 o  550.053   13.439   85.462   4.0691   90.540   6.7845   82.609   5.0852  562.464   21.151  537.642   16.585 24.82263 26.87799 
1 1 1    2    2   28 o  435.572   15.500   54.896   3.7150   52.625   6.0466   56.273   4.7085  427.899   24.778  443.245   18.627 -15.34616 30.99904 
1 1 1    2    2   30 o  297.725   26.692   26.861   4.1549   16.762   5.7601   37.815   5.9992  234.321   44.736  361.129   29.130 -126.8082 53.38432 
1 1 1    2    2   32 o  202.500   31.692   13.601   4.2020   1.9375   6.2550   23.194   5.6726  125.681   52.436  279.320   35.611 -153.6387 63.38487 
1 1 1    2    2   34 o  129.740   34.409   4.6531   3.6024   6.6618   4.5319   1.2055   5.9372  143.846   47.527  115.633   49.771 28.21293 68.81771 
1 1 1    2    2   36 o  121.669   31.303   4.0107   3.0898   7.8649   4.4379   0.3849   4.3044  148.747   46.859   94.590   41.518 54.15690 62.60633 
1 1 1    2    2   38 o   82.274   26.227  -2.3639   2.9189   3.1709   4.0981  -8.0633   4.1586  103.388   42.730   61.161   30.423 42.22656 52.45380 
1 1 1    2    2   40 o   85.437   26.699   0.8974   2.8237  -3.4576   4.1095   4.7923   3.8864   67.591   32.942  103.284   42.026 -35.69224 53.39809 
1 1 1    2    3    1 o  631.029   14.523  113.738   5.2255  111.289   7.3892  116.189   7.3906  624.221   20.757  637.837   20.318 -13.61572 29.04611 
1 1 1    2    3    3 f  317.051   29.150   28.749   5.2706   28.749   5.2706   0.0000   0.0000  317.051   29.150  ?   ?       ?      ? 
1 1 1    2    3    5 o  1062.90   13.622  323.423   8.0832  327.128   10.449  317.901   12.756  1070.62   17.114  1055.17   21.197 15.45483 27.24381 
1 1 1    2    3    7 o  1941.36   14.624  1083.41   15.211  1053.11   26.334  1098.57   18.634  1920.52   24.044  1962.21   16.652 -41.69312 29.24740 
1 1 1    2    3    9 o  1542.72   12.213  679.331   10.635  681.140   14.080  676.927   16.228  1545.18   15.978  1540.26   18.475 4.914917 24.42583 
1 1 1    2    3   11 o  397.770   10.481   45.138   2.3774   44.603   3.3606   45.675   3.3638  395.408   14.903  400.132   14.741 -4.723907 20.96193 
1 1 1    2    3   13 o  370.921   11.793   38.990   1.9959   38.808   2.2291   39.730   4.4823  368.846   10.597  372.996   21.072 -4.149963 23.58640 
1 1 1    2    3   15 o  1025.86   15.369  300.932   8.9914  299.340   12.734  302.516   12.697  1023.15   21.824  1028.58   21.646 -5.437378 30.73854 
1 1 1    2    3   17 o  391.908   9.3803   42.758   1.9679   40.799   2.3753   47.046   3.5138  378.053   11.017  405.762   15.185 -27.70813 18.76063 
1 1 1    2    3   19 o  324.196   13.933   30.042   2.5738   28.429   3.5713   31.785   3.7126  315.144   19.871  333.248   19.535 -18.10349 27.86567 
1 1 1    2    3   21 o  545.659   10.999   83.239   3.1538   80.519   3.7566   89.732   5.8047  531.074   12.404  560.245   18.168 -29.17065 21.99833 
1 1 1    2    3   23 o  382.396   11.744   40.369   1.9894   44.017   4.7203   39.581   2.1937  392.343   21.096  372.449   10.328 19.89386 23.48894 
1 1 1    2    3   25 o  376.229   17.561   40.498   3.7630   37.677   5.2400   43.501   5.4073  362.684   25.335  389.774   24.326 -27.09033 35.12270 
1 1 1    2    3   27 o  197.557   30.041   11.790   3.2827   12.544   4.5515   10.973   4.7390  204.589   40.444  190.526   44.432 14.06262 60.08269 
1 1 1    2    3   29 o  250.034   31.837   18.632   4.4340   16.645   6.1348   20.805   6.4160  233.611   47.663  266.457   42.223 -32.84605 63.67468 
1 1 1    2    3   31 o  341.283   27.339   34.044   5.2807   37.828   8.0988   31.245   6.9649  357.231   39.754  325.334   37.540 31.89700 54.67710 
1 1 1    2    3   33 o  142.605   32.530   6.1679   2.9769   5.2096   3.8613   7.5722   4.6742  131.272   43.889  153.938   48.026 -22.66602 65.05945 
1 1 1    2    3   35 o  125.040   35.391   4.0064   3.8691   5.1753   5.2083   2.5669   5.7798  131.367   50.081  118.713   50.021 12.65385 70.78291 
1 1 1    2    3   37 o   83.826   27.033  -1.7324   3.0002  -5.0561   4.3344   1.3250   4.1571   71.740   34.699   95.912   41.463 -24.17188 54.06646 
1 1 1    2    3   39 o   90.922   27.559   1.8431   2.7099   4.0307   3.6409  -0.8737   4.0575  103.324   41.150   78.520   36.671 24.80418 55.11898 
1 1 1    2    3   41 o   77.246   25.190  -0.1155   2.8594  -5.5700   4.2591   4.3600   3.8580   60.874   30.362   93.619   40.204 -32.74476 50.38056 
1 1 1    2    4    0 o  758.496   14.731  164.551   8.9958  164.551   8.9958  164.551   8.9958  758.496   20.832  758.496   20.832 0.000000 0.000000 
1 1 1    2    4    2 o  653.516   17.832  121.592   6.2822  120.659   7.7011  123.448   10.862  650.015   20.775  657.017   28.988 -7.002747 35.66384 
1 1 1    2    4    4 o  165.535   10.165   7.0680   0.1712   7.0566   0.1719   8.6197   2.0056  157.313   1.9156  173.756   20.240 -16.44318 20.33088 
1 1 1    2    4    6 o  1283.97   14.102  469.853   10.120  474.023   16.022  467.084   13.054  1288.58   21.803  1279.36   17.892 9.220459 28.20464 
1 1 1    2    4    8 o  598.592   10.394  102.215   3.5480  102.938   5.0188  101.494   5.0164  600.708   14.650  596.477   14.747 4.230774 20.78730 
1 1 1    2    4   10 o  926.011   10.568  244.621   5.5807  245.133   7.8939  244.110   7.8907  926.979   14.932  925.042   14.958 1.937012 21.13547 
1 1 1    2    4   12 o  626.533   12.097  112.022   4.3224  112.201   6.1111  111.843   6.1145  627.034   17.090  626.031   17.127 1.002502 24.19469 
1 1 1    2    4   14 o  751.391   13.992  160.782   5.9180  164.445   9.1817  158.179   7.7404  758.581   21.224  744.200   18.238 14.38037 27.98381 
1 1 1    2    4   16 o  586.034   10.746   96.292   3.4088  103.807   5.9251   92.574   4.1676  602.655   17.240  569.414   12.834 33.24188 21.49255 
1 1 1    2    4   18 o  264.531   13.263   19.577   1.9783   16.591   2.5876   23.779   3.0691  240.787   18.844  288.275   18.668 -47.48773 26.52541 
1 1 1    2    4   20 o  731.604   11.587  151.981   4.7662  158.812   7.4589  147.267   6.1963  745.279   17.549  717.929   15.134 27.35022 23.17380 
1 1 1    2    4   22 o  599.250   10.047  102.701   3.4146  104.189   4.6126  100.897   5.0789  604.106   13.389  594.394   14.983 9.711548 20.09357 
1 1 1    2    4   24 o  399.609   16.339   45.737   3.7189   48.133   5.2433   43.312   5.2756  410.190   22.414  389.027   23.779 21.16278 32.67785 
1 1 1    2    4   26 o  859.364   12.013  211.124   5.8778  210.714   8.5527  211.492   8.0914  858.510   17.469  860.217   16.494 -1.707153 24.02518 
1 1 1    2    4   28 o  179.786   32.478   10.206   3.3198   11.622   4.1524   7.6971   5.5266  196.731   38.389  162.841   52.399 33.88986 64.95660 
1 1 1    2    4   30 o  222.419   38.229   15.494   4.5473   15.659   5.4653   15.124   8.1975  226.407   43.913  218.431   62.590 7.975937 76.45803 
1 1 1    2    4   32 o  162.497   34.895   6.6738   3.8349   14.403   6.1801   1.8341   4.8903  211.079   51.741  113.914   46.836 97.16526 69.79054 
1 1 1    2    4   34 o  112.423   29.792   2.2573   3.0561  -3.4826   4.7384   6.3459   3.9991   84.761   39.600  140.085   44.520 -55.32307 59.58368 
1 1 1    2    4   36 o  102.495   30.749   1.3113   3.2350   3.6253   4.5204  -1.1179   4.6315  114.878   45.820   90.112   41.019 24.76526 61.49861 
1 1 1    2    4   38 o   89.076   28.280   0.4795   3.0194  -0.7746   4.4045   1.5914   4.1472   84.466   39.019   93.687   40.946 -9.221008 56.56000 
1 1 1    2    4   40 o   84.518   27.269   0.7322   3.0182   4.2747   4.3871  -2.4512   4.1588   98.695   42.630   70.342   34.014 28.35326 54.53722 
1 1 1    2    5    1 o  2102.13   17.280  1262.48   20.716  1254.60   29.297  1270.36   29.296  2095.56   24.515  2108.70   24.361 -13.14087 34.56073 
1 1 1    2    5    3 o  1103.12   21.526  347.961   13.541  345.284   19.199  350.612   19.102  1098.88   30.636  1107.36   30.248 -8.483154 43.05259 
1 1 1    2    5    5 o  959.754   15.051  262.959   8.2375  265.576   11.652  260.344   11.647  964.533   21.184  954.975   21.386 9.557861 30.10154 
1 1 1    2    5    7 o  874.105   13.634  218.691   6.6553  221.360   8.6102  214.730   10.490  880.819   17.141  867.390   21.206 13.42944 27.26709 
1 1 1    2    5    9 o  1110.73   11.719  351.974   7.3449  352.003   11.233  351.952   9.7077  1110.72   17.733  1110.73   15.326 -0.8422852E-02 23.43798 
1 1 1    2    5   11 o  421.284   12.197   50.645   2.9302   50.857   4.1382   50.432   4.1498  422.169   17.188  420.398   17.309 1.771576 24.39348 
1 1 1    2    5   13 o  823.241   14.971  193.586   7.0288  193.613   9.9541  193.560   9.9264  823.295   21.201  823.187   21.145 0.1085205 29.94273 
1 1 1    2    5   15 o  821.526   13.122  192.433   5.8022  194.302   10.050  191.498   7.1060  824.195   21.382  818.857   15.217 5.338379 26.24398 
1 1 1    2    5   17 o  250.902   14.034   18.036   2.0051   19.151   2.8353   16.921   2.8360  258.694   19.218  243.110   20.455 15.58395 28.06727 
1 1 1    2    5   19 o  556.711   11.526   86.996   3.5649   95.496   5.8429   81.955   4.4993  577.856   17.730  535.565   14.731 42.29089 23.05161 
1 1 1    2    5   21 o  776.326   10.831  172.633   4.7734  177.856   6.5077  166.550   7.0227  789.148   14.460  763.504   16.129 25.64349 21.66192 
1 1 1    2    5   23 o  858.909   15.308  210.449   7.4710  205.109   10.089  216.932   11.116  846.963   20.888  870.856   22.383 -23.89282 30.61596 
1 1 1    2    5   25 o  640.828   11.901  116.910   4.3223  113.666   5.7641  121.078   6.5332  630.770   16.024  650.887   17.601 -20.11633 23.80218 
1 1 1    2    5   27 o  347.121   17.529   33.337   3.2424   31.257   3.8856   38.105   5.8836  330.306   20.628  363.935   28.348 -33.62848 35.05900 
1 1 1    2    5   29 o  142.934   36.183   4.9439   3.8090   2.8062   5.1505   7.5244   5.6588  124.664   49.166  161.204   53.100 -36.54002 72.36621 
1 1 1    2    5   31 o  367.190   24.509   35.051   4.5386   50.338   9.4179   30.427   5.1797  411.191   40.162  323.190   28.103 88.00058 49.01828 
1 1 1    2    5   33 o  151.334   34.300   7.2158   3.4412   9.4073   4.8678   5.0265   4.8653  169.408   48.126  133.260   48.886 36.14752 68.59987 
1 1 1    2    5   35 o  146.867   36.676   7.4126   3.8890   8.7364   5.2407   5.7904   5.8016  157.203   51.068  136.530   52.655 20.67278 73.35213 
1 1 1    2    5   37 o  120.701   31.017   5.2003   2.8044   3.8741   4.4995   6.0427   3.5862  112.440   45.410  128.962   42.262 -16.52206 62.03333 
1 1 1    2    5   39 o   89.782   27.601   2.0956   2.6345   2.6276   3.3764   1.2676   4.2123   91.709   38.415   87.855   39.642 3.853264 55.20165 
1 1 1    2    5   41 o   89.848   29.409   4.0520   3.5667   4.5072   5.0587   3.6021   5.0295   91.519   42.111   88.178   41.063 3.340500 58.81735 
1 1 1    2    6    0 o  1065.65   15.140  324.418   13.000  324.418   13.000  324.418   13.000  1065.65   21.411  1065.65   21.411 0.000000 0.000000 
1 1 1    2    6    2 o  433.155   14.423   53.566   3.5622   54.761   5.0396   52.372   5.0359  437.991   20.176  428.320   20.617 9.671234 28.84655 
1 1 1    2    6    4 o  1996.49   24.133  1139.85   27.477  1149.26   38.868  1130.45   38.849  2004.75   33.997  1988.23   34.263 16.51550 48.26699 
1 1 1    2    6    6 o  1628.82   16.227  757.330   15.073  762.312   21.323  752.353   21.309  1634.18   22.880  1623.46   23.017 10.72095 32.45380 
1 1 1    2    6    8 o  720.715   11.985  148.190   4.9252  151.948   6.9923  144.490   6.9386  729.785   16.801  711.644   17.097 18.14075 23.97031 
1 1 1    2    6   10 o  855.132   11.782  208.156   5.7313  215.203   8.4636  202.187   7.7888  868.454   17.089  841.810   16.224 26.64410 23.56392 
1 1 1    2    6   12 o  697.908   12.220  139.048   4.8625  143.125   6.8871  134.995   6.8661  708.120   17.054  687.696   17.507 20.42413 24.44094 
1 1 1    2    6   14 o  279.836   14.504   22.550   2.2507   21.647   3.5952   23.132   2.8862  275.109   22.915  284.562   17.785 -9.453278 29.00727 
1 1 1    2    6   16 o   89.932   19.631   2.2585   1.1390   1.4818   1.5984   3.0599   1.6235   78.306   28.121  101.558   27.400 -23.25229 39.26259 
1 1 1    2    6   18 o  329.198   7.9500   30.936   1.4823   30.902   1.9835   30.978   2.2310  329.020   10.571  329.377   11.877 -0.3575134 15.90002 
1 1 1    2    6   20 o  135.275   21.338   5.4555   1.4613   5.5920   1.6952   5.0606   2.8834  139.777   21.266  130.772   37.001 9.004837 42.67687 
1 1 1    2    6   22 o  450.435   12.570   58.296   3.0006   58.858   3.6357   57.095   5.3139  454.034   14.041  446.836   20.853 7.198425 25.13993 
1 1 1    2    6   24 o  909.695   13.324  236.514   6.8959  236.753   10.111  236.305   9.4295  910.051   19.482  909.339   18.183 0.7126465 26.64883 
1 1 1    2    6   26 o  710.286   14.507  144.426   5.8704  152.999   8.3604  136.087   8.2447  731.143   20.051  689.430   20.970 41.71289 29.01320 
1 1 1    2    6   28 o  413.365   15.822   50.294   3.6053   43.530   5.6550   54.926   4.6797  388.929   25.496  437.801   18.743 -48.87256 31.64417 
1 1 1    2    6   30 o  223.435   53.195   15.606   8.0948   12.736   11.487   18.437   11.409  208.483   75.322  238.387   75.137 -29.90375 106.3906 
1 1 1    2    6   32 o  124.325   32.076   2.4624   3.1466  -0.8312   3.9724   8.0090   5.1550   89.313   39.514  159.337   50.537 -70.02407 64.15100 
1 1 1    2    6   34 o   71.785   24.391  -6.2365   2.7860  -1.6479   4.4669  -9.1578   3.5642   88.831   40.377   54.739   27.374 34.09230 48.78180 
1 1 1    2    6   36 o   92.304   29.375  -1.7378   3.4289   2.5303   4.9169  -5.7789   4.7843  109.392   46.117   75.216   36.398 34.17590 58.75039 
1 1 1    2    6   38 o   67.024   22.744  -3.3484   2.5154  -2.0391   3.6313  -4.5561   3.4875   72.028   33.969   62.020   30.253 10.00833 45.48812 
1 1 1    2    6   40 o  102.119   30.923   4.6149   3.3788   8.7258   4.9450   1.0152   4.6274  121.034   48.035   83.203   38.956 37.83102 61.84599 
1 1 1    2    7    1 o  1811.97   16.572  937.485   17.125  939.450   24.218  935.519   24.218  1813.88   23.412  1810.07   23.461 3.804565 33.14429 
1 1 1    2    7    3 o  2422.65   22.184  1669.94   28.941  1699.47   50.177  1655.22   35.427  2437.77   36.093  2407.54   25.803 30.23486 44.36776 
1 1 1    2    7    5 o  784.000   18.332  176.555   7.7057  178.631   9.4407  172.409   13.338  791.137   20.925  776.863   30.106 14.27429 36.66326 
1 1 1    2    7    7 o  812.871   14.938  188.576   6.9246  189.298   9.7979  187.855   9.7878  814.426   21.095  811.315   21.154 3.110901 29.87519 
1 1 1    2    7    9 o  541.716   14.768   83.738   4.5606   87.001   6.5009   80.577   6.3995  552.109   20.647  531.324   21.120 20.78448 29.53558 
1 1 1    2    7   11 o  386.410   13.619   42.432   2.9466   41.639   3.8038   43.621   4.6595  381.958   17.463  390.861   20.904 -8.903076 27.23809 
1 1 1    2    7   13 o  876.460   13.868  219.947   6.7817  217.180   10.734  221.785   8.7488  871.679   21.594  881.242   17.409 -9.562439 27.73701 
1 1 1    2    7   15 o  459.879   8.7618   60.452   2.2948   58.554   3.2985   62.233   3.1947  452.855   12.772  466.904   11.998 -14.04861 17.52369 
1 1 1    2    7   17 o  379.175   7.1637   41.296   1.4852   41.969   1.8615   40.117   2.4637  383.511   8.5111  374.839   11.525 8.672302 14.32731 
1 1 1    2    7   19 o  711.312   12.221  145.338   4.8976  140.004   7.4571  149.384   6.4946  699.621   18.690  723.003   15.751 -23.38208 24.44234 
1 1 1    2    7   21 o  595.888   14.185  100.431   4.5367   98.337   5.5196  104.791   7.9646  586.693   16.497  605.084   23.081 -18.39111 28.37050 
1 1 1    2    7   23 o  730.839   11.033  151.496   4.5685  144.001   6.0656  161.322   6.9451  710.136   14.978  751.542   16.204 -41.40601 22.06602 
1 1 1    2    7   25 o  339.403   22.830   34.113   4.2825   41.095   5.8400   25.991   6.2987  378.522   27.054  300.285   36.781 78.23764 45.65935 
1 1 1    2    7   27 o  192.489   30.101   11.252   3.2269   9.3657   4.5683   13.130   4.5587  175.719   45.299  209.260   39.652 -33.54019 60.20150 
1 1 1    2    7   29 o  204.377   36.873   12.908   4.7087   20.265   6.6319   5.4278   6.6867  257.681   46.856  151.073   56.948 106.6081 73.74687 
1 1 1    2    7   31 o  294.975   32.554   27.113   5.2055   28.945   6.8339   24.581   8.0344  311.561   38.462  278.389   52.533 33.17151 65.10787 
1 1 1    2    7   33 o  244.213   24.598   17.652   3.3536   15.938   4.2528   20.470   5.4533  229.937   32.432  258.489   36.993 -28.55188 49.19669 
1 1 1    2    7   35 o  124.473   35.574   4.0815   3.8802   3.3001   5.1531   5.1046   5.8966  117.565   48.177  131.380   52.354 -13.81496 71.14790 
1 1 1    2    7   37 o   91.101   27.482   0.5558   2.7927   3.8218   3.7287  -3.6169   4.2147  108.286   42.087   73.915   35.352 34.37072 54.96469 
1 1 1    2    7   39 o   70.370   23.294  -2.4494   2.6121  -8.8733   4.2443   1.4670   3.3140   57.896   29.082   82.844   36.395 -24.94810 46.58699 
1 1 1    2    8    0 o  1404.65   15.737  563.323   17.817  563.323   17.817  563.323   17.817  1404.65   22.255  1404.65   22.255 0.000000 0.000000 
1 1 1    2    8    2 o  741.429   14.759  156.895   6.2405  155.754   8.8278  158.035   8.8230  738.731   20.954  744.126   20.791 -5.394836 29.51870 
1 1 1    2    8    4 o  576.155   20.836   94.890   6.8384   89.619   9.6695  100.163   9.6723  560.109   30.272  592.202   28.640 -32.09253 41.67261 
1 1 1    2    8    6 o  1279.59   19.130  468.509   13.146  464.696   22.771  470.415   16.100  1275.37   31.308  1283.82   21.990 -8.449097 38.25931 
1 1 1    2    8    8 o  1282.06   22.075  469.677   16.140  471.856   22.827  467.499   22.824  1285.04   31.149  1279.08   31.290 5.958618 44.15094 
1 1 1    2    8   10 o  640.673   21.001  117.258   7.6679  123.409   10.991  111.426   10.702  657.050   29.333  624.296   30.061 32.75391 42.00106 
1 1 1    2    8   12 f  701.015   10.931  139.566   4.3292  145.337   6.6478  135.317   5.7046  713.488   16.338  688.543   14.528 24.94556 21.86295 
1 1 1    2    8   14 o   95.133   20.998   2.5358   1.2859   3.2385   1.8270   1.8459   1.8101  104.795   29.385   85.472   30.004 19.32381 41.99614 
1 1 1    2    8   16 o  424.320   9.4612   50.568   2.1450   53.875   3.8174   49.042   2.5931  434.168   15.418  414.472   10.970 19.69540 18.92241 
1 1 1    2    8   18 o  526.562   10.029   78.500   2.9248   76.338   3.6934   82.137   4.7895  517.033   12.526  536.090   15.666 -19.05756 20.05822 
1 1 1    2    8   20 o  301.825   14.934   26.153   2.4931   25.694   4.0347   26.437   3.1709  299.544   23.619  304.106   18.283 -4.561737 29.86870 
1 1 1    2    8   22 o  753.212   12.638  162.251   5.3637  161.078   8.2316  163.117   7.0709  750.724   19.227  755.700   16.407 -4.976196 25.27590 
1 1 1    2    8   24 o  990.961   12.647  282.207   7.0743  268.724   10.653  292.841   9.4615  969.491   19.269  1012.43   16.387 -42.94171 25.29448 
1 1 1    2    8   26 o  684.945   17.133  135.015   6.5397  132.598   10.369  136.611   8.4272  679.379   26.763  690.512   21.400 -11.13336 34.26680 
1 1 1    2    8   28 o  260.138   30.265   20.149   4.3701   19.663   6.4516   20.561   5.9405  254.886   46.080  265.391   39.250 -10.50523 60.53094 
1 1 1    2    8   30 o  120.795   35.238   1.6776   3.9101   0.9084   5.2088   2.6707   5.9184  112.906   47.525  128.684   52.041 -15.77856 70.47677 
1 1 1    2    8   32 o  215.302   30.787   14.425   3.7109   18.362   5.4937   11.122   5.0326  245.536   39.233  185.068   47.457 60.46764 61.57447 
1 1 1    2    8   34 o  132.811   32.520   5.6231   2.9153   5.7092   3.5754   5.4523   5.0355  132.364   42.099  133.258   49.579 -0.8944244 65.04095 
1 1 1    2    8   36 o  146.190   29.728   8.3298   2.7494   4.4145   5.1768   9.8682   3.2449  120.006   48.623  172.374   34.217 -52.36788 59.45534 
1 1 1    2    8   38 o   78.572   26.070  -2.1106   3.0667   1.0546   4.2582  -5.5212   4.4202   89.162   40.079   67.983   33.350 21.17932 52.13983 
1 1 1    2    8   40 o   72.935   35.341  -6.7708   3.4736  -1.6197   4.5481 -13.9818   5.3812   72.935   35.341  ?   ?       ?      ? 
1 1 1    2    9    1 o  2429.92   22.308  1687.82   29.136  1684.12   50.457  1689.67   35.687  2427.13   36.453  2432.71   25.724 -5.573486 44.61554 
1 1 1    2    9    3 o  2229.61   21.763  1423.47   26.056  1410.11   45.128  1430.15   31.913  2221.05   35.628  2238.18   25.002 -17.12305 43.52554 
1 1 1    2    9    5 o  1847.16   16.716  974.002   17.609  967.036   24.907  980.963   24.899  1840.55   23.729  1853.77   23.552 -13.22180 33.43292 
1 1 1    2    9    7 o  1001.84   30.406  286.787   17.372  286.787   17.372   0.0000   0.0000  1001.84   30.406  ?   ?       ?      ? 
1 1 1    2    9   11 o  734.938   12.191  154.223   5.1093  154.947   7.2117  153.493   7.2396  736.675   17.166  733.201   17.314 3.473511 24.38132 
1 1 1    2    9   13 o  709.804   13.768  144.063   5.4558  143.909   8.6447  144.164   7.0336  709.300   21.371  710.308   17.363 -1.007690 27.53557 
1 1 1    2    9   15 o  368.368   9.3153   37.557   1.7809   35.974   2.0976   41.643   3.3707  355.014   10.361  381.723   15.484 -26.70963 18.63058 
1 1 1    2    9   17 o  341.540   12.141   33.368   2.3640   32.538   3.3532   34.189   3.3333  337.300   17.432  345.781   16.904 -8.481293 24.28211 
1 1 1    2    9   19 o  448.898   12.020   57.769   2.8524   58.065   3.4448   57.121   5.0872  450.935   13.395  446.861   19.963 4.073639 24.04034 
1 1 1    2    9   21 o  1142.96   14.655  371.739   9.3737  364.466   12.085  382.725   14.852  1129.28   18.765  1156.64   22.516 -27.36169 29.31028 
1 1 1    2    9   23 o  600.309   11.595  102.517   3.9227  100.274   5.1399  105.645   6.0705  592.552   15.210  608.065   17.506 -15.51270 23.19043 
1 1 1    2    9   25 o  641.837   18.669  118.189   6.8261  117.697   9.4309  118.730   9.8929  640.523   25.818  643.150   26.972 -2.627258 37.33739 
1 1 1    2    9   27 o  315.571   22.602   29.822   3.9025   33.725   5.0866   24.237   6.0843  342.305   26.057  288.836   36.937 53.46872 45.20332 
1 1 1    2    9   29 o  292.900   21.420   26.080   3.3421   28.836   4.1943   21.286   5.5312  316.215   23.258  269.585   35.978 46.63031 42.84083 
1 1 1    2    9   31 o  119.567   34.844   1.7742   3.8988  -0.1140   5.4478   3.7568   5.5822  108.409   47.165  130.725   51.303 -22.31585 69.68837 
1 1 1    2    9   33 o  250.908   31.368   19.732   4.3012   14.221   5.6284   27.469   6.6688  205.329   48.787  296.487   39.441 -91.15785 62.73601 
1 1 1    2    9   35 o  109.671   32.593   2.2962   3.4958   0.8972   5.0027   3.6312   4.8869  102.481   44.876  116.860   47.279 -14.37859 65.18541 
1 1 1    2    9   37 o  115.367   33.188   4.2447   3.7724   7.8182   5.0042  -0.4591   5.7413  135.813   49.615   94.921   44.093 40.89131 66.37633 
1 1 1    2    9   39 o  122.540   33.325   8.2984   3.4528   9.2925   4.2582   6.3902   5.8997  136.266   46.087  108.814   48.148 27.45163 66.65022 
1 1 1    2   10    0 o  2250.32   17.714  1445.38   32.141  1445.38   32.141  1445.38   32.141  2250.32   25.052  2250.32   25.052 -0.000000 0.000000 
1 1 1    2   10    2 o  1989.81   20.862  1129.15   22.330  1136.26   38.694  1125.61   27.343  1993.93   34.029  1985.69   24.146 8.238281 41.72488 
1 1 1    2   10    4 o  1481.30   19.467  625.818   15.517  629.171   26.865  624.139   19.008  1483.90   31.747  1478.71   22.540 5.186890 38.93472 
1 1 1    2   10   10 o  448.096   15.074   57.390   3.8501   55.427   5.4544   59.339   5.4354  440.440   21.715  455.753   20.913 -15.31308 30.14807 
1 1 1    2   10   12 o  617.795   15.056  109.154   5.3044  109.359   7.5106  108.949   7.4924  618.375   21.298  617.215   21.286 1.159363 30.11112 
1 1 1    2   10   14 o  348.447   13.291   36.897   2.0066   38.183   2.2304   31.437   4.5958  365.745   10.693  331.148   24.336 34.59641 26.58137 
1 1 1    2   10   16 o  377.408   11.039   41.810   1.7979   39.046   4.2430   42.414   1.9849  369.296   20.147  385.521   9.0280 -16.22467 22.07723 
1 1 1    2   10   18 o  150.747   17.623   6.4629   1.4277   7.1892   2.3989   6.0646   1.7765  155.939   28.004  145.555   21.402 10.38399 35.24604 
1 1 1    2   10   20 o  612.252   12.189  107.101   4.2545  107.200   6.1001  107.007   5.9366  612.511   17.464  611.993   17.010 0.5186768 24.37846 
1 1 1    2   10   22 o  974.965   11.134  271.102   6.1862  261.868   8.5482  281.255   8.9637  957.568   15.654  992.362   15.839 -34.79474 22.26887 
1 1 1    2   10   24 o  909.482   13.367  236.854   6.9035  240.111   9.3766  232.999   10.201  916.448   17.941  902.516   19.820 13.93243 26.73437 
1 1 1    2   10   26 o  363.611   22.070   38.552   4.5242   34.574   6.6913   41.902   6.1405  345.756   33.935  381.466   28.226 -35.70975 44.13983 
1 1 1    2   10   28 o  279.763   20.354   23.652   3.1013   17.972   4.7521   27.866   4.0931  248.458   33.538  311.068   23.073 -62.61003 40.70856 
1 1 1    2   10   30 o  170.922   29.174   7.3280   3.7717  -2.6685   5.2498   17.993   5.4225   95.998   43.688  245.846   38.676 -149.8487 58.34797 
1 1 1    2   10   32 o  228.089   33.261   17.346   4.1032   18.998   5.1899   14.592   6.7011  249.711   36.444  206.466   55.650 43.24553 66.52148 
1 1 1    2   10   34 o  101.701   31.191   1.0019   2.9399   0.8431   3.3766   1.4993   5.9768   89.570   38.013  113.832   49.462 -24.26162 62.38227 
1 1 1    2   10   36 o   83.600   27.656  -2.7338   3.3605  -5.5694   4.7762   0.0464   4.7291   74.199   36.015   93.001   41.980 -18.80194 55.31166 
1 1 1    2   10   38 o   85.578   28.458  -0.3205   3.2576  -0.9762   3.9018   1.1881   5.9183   76.302   35.740   94.854   44.296 -18.55236 56.91643 
1 1 1    2   10   40 o  112.755   31.809   7.8879   3.0568   7.4433   3.9236   8.5744   4.8758  113.266   43.399  112.244   46.517 1.021919 63.61835 
1 1 1    2   11    1 o  539.555   17.851   82.329   5.1992   80.714   6.3643   85.569   9.0150  531.789   20.986  547.322   28.882 -15.53339 35.70111 
1 1 1    2   11    3 o  980.370   21.401  274.340   11.965   0.0000   0.0000  274.340   11.965  ?   ?   980.370   21.401      ?      ? 
1 1 1    2   11    7 o  553.402   21.103   87.573   6.6596   86.407   9.4164   88.741   9.4199  549.704   30.037  557.100   29.650 -7.396057 42.20613 
1 1 1    2   11    9 o  299.397   15.441   25.620   2.6358   25.100   3.7384   26.134   3.7168  296.369   22.119  302.425   21.551 -6.056549 30.88150 
1 1 1    2   11   11 o  541.287   15.146   83.969   4.6605   76.278   6.5914   91.658   6.5904  516.375   22.383  566.199   20.410 -49.82404 30.29155 
1 1 1    2   11   13 o  414.611   10.917   49.524   2.2964   48.234   4.3747   50.014   2.6980  410.651   18.680  418.571   11.303 -7.920044 21.83356 
1 1 1    2   11   15 o  430.770   13.375   53.113   3.2845   52.569   4.6935   53.635   4.5979  428.585   19.203  432.955   18.622 -4.369568 26.74953 
1 1 1    2   11   17 o  115.126   24.324   3.6395   1.7818   5.4826   2.6609   2.1411   2.3992  135.370   34.397   94.881   34.401 40.48962 48.64759 
1 1 1    2   11   19 o  658.002   16.611  123.952   6.2328  125.798   8.8247  122.114   8.8044  662.907   23.343  653.097   23.639 9.809448 33.22184 
1 1 1    2   11   21 o  965.172   11.329  266.069   6.2341  265.470   8.9213  266.639   8.7151  964.092   16.226  966.251   15.816 -2.159851 22.65886 
1 1 1    2   11   23 o  161.670   28.801   7.7275   2.7471   4.7977   3.8015   10.930   3.9742  131.818   43.527  191.522   37.728 -59.70485 57.60235 
1 1 1    2   11   25 o  181.458   27.859   8.5326   2.9465   16.774   4.8942   3.8476   3.6902  240.889   35.627  122.028   42.839 118.8611 55.71761 
1 1 1    2   11   27 o  342.086   21.437   33.115   4.1103   30.145   5.2600   37.772   6.5870  323.092   28.548  361.080   31.988 -37.98840 42.87441 
1 1 1    2   11   29 f  210.699   32.193   13.727   3.7177   13.830   5.7370   13.652   4.8813  210.398   48.765  210.999   42.042 -0.6013184 64.38649 
1 1 1    2   11   31 o  170.094   35.153   9.2875   3.5756   8.8278   4.6272   9.9689   5.6334  165.578   46.881  174.610   52.395 -9.032059 70.30699 
1 1 1    2   11   33 o  101.667   30.724   1.0548   2.9581   1.5859   5.2985   0.8142   3.5654  111.246   47.426   92.088   39.071 19.15857 61.44730 
1 1 1    2   11   35 o  108.464   29.859   3.4591   2.6033   4.0324   3.1113   2.1205   4.7543  111.431   39.317  105.496   44.949 5.934212 59.71744 
1 1 1    2   11   37 o   87.637   29.363  -1.7899   3.9198  -3.1848   5.4184  -0.2583   5.6776   82.451   39.606   92.822   43.360 -10.37076 58.72562 
1 1 1    2   11   39 o   84.391   28.549  -0.2213   3.7488  -3.4594   4.8239   4.7160   5.9566   70.859   34.777   97.922   45.284 -27.06231 57.09738 
1 1 1    2   12    0 o  741.730   21.165  157.813   12.614  157.813   12.614  157.813   12.614  741.730   29.932  741.730   29.932 -0.000000 0.000000 
1 1 1    2   12    2 o  1579.00   19.913  715.935   16.858  701.840   29.208  722.975   20.643  1566.74   32.690  1591.27   22.748 -24.53088 39.82549 
1 1 1    2   12    6 o  519.240   18.352   77.204   5.1163   77.490   6.2640   76.631   8.8679  520.896   21.087  517.584   30.043 3.311890 36.70483 
1 1 1    2   12    8 o  573.357   13.101   93.760   4.0602   93.486   4.9970   94.292   6.9653  572.273   15.311  574.441   21.262 -2.168640 26.20118 
1 1 1    2   12   10 o  481.886   15.122   66.437   4.1538   64.160   5.8796   68.705   5.8693  473.616   21.768  490.156   20.997 -16.54013 30.24457 
1 1 1    2   12   12 o  520.719   15.181   77.729   4.4986   71.770   6.3538   83.719   6.3702  500.603   22.256  540.835   20.654 -40.23166 30.36266 
1 1 1    2   12   14 o  346.697   15.832   33.488   3.0758   29.571   3.9284   39.694   4.9446  321.296   21.439  372.097   23.301 -50.80115 31.66384 
1 1 1    2   12   16 o  476.755   11.523   64.723   2.9275   65.657   5.1770   64.283   3.5494  479.074   18.949  474.436   13.119 4.637665 23.04696 
1 1 1    2   12   18 o  273.666   21.913   21.511   3.4194   21.997   4.8440   21.028   4.8277  276.767   30.690  270.565   31.288 6.202057 43.82662 
1 1 1    2   12   20 o  306.630   19.938   25.760   3.4088   20.585   4.3335   34.157   5.5206  268.008   28.353  345.251   28.039 -77.24255 39.87563 
1 1 1    2   12   22 o  301.664   11.582   25.713   1.9816   22.931   2.6479   29.256   2.9877  283.315   16.388  320.013   16.371 -36.69839 23.16428 
1 1 1    2   12   24 o  185.953   27.287   8.9886   2.7855   15.590   4.8626   5.7644   3.3984  232.316   36.703  139.590   40.388 92.72633 54.57352 
1 1 1    2   12   26 o  407.281   17.684   47.712   4.1068   48.290   5.8645   47.155   5.7530  409.688   25.101  404.875   24.916 4.813232 35.36724 
1 1 1    2   12   28 f  427.245   19.472   48.836   4.3398   63.192   8.3678   43.553   5.0758  465.841   31.498  388.648   22.901 77.19312 38.94322 
1 1 1    2   12   30 o  167.780   38.017   8.6711   4.1568   11.211   6.1829   6.5763   5.6151  185.730   54.690  149.830   52.824 35.89972 76.03490 
1 1 1    2   12   32 o  126.233   31.681   3.3127   2.8741   0.8017   3.4823   8.6771   5.0898   91.844   38.770  160.622   50.116 -68.77800 63.36195 
1 1 1    2   12   34 f  129.168   36.522   4.9873   4.0802   3.9958   5.6351   6.0799   5.9157  122.610   50.328  135.726   52.940 -13.11526 73.04453 
1 1 1    2   12   36 o  119.025   31.753   4.0935   2.6235   2.5179   3.0186   8.9585   5.3041   94.044   37.464  144.007   51.279 -49.96287 63.50648 
1 1 1    2   12   38 o  107.166   33.187   5.5813   3.9161   6.4928   5.1870   4.3732   5.9719  112.199   47.337  102.133   46.525 10.06626 66.37307 
1 1 1    2   13    1 o  299.680   16.381   25.705   1.7022   25.584   5.2935   25.719   1.7976  299.084   31.035  300.276   10.498 -1.191711 32.76280 
1 1 1    2   13    3 o  1309.53   22.228  489.819   16.600   0.0000   0.0000  489.819   16.600  ?   ?   1309.53   22.228      ?      ? 
1 1 1    2   13    5 o  977.749   21.579  273.606   12.032  270.081   16.999  277.145   17.032  971.418   30.685  984.080   30.349 -12.66217 43.15842 
1 1 1    2   13    7 o  1701.12   33.067  829.902   32.079  829.902   32.079   0.0000   0.0000  1701.12   33.067  ?   ?       ?      ? 
1 1 1    2   13    9 o  852.349   13.497  207.732   6.5588  213.338   9.2647  202.101   9.2863  863.911   18.805  840.787   19.367 23.12323 26.99452 
1 1 1    2   13   11 o  679.554   13.909  131.929   5.2141  132.929   8.5480  131.337   6.5801  681.307   22.000  677.800   17.023 3.506836 27.81720 
1 1 1    2   13   13 o  656.351   15.844  123.496   5.9259  129.537   8.4031  117.520   8.3582  672.394   21.914  640.307   22.889 32.08734 31.68809 
1 1 1    2   13   15 o  256.854   18.726   18.560   2.6851   17.232   3.4129   20.716   4.3498  245.161   24.410  268.547   28.403 -23.38570 37.45100 
1 1 1    2   13   17 o  380.410   18.679   41.489   4.0515   42.489   5.7321   40.490   5.7273  385.016   26.106  375.804   26.724 9.212128 37.35879 
1 1 1    2   13   19 o  621.950   11.514  110.469   4.0532  110.337   5.4087  110.638   6.1214  621.589   15.258  622.310   17.248 -0.7207031 23.02857 
1 1 1    2   13   21 o  422.041   19.380   51.167   4.6519   47.340   6.6257   54.887   6.5327  406.349   28.592  437.733   26.169 -31.38464 38.75970 
1 1 1    2   13   23 o  321.677   16.023   29.859   2.9128   27.645   4.3210   31.703   3.9435  310.553   24.398  332.802   20.778 -22.24841 32.04655 
1 1 1    2   13   25 o  146.275   33.287   6.1442   3.1466   6.0710   4.2765   6.2307   4.6463  144.866   46.038  147.684   48.090 -2.817810 66.57481 
1 1 1    2   13   27 o  235.062   29.959   16.636   3.9128   15.048   5.6018   18.148   5.4676  221.459   45.864  248.666   38.556 -27.20731 59.91738 
1 1 1    2   13   29 o  215.031   37.148   15.098   5.4214   2.6112   8.1430   25.040   7.2658  142.393   59.652  287.669   44.289 -145.2761 74.29622 
1 1 1    2   13   31 o  165.861   35.539   9.1072   3.5907   9.2630   4.5194   8.8404   5.9131  168.090   45.868  163.633   54.298 4.456955 71.07892 
1 1 1    2   13   33 o  114.563   33.219   2.6688   3.5212   4.6313   5.0988   0.8796   4.8685  126.218   49.171  102.908   44.679 23.31007 66.43793 
1 1 1    2   13   35 o  116.029   33.290   1.8790   4.0873   9.2773   5.7071  -5.9118   5.8565  149.464   53.194   82.594   40.041 66.87061 66.58036 
1 1 1    2   13   37 o  137.903   39.520   11.848   5.2218   14.167   6.5573   7.8295   8.6329  156.627   56.859  119.178   54.902 37.44855 79.03964 
1 1 1    2   13   39 o   95.056   29.364   2.9597   3.3527   10.095   4.9697  -3.0000   4.5419  121.983   48.236   68.129   33.500 53.85372 58.72748 
1 1 1    2   14    2 o  698.770   29.820  139.776   11.883   0.0000   0.0000  139.776   11.883  ?   ?   698.770   29.820      ?      ? 
1 1 1    2   14    4 o  165.623   22.848   9.0145   1.9594   5.3454   3.3323   10.953   2.4224  135.482   40.217  195.764   21.698 -60.28262 45.69653 
1 1 1    2   14    6 o  533.235   10.045   81.253   3.0498   79.633   4.4151   82.732   4.2179  528.125   14.659  538.345   13.739 -10.21960 20.09074 
1 1 1    2   14    8 o  224.314   11.551   13.201   0.7714   15.812   2.9692   13.012   0.7988  235.046   22.151  213.582   6.5580 21.46375 23.10115 
1 1 1    2   14   10 o   85.315   23.167   0.9466   1.5018   2.6776   2.7479   0.2094   1.7933  103.736   36.912   66.893   28.007 36.84260 46.33414 
1 1 1    2   14   12 o  460.507   16.721   60.946   4.3756   66.919   6.1913   54.985   6.1847  483.227   22.467  437.786   24.772 45.44113 33.44273 
1 1 1    2   14   14 o  174.921   21.847   7.5352   1.9920   4.8341   2.3589   14.249   3.7190  127.174   32.426  222.668   29.287 -95.49347 43.69411 
1 1 1    2   14   16 o  407.811   12.664   48.071   2.7794   45.906   4.7462   49.201   3.4288  400.569   20.777  415.053   14.486 -14.48392 25.32813 
1 1 1    2   14   18 o  321.584   10.508   29.552   1.9190   26.132   2.6824   33.136   2.7465  302.493   15.550  340.674   14.137 -38.18088 21.01511 
1 1 1    2   14   20 o  338.639   17.283   32.487   3.0197   33.626   5.6814   32.038   3.5650  342.460   29.091  334.819   18.671 7.640747 34.56670 
1 1 1    2   14   22 o  125.104   33.335   3.5216   3.2072  -3.0746   7.0395   5.2494   3.6028  115.071   51.643  135.138   42.164 -20.06738 66.66959 
1 1 1    2   14   24 o  525.553   14.135   76.711   3.7037   84.187   7.4600   74.265   4.2667  541.435   24.160  509.672   14.679 31.76303 28.27024 
1 1 1    2   14   26 o  329.719   18.458   29.883   3.3553   25.957   4.1486   37.307   5.7053  300.167   24.235  359.271   27.846 -59.10397 36.91543 
1 1 1    2   14   28 o  243.532   21.707   17.447   2.9397   17.867   3.7904   16.813   4.6568  247.943   26.807  239.121   34.149 8.821854 43.41393 
1 1 1    2   14   30 o  177.345   39.582   10.627   4.4978   8.3565   7.4851   11.910   5.6271  164.849   60.611  189.840   50.923 -24.99036 79.16314 
1 1 1    2   14   32 o  101.464   29.371  -1.0797   2.9480   5.9382   4.8880  -5.0918   3.6958  136.348   49.153   66.579   32.164 69.76829 58.74129 
1 1 1    2   14   34 o  124.681   29.704   5.6331   2.7047   1.6844   5.0414   7.2290   3.2050  104.658   45.452  144.704   38.255 -40.04592 59.40810 
1 1 1    2   14   36 o  146.850   37.520   9.5905   4.7400   18.439   6.9011   1.6882   6.5216  191.046   58.141  102.654   47.441 88.39214 75.04031 
1 1 1    2   14   38 o   77.508   26.854  -2.4067   3.9849  -3.1258   6.2080  -1.9028   5.1969   78.388   38.663   76.628   37.280 1.759148 53.70864 
1 1 1    2   15    1 o  486.679   15.826   67.634   4.3924   67.634   4.3924   0.0000   0.0000  486.679   15.826  ?   ?       ?      ? 
1 1 1    2   15    3 o  478.741   16.669   66.296   3.5269   64.429   8.1554   66.726   3.9116  474.033   30.168  483.448   14.188 -9.415619 33.33768 
1 1 1    2   15    5 o  571.179   18.167   92.099   5.6199   97.752   9.7218   89.262   6.8872  583.767   29.202  558.590   21.620 25.17657 36.33438 
1 1 1    2   15    7 o  595.234   15.008  101.364   5.0908   95.950   7.1271  107.003   7.2740  578.977   21.585  611.490   20.859 -32.51398 30.01694 
1 1 1    2   15    9 o  431.293   16.554   53.322   4.0706   54.760   5.7663   51.893   5.7470  437.117   23.132  425.470   23.685 11.64688 33.10704 
1 1 1    2   15   11 o  177.136   16.021   9.6277   1.4147   14.753   2.0336   4.8211   1.9694  227.180   15.696  127.092   27.934 100.0888 32.04179 
1 1 1    2   15   13 o  627.766   14.027  112.407   4.7572  111.626   5.8461  113.937   8.1848  624.908   16.404  630.625   22.758 -5.716553 28.05437 
1 1 1    2   15   15 o  678.131   13.665  131.751   4.8093  132.096   5.7235  130.922   8.8704  680.056   14.758  676.206   23.002 3.849304 27.32939 
1 1 1    2   15   17 o  795.915   16.310  181.270   7.4031  180.433   10.468  182.107   10.471  794.071   23.117  797.759   23.015 -3.687744 32.62006 
1 1 1    2   15   19 o  1067.16   16.132  325.996   9.7998  301.499   13.780  351.068   13.940  1026.45   23.540  1107.86   22.064 -81.40869 32.26358 
1 1 1    2   15   21 o  814.830   16.040  185.250   7.1911  208.121   12.139  172.886   8.9256  852.240   24.977  777.420   20.132 74.81989 32.08062 
1 1 1    2   15   23 o  499.836   12.544   70.825   3.5461   76.513   5.4480   66.644   4.6711  517.010   18.478  482.663   16.970 34.34756 25.08801 
1 1 1    2   15   25 o  768.995   12.464  169.417   5.4517  169.044   7.4424  169.849   8.0085  768.214   16.988  769.776   18.243 -1.561462 24.92765 
1 1 1    2   15   27 o  145.485   35.795   5.8231   3.8678   1.3374   6.3930   8.4130   4.8577  125.561   52.741  165.410   48.410 -39.84973 71.59040 
1 1 1    2   15   29 o  152.876   36.289   7.2242   3.7155   6.7797   5.7575   7.5414   4.8638  150.967   53.461  154.786   49.088 -3.819397 72.57880 
1 1 1    2   15   31 o  102.147   30.505  -0.5946   3.4259  -5.9231   4.9347   4.3631   4.7600   78.754   37.821  125.539   47.873 -46.78453 61.01010 
1 1 1    2   15   33 o   86.920   26.341  -0.4182   2.5281   2.9844   3.6363  -3.6017   3.5173  105.531   41.410   68.310   32.566 37.22183 52.68135 
1 1 1    2   15   35 o   89.819   29.777  -1.3991   3.8418  -1.3027   5.5587  -1.4873   5.3157   90.913   42.608   88.725   41.609 2.188393 59.55437 
1 1 1    2   15   37 o  138.276   45.163   23.708   8.9078   31.792   12.035   13.914   13.247  160.141   69.878  116.411   57.234 43.72975 90.32520 
1 1 1    2   16    0 o   80.287   25.012   2.6513   1.6987   2.6513   1.6987   2.6513   1.6987   80.287   35.372   80.287   35.372 0.000000 0.000000 
1 1 1    2   16    2 o  771.275   30.208  170.804   13.287   0.0000   0.0000  170.804   13.287  ?   ?   771.275   30.208      ?      ? 
1 1 1    2   16    4 f  609.735   17.338  110.194   4.8019  100.468   10.532  112.747   5.3954  591.239   31.235  628.231   15.059 -36.99170 34.67543 
1 1 1    2   16    6 o  782.511   14.258  175.065   6.2804  176.348   9.7094  174.142   8.2353  784.747   21.695  780.276   18.507 4.471802 28.51675 
1 1 1    2   16    8 o  300.431   18.399   25.914   3.1515   25.297   4.4663   26.525   4.4475  296.842   26.383  304.019   25.652 -7.176971 36.79799 
1 1 1    2   16   10 o  310.804   18.693   27.736   3.3133   27.739   4.6941   27.734   4.6775  310.812   26.483  310.795   26.390 0.1739502E-01 37.38699 
1 1 1    2   16   12 o  176.549   23.643   11.885   1.9345   4.4754   3.8704   14.353   2.2335  129.051   43.937  224.048   17.480 -94.99785 47.28661 
1 1 1    2   16   14 o  321.582   19.915   29.767   3.6331   26.254   5.1339   33.290   5.1422  302.400   29.769  340.764   26.461 -38.36429 39.82944 
1 1 1    2   16   16 o  419.342   8.3791   50.659   1.9851   44.895   2.8945   55.777   2.7276  396.578   12.798  442.107   10.818 -45.52890 16.75815 
1 1 1    2   16   18 o  176.726   26.905   10.121   2.5076   6.5401   4.4792   11.756   3.0263  150.847   47.005  202.605   26.192 -51.75783 53.81009 
1 1 1    2   16   20 o  254.704   20.997   16.802   2.8408   23.909   5.3426   14.001   3.3543  288.413   32.482  220.994   26.615 67.41891 41.99316 
1 1 1    2   16   22 o  154.478   28.629   6.6596   2.5919   10.297   4.1227   4.2820   3.3331  184.981   40.226  123.974   40.749 61.00736 57.25900 
1 1 1    2   16   24 o  239.618   23.736   15.781   3.0237   24.517   4.9592   10.611   3.8149  291.312   29.851  187.924   36.913 103.3882 47.47290 
1 1 1    2   16   26 o  212.004   37.013   14.368   4.6223   8.8036   6.7229   19.356   6.3655  172.667   57.911  251.341   46.109 -78.67372 74.02514 
1 1 1    2   16   28 o  165.135   38.600   8.5602   4.4703   4.0730   7.1361   11.458   5.7350  142.016   57.246  188.253   51.794 -46.23630 77.19938 
1 1 1    2   16   30 o  220.609   42.420   14.013   4.4714   24.643   10.697   11.762   4.9220  252.962   71.162  188.257   46.192 64.70512 84.83920 
1 1 1    2   16   32 o   95.073   29.787   0.0138   3.1604   0.2961   4.9028  -0.1869   4.1340   99.616   43.994   90.529   40.168 9.086899 59.57359 
1 1 1    2   16   34 o  129.277   34.779   6.5149   3.6635   4.2841   5.8431   7.9599   4.7025  117.457   49.932  141.097   48.426 -23.64056 69.55781 
1 1 1    2   16   36 o   82.704   27.944  -2.6519   3.6961  -6.6634   4.9503   2.4017   5.5563   68.276   33.830   97.133   44.487 -28.85758 55.88834 
1 1 1    2   16   38 o   74.210   25.451  -1.8599   3.4083   3.1005   4.8698  -6.6229   4.7718   86.520   40.329   61.900   31.058 24.61916 50.90213 
1 1 1    2   17    1 o  484.257   12.970   67.430   3.3511   68.105   4.0852   66.042   5.8594  488.244   14.672  480.270   21.393 7.973511 25.94073 
1 1 1    2   17    3 o  273.004   19.402   22.979   2.5686   18.332   4.9485   24.693   3.0051  252.171   34.410  293.836   17.934 -41.66536 38.80302 
1 1 1    2   17    5 o  1119.89   18.874  356.637   11.392  370.665   19.807  349.704   13.926  1134.98   30.602  1104.81   22.102 30.16638 37.74878 
1 1 1    2   17    7 o  766.003   14.422  167.454   6.2124  164.762   8.1060  171.286   9.6711  758.814   18.732  773.192   21.933 -14.37762 28.84307 
1 1 1    2   17    9 o  713.722   14.399  146.042   5.7395  146.868   7.4148  144.807   9.0656  716.537   18.146  710.906   22.361 5.631409 28.79703 
1 1 1    2   17   11 o  225.130   17.632   14.256   1.7491   14.100   1.9300   14.971   4.1373  222.144   15.235  228.117   31.803 -5.973099 35.26370 
1 1 1    2   17   13 o  787.180   14.077  177.036   6.0471  176.575   7.5244  177.877   10.162  786.079   16.785  788.281   22.604 -2.202454 28.15458 
1 1 1    2   17   15 o  737.036   16.404  155.483   6.8921  160.732   9.7546  150.251   9.7391  749.502   22.821  724.570   23.569 24.93164 32.80745 
1 1 1    2   17   17 o  709.042   22.090  143.799   8.9324  143.799   8.9324   0.0000   0.0000  709.042   22.090  ?   ?       ?      ? 
1 1 1    2   17   19 o  342.438   18.072   33.643   3.4252   33.779   4.3537   33.422   5.5487  343.553   22.221  341.323   28.506 2.229401 36.14367 
1 1 1    2   17   21 o  248.549   20.930   18.505   2.7441   19.951   3.3807   15.711   4.6982  263.838   22.469  233.261   35.318 30.57684 41.85955 
1 1 1    2   17   23 o  503.960   14.640   73.775   4.0457   76.405   5.1185   69.397   6.6045  516.531   17.376  491.389   23.568 25.14151 29.28092 
1 1 1    2   17   25 o  602.782   16.217  107.336   5.2278   96.845   8.8830  112.895   6.4662  578.458   26.928  627.106   18.081 -48.64697 32.43460 
1 1 1    2   17   27 o  108.576   28.869  -0.2390   3.0559  -6.7638   4.2796   6.5487   4.3650   70.582   34.221  146.569   46.505 -75.98698 57.73861 
1 1 1    2   17   29 o  220.079   27.750   12.188   3.1347   7.5908   3.6479   25.164   6.1290  153.655   40.905  286.503   37.512 -132.8481 55.50079 
1 1 1    2   17   31 o  127.617   36.619   4.2468   3.8066   4.0630   7.5982   4.3084   4.3985  133.863   56.924  121.371   46.082 12.49178 73.23875 
1 1 1    2   17   33 o   84.682   27.549  -2.5755   3.0836   1.8371   4.8044  -5.6667   4.0211  102.723   44.491   66.641   32.503 36.08208 55.09848 
1 1 1    2   17   35 o  111.570   34.492   4.6517   3.8111   6.2070   7.6006   4.1293   4.4048  117.431   53.094  105.709   44.044 11.72189 68.98472 
1 1 1    2   17   37 o   86.415   43.803 -15.0855   4.6002  -4.8852   10.967 -17.2635   5.0676   86.415   43.803  ?   ?       ?      ? 
1 1 1    2   18    0 o  706.064   21.494  143.586   12.188  143.586   12.188  143.586   12.188  706.064   30.397  706.064   30.397 0.000000 0.000000 
1 1 1    2   18    2 o  641.722   18.396  117.669   6.3485  119.858   11.034  116.586   7.7620  645.461   29.976  637.984   21.334 7.476440 36.79247 
1 1 1    2   18    4 o  792.403   15.699  179.483   7.0944   0.0000   0.0000  179.483   7.0944  ?   ?   792.403   15.699      ?      ? 
1 1 1    2   18    6 o  730.188   15.626  152.764   6.5065  152.536   9.1336  152.998   9.2710  729.660   21.950  730.716   22.248 -1.056335 31.25295 
1 1 1    2   18    8 o  264.495   16.873   20.546   2.1507   20.999   2.4703   19.126   4.3721  271.054   15.981  257.935   29.722 13.11932 33.74631 
1 1 1    2   18   10 o  327.362   19.275   30.828   3.5846   33.913   5.0671   27.737   5.0717  343.903   25.836  310.820   28.612 33.08267 38.55075 
1 1 1    2   18   12 o  197.609   19.258   9.6728   1.7965   14.071   4.1461   8.6561   1.9933  221.249   32.860  173.969   20.091 47.28012 38.51552 
1 1 1    2   18   14 o  554.466   17.135   87.997   5.4182   88.485   7.6625   87.508   7.6626  556.012   24.165  552.920   24.301 3.091980 34.27089 
1 1 1    2   18   18 o  503.819   21.168   71.832   4.9066   71.129   5.4904   74.619   10.935  498.760   19.303  508.877   37.679 -10.11658 42.33525 
1 1 1    2   18   20 o  238.468   15.486   16.367   2.0944   17.207   2.8641   15.402   3.0704  245.141   20.487  231.795   23.227 13.34651 30.97121 
1 1 1    2   18   22 o  231.998   24.990   14.732   3.1281   11.580   3.8681   20.690   5.3179  196.876   35.769  267.119   34.909 -70.24257 49.98098 
1 1 1    2   18   24 o  332.862   17.254   32.390   3.2160   25.610   4.5756   39.010   4.5212  297.544   26.965  368.181   21.533 -70.63651 34.50785 
1 1 1    2   18   26 o  134.193   35.482   2.9235   4.1893  -3.4065   6.1055   8.5553   5.7590  101.865   46.646  166.522   53.479 -64.65778 70.96371 
1 1 1    2   18   28 o  217.537   32.994   16.225   3.5285   12.890   7.1066   17.316   4.0649  193.739   59.009  241.334   29.535 -47.59476 65.98768 
1 1 1    2   18   30 f  140.225   37.239   6.2348   4.0314   6.1135   5.9354   6.3388   5.4927  140.046   53.445  140.404   51.870 -0.3583069 74.47773 
1 1 1    2   18   32 o  132.038   43.381   1.4283   7.6481   8.1339   12.190  -2.9253   9.8219  148.904   67.289  115.172   54.771 33.73239 86.76262 
1 1 1    2   18   34 o  126.870   39.258   6.9843   6.0497   12.395   7.6448  -2.0814   9.8954  148.423   59.454  105.318   51.283 43.10520 78.51586 
1 1 1    2   18   36 o   69.940   24.116  -3.0968   3.0528  -1.7842   4.6957  -4.0576   4.0177   75.293   36.344   64.588   31.707 10.70552 48.23118 
1 1 1    2   19    1 o  1247.51   19.332  447.471   12.956  445.766   22.437  448.323   15.869  1244.18   31.622  1250.84   22.246 -6.665894 38.66362 
1 1 1    2   19    3 f  581.909   16.530   93.946   4.0958  101.832   10.196   92.428   4.4726  595.004   30.047  568.814   13.788 26.19037 33.05915 
1 1 1    2   19    5 o  194.921   29.313   10.875   3.0173   13.221   5.2766   9.7350   3.6780  209.418   45.484  180.424   36.988 28.99414 58.62563 
1 1 1    2   19    7 o  366.092   14.728   38.366   2.6829   38.369   3.1107   38.356   5.3015  366.464   14.884  365.720   25.419 0.7445374 29.45625 
1 1 1    2   19    9 o  688.858   16.125  135.889   6.3329  139.322   8.9554  132.454   8.9568  697.599   22.511  680.118   23.093 17.48071 32.24906 
1 1 1    2   19   11 o  356.790   15.598   36.506   2.6291   36.570   2.9786   36.280   5.5935  357.848   14.596  355.731   27.572 2.116730 31.19690 
1 1 1    2   19   13 o  618.155   13.586  107.629   4.1533  106.070   4.7829  112.410   8.3751  609.539   13.759  626.772   23.431 -17.23370 27.17208 
1 1 1    2   19   17 o  178.485   43.184   8.3872   5.4077   11.397   7.6545   5.3883   7.6407  197.382   61.438  159.588   60.702 37.79330 86.36752 
1 1 1    2   19   19 o  345.879   13.084   33.156   2.5037   30.146   3.1230   38.570   4.1885  324.696   16.865  367.061   20.009 -42.36520 26.16890 
1 1 1    2   19   21 o  281.004   21.473   22.902   3.3038   23.178   4.1460   22.423   5.4685  283.834   25.614  278.173   34.472 5.661011 42.94604 
1 1 1    2   19   23 o  341.021   18.447   33.686   3.5767   31.008   5.0936   36.290   5.0237  327.411   27.280  354.631   24.840 -27.21991 36.89450 
1 1 1    2   19   25 o  307.657   27.537   28.693   4.7206   23.016   6.8944   33.703   6.4771  276.813   43.673  338.502   33.553 -61.68948 55.07399 
1 1 1    2   19   27 o  131.196   34.455   4.5318   3.2880   4.1387   4.0284   5.3163   5.6910  122.715   44.564  139.677   52.560 -16.96130 68.90946 
1 1 1    2   19   29 o  172.155   32.409   9.0035   3.0066   7.3679   3.5479   13.170   5.6628  149.665   40.557  194.646   50.560 -44.98119 64.81706 
1 1 1    2   19   31 o   86.032   28.968  -5.2427   3.5326  -7.8732   4.2938   0.2679   6.2147   64.960   32.061  107.104   48.256 -42.14396 57.93557 
1 1 1    2   19   33 o  122.596   41.156   3.8082   7.8117   1.0320   12.483   5.5952   10.015  119.761   58.151  125.433   58.256 -5.671944 82.31208 
1 1 1    2   19   35 o   90.332   31.519  -3.2854   5.5495  -8.6535   7.2417   4.3523   8.6380   76.937   38.554  103.727   49.872 -26.79012 63.03718 
1 1 1    2   20    0 o  502.344   14.696   72.463   5.9309   72.463   5.9309   72.463   5.9309  502.344   20.784  502.344   20.784 -0.000000 0.000000 
1 1 1    2   20    2 o  573.450   18.223   94.229   5.1245   94.511   10.354   94.138   5.8975  573.153   31.676  573.747   18.024 -0.5939331 36.44522 
1 1 1    2   20    4 o  368.247   12.679   39.137   2.6307   41.681   3.5329   35.971   3.9413  381.895   16.222  354.599   19.490 27.29626 25.35737 
1 1 1    2   20    6 o  403.190   17.614   42.541   2.6680   52.196   7.9486   41.315   2.8323  425.994   32.719  380.385   13.056 45.60919 35.22750 
1 1 1    2   20    8 o  511.839   14.190   73.650   3.7904   78.097   7.0342   71.830   4.4995  522.243   23.618  501.435   15.735 20.80759 28.37965 
1 1 1    2   20   10 o  508.522   10.713   73.872   3.1053   76.665   4.3957   71.088   4.3875  518.137   14.876  498.906   15.421 19.23062 21.42655 
1 1 1    2   20   12 o  213.028   16.925   12.939   2.0518   11.883   2.8123   14.140   3.0001  203.764   24.202  222.292   23.666 -18.52800 33.84934 
1 1 1    2   20   16 o  833.253   16.595  198.857   7.8840  201.279   11.072  196.365   11.229  838.448   23.155  828.059   23.779 10.38910 33.19062 
1 1 1    2   20   18 o  795.771   12.687  181.159   5.7570  180.264   8.1942  182.032   8.0901  793.806   18.101  797.736   17.783 -3.929626 25.37467 
1 1 1    2   20   20 o  662.384   16.654  127.393   6.0436  131.149   7.6244  121.045   9.9130  676.393   19.766  648.375   26.809 28.01721 33.30798 
1 1 1    2   20   22 o  221.586   23.388   14.273   2.9433   14.510   4.3800   14.078   3.9745  223.072   34.430  220.100   31.664 2.971603 46.77622 
1 1 1    2   20   24 o  156.518   28.901   7.7573   2.7130   10.147   3.6348   4.7519   4.0765  182.553   36.192  130.482   45.070 52.07109 57.80286 
1 1 1    2   20   26 o  233.346   39.175   18.411   5.2063   22.375   7.2007   14.068   7.5364  263.291   49.780  203.400   60.504 59.89073 78.35031 
1 1 1    2   20   28 o  179.195   39.246   11.414   4.4283   10.511   6.7809   12.086   5.8473  172.369   58.159  186.022   52.712 -13.65305 78.49185 
1 1 1    2   20   30 o  138.378   38.257   6.4912   4.3751   5.1529   7.1550   7.2905   5.5293  133.815   55.977  142.941   52.163 -9.125214 76.51396 
1 1 1    2   20   32 o  119.217   40.169   0.0693   7.8967  -9.6706   12.841   5.9923   10.014  108.497   53.884  129.938   59.589 -21.44059 80.33842 
1 1 1    2   20   34 o   78.844   27.241  -4.0266   4.0171  -5.1177   5.4724  -2.7515   5.9156   74.892   36.814   82.796   40.163 -7.903847 54.48285 
1 1 1    2   20   36 o   75.910   26.057  -2.0710   2.7745   6.3848   5.5382  -4.9042   3.2058   98.440   44.827   53.381   26.579 45.05822 52.11463 
1 1 1    2   21    1 o  1464.71   19.954  614.762   15.727  618.129   27.213  613.073   19.272  1466.20   32.546  1463.22   23.095 2.981934 39.90741 
1 1 1    2   21    3 o  761.201   18.062  164.119   6.8147  169.985   13.661  162.175   7.8628  769.222   31.142  753.180   18.306 16.04205 36.12336 
1 1 1    2   21    5 o  457.922   21.257   60.526   5.2155   59.230   9.0381   61.173   6.3861  453.685   34.933  462.159   24.230 -8.474060 42.51322 
1 1 1    2   21    7 o  712.146   19.586  143.379   7.5467  151.683   13.071  139.227   9.2427  726.839   31.534  697.453   23.238 29.38647 39.17156 
1 1 1    2   21    9 o  372.027   19.295   39.671   4.0918   38.373   5.7984   40.957   5.7749  365.934   27.785  378.120   26.781 -12.18552 38.59063 
1 1 1    2   21   11 o  612.552   19.273  103.573   6.0221  116.288   11.760   99.053   7.0111  636.518   32.396  588.585   20.888 47.93292 38.54601 
1 1 1    2   21   15 o  432.198   20.373   53.644   5.0170   56.359   7.1026   50.939   7.0875  443.189   28.102  421.207   29.506 21.98199 40.74672 
1 1 1    2   21   17 o  412.100   9.9080   48.379   2.3244   44.714   3.1975   52.486   3.3851  395.587   14.173  428.612   13.849 -33.02524 19.81590 
1 1 1    2   21   19 o  869.831   15.781  217.425   7.6246  218.153   9.7467  216.277   12.240  872.387   19.591  867.276   24.747 5.110962 31.56288 
1 1 1    2   21   21 o  269.480   26.265   19.710   3.7502   25.527   7.0183   17.386   4.4367  294.369   41.807  244.592   31.807 49.77721 52.53077 
1 1 1    2   21   23 o  211.288   31.466   14.616   3.5607   16.844   4.4149   10.470   6.0228  239.844   32.277  182.733   54.025 57.11098 62.93265 
1 1 1    2   21   25 o  304.031   23.092   26.417   3.8928   23.104   4.8615   32.339   6.4987  279.338   30.518  328.724   34.666 -49.38651 46.18474 
1 1 1    2   21   27 o   87.887   28.746  -5.5281   3.4915 -10.2779   4.5553   1.2357   5.4359   64.237   31.935  111.536   47.806 -47.29896 57.49121 
1 1 1    2   21   29 o   89.941   28.279  -0.2640   2.9065   0.0130   4.2607  -0.5050   3.9750   92.609   40.950   87.273   39.012 5.336609 56.55878 
1 1 1    2   21   31 o  142.852   46.397   8.7587   8.4660   12.892   13.284   5.9311   10.986  151.869   69.261  133.836   61.755 18.03273 92.79421 
1 1 1    2   21   33 o  107.576   34.909   2.5432   5.0103   9.5657   7.4523  -3.2492   6.7682  127.739   55.368   87.412   42.530 40.32708 69.81733 
1 1 1    2   21   35 o   95.928   31.332   4.6074   4.2076   7.8174   5.6369   0.5684   6.3230  107.500   47.340   84.356   41.058 23.14381 62.66454 
1 1 1    2   22    0 o  288.514   30.330   25.393   6.5983   25.393   6.5983   25.393   6.5983  288.514   42.892  288.514   42.892 0.000000 0.000000 
1 1 1    2   22    2 o  130.039   29.748   5.0084   2.5273   1.0081   5.1600   6.2709   2.8988  115.266   47.818  144.812   35.399 -29.54547 59.49541 
1 1 1    2   22    4 o  806.514   19.783  188.073   8.5454  181.667   14.773  191.294   10.476  795.351   32.569  817.677   22.466 -22.32629 39.56578 
1 1 1    2   22    6 o  496.355   21.481   71.089   5.7344   69.392   9.8581   71.957   7.0499  491.348   35.181  501.362   24.657 -10.01373 42.96140 
1 1 1    2   22    8 o  649.333   14.821  119.769   5.2789  123.423   8.8211  117.730   6.5889  656.763   23.552  641.902   17.999 14.86121 29.64207 
1 1 1    2   22   12 o  1332.71   33.262  510.407   25.280   0.0000   0.0000  510.407   25.280  ?   ?   1332.71   33.262      ?      ? 
1 1 1    2   22   14 o  622.186   17.963  111.074   6.3653  117.635   9.0052  104.522   8.9987  640.662   24.647  603.709   26.137 36.95294 35.92546 
1 1 1    2   22   16 o  932.609   14.425  249.137   7.6705  254.825   10.861  243.477   10.834  943.272   20.191  921.946   20.606 21.32629 28.84910 
1 1 1    2   22   18 o  1240.06   17.049  442.040   12.057  447.035   17.075  437.075   17.026  1247.09   24.009  1233.03   24.213 14.05505 34.09841 
1 1 1    2   22   20 o  385.582   20.185   41.678   4.0191   39.910   4.7201   46.338   7.6644  372.359   22.228  398.805   33.700 -26.44598 40.37003 
1 1 1    2   22   22 o  164.739   40.859   7.7637   4.7717   6.5549   6.8045   8.9334   6.6932  157.057   57.783  172.420   57.783 -15.36227 81.71735 
1 1 1    2   22   24 o  263.996   25.420   22.167   3.3866   11.871   4.7535   32.779   4.8261  193.219   44.110  334.772   25.278 -141.5530 50.84000 
1 1 1    2   22   26 o  214.591   27.156   14.792   3.1425   13.021   4.9278   16.006   4.0796  198.897   44.551  230.285   31.064 -31.38840 54.31173 
1 1 1    2   22   28 o  120.164   34.936   2.6587   4.0263   6.5519   5.8608  -0.8210   5.5408  140.203   53.203  100.125   45.295 40.07845 69.87289 
1 1 1    2   22   30 o  159.589   46.623   1.4354   8.3337   32.806   13.241 -19.1440   10.724  227.272   81.009   91.906   46.175 135.3660 93.24512 
1 1 1    2   22   32 o  106.835   30.374   3.9173   3.2883  -2.0582   5.5837   7.0902   4.0687   85.468   40.826  128.202   44.984 -42.73370 60.74816 
1 1 1    2   22   34 o  109.603   32.899   6.0991   4.8783   13.705   5.7874 -12.5689   9.0669  142.941   53.157   76.265   38.777 66.67591 65.79771 
1 1 1    2   23    1 o  1647.09   23.668  779.188   22.227  799.320   31.454  759.111   31.412  1668.49   33.057  1625.70   33.881 42.79114 47.33630 
1 1 1    2   23    3 o  1512.55   19.636  659.612   15.154  646.329   28.640  664.776   17.859  1500.25   33.475  1524.85   20.537 -24.60693 39.27275 
1 1 1    2   23    5 o  669.735   20.304  128.273   7.3211  129.441   12.668  127.687   8.9709  671.455   33.083  668.016   23.548 3.438782 40.60783 
1 1 1    2   23    7 o  668.727   23.806  128.488   9.0742  124.053   12.849  132.902   12.817  657.119   34.287  680.336   33.035 -23.21637 47.61177 
1 1 1    2   23   11 o  628.567   25.157  113.782   9.0060  121.190   12.798  106.517   12.675  649.003   34.579  608.130   36.548 40.87311 50.31385 
1 1 1    2   23   13 o  583.785   13.483   97.411   4.4868   94.695   6.2279  100.343   6.4696  575.340   18.981  592.231   19.155 -16.89081 26.96698 
1 1 1    2   23   15 o  835.821   16.309  199.415   7.7214  208.776   11.722  192.241   10.262  852.826   24.102  818.817   21.977 34.00903 32.61739 
1 1 1    2   23   17 o  550.499   17.815   90.517   5.1093   78.672   9.0105   96.131   6.2030  521.833   30.278  579.165   18.780 -57.33105 35.62929 
1 1 1    2   23   19 o  554.543   27.971   98.153   7.7765   72.020   13.762  110.412   9.4257  491.121   49.134  617.964   26.746 -126.8429 55.94216 
1 1 1    2   23   21 o  131.709   33.521   4.5720   3.2224   4.0212   4.6073   5.0996   4.5086  127.762   47.445  135.656   47.367 -7.893478 67.04269 
1 1 1    2   23   23 o  131.045   34.530   3.8426   3.9404  -3.6174   6.7529   7.6941   4.8521  105.900   48.701  156.190   48.964 -50.28977 69.06001 
1 1 1    2   23   25 o   88.187   29.511  -4.9073   3.4833  -1.6236   6.3774  -6.3035   4.1584  107.140   48.520   69.235   33.605 37.90542 59.02151 
1 1 1    2   23   27 o  179.871   29.026   11.082   2.9321   8.7163   4.3290   13.088   3.9855  158.478   45.505  201.264   36.047 -42.78529 58.05256 
1 1 1    2   23   29 o  148.247   47.408   9.2438   8.6967   5.6847   13.815   11.580   11.193  141.333   66.533  155.162   67.555 -13.82841 94.81693 
1 1 1    2   23   31 o   93.554   30.614   0.3833   3.8561   0.4505   5.5825   0.3220   5.3328   94.410   43.723   92.699   42.861 1.710358 61.22718 
1 1 1    2   23   33 o  120.554   30.911   8.0251   3.1073   9.2374   3.5756   4.2846   6.2806  142.688   41.469   98.420   45.850 44.26839 61.82156 
1 1 1    2   24    0 o  234.583   40.830   18.395   6.6885   18.395   6.6885   18.395   6.6885  234.583   57.742  234.583   57.742 -0.000000 0.000000 
1 1 1    2   24    2 o  940.083   18.614  253.202   8.6443  252.941   17.263  253.289   9.9864  938.719   32.248  941.447   18.600 -2.727905 37.22752 
1 1 1    2   24    4 o  1100.81   23.006  348.050   14.433  332.636   20.384  363.545   20.438  1076.20   33.213  1125.42   31.844 -49.21484 46.01273 
1 1 1    2   24    6 o  954.191   21.507  259.931   11.602  270.986   17.759  251.698   15.325  971.473   32.055  936.909   28.682 34.56396 43.01397 
1 1 1    2   24    8 o  348.495   43.666   35.115   8.6784   0.0000   0.0000   35.115   8.6784  ?   ?   348.495   43.666      ?      ? 
1 1 1    2   24   10 o  931.518   16.733  248.789   8.8744  266.229   12.584  231.532   12.517  964.164   22.886  898.873   24.418 65.29120 33.46663 
1 1 1    2   24   12 o  261.274   15.213   18.992   2.2219   16.905   2.8219   22.397   3.6042  242.992   20.364  279.555   22.607 -36.56271 30.42633 
1 1 1    2   24   14 o  368.143   20.367   37.873   4.0491   42.684   7.1314   35.584   4.9189  384.351   32.535  351.935   24.508 32.41589 40.73322 
1 1 1    2   24   16 o  640.359   19.097  118.216   6.9722  121.683   9.8783  114.774   9.8421  649.805   26.657  630.913   27.354 18.89209 38.19475 
1 1 1    2   24   18 o  573.709   20.283   95.464   6.6310   91.534   9.3999   99.356   9.3555  561.732   29.343  585.686   28.010 -23.95355 40.56529 
1 1 1    2   24   20 o   87.650   29.269  -6.5544   3.6232  -1.8766   6.0635  -9.1523   4.5187  107.658   48.150   67.642   33.289 40.01658 58.53705 
1 1 1    2   24   22 o  219.178   41.441   12.205   5.6151   30.007   10.077   4.1886   6.7622  298.839   61.188  139.517   55.906 159.3214 82.88219 
1 1 1    2   24   24 o  117.182   36.060   0.4625   4.5790   2.9536   6.5146  -1.9699   6.4373  127.955   53.459  106.410   48.408 21.54521 72.11936 
1 1 1    2   24   26 o  160.101   40.894   9.1505   4.6624   10.622   7.6939   8.2967   5.8613  167.303   61.459  152.899   53.962 14.40419 81.78735 
1 1 1    2   24   28 o  121.892   40.413  -0.3492   7.2522   3.9346   9.6670  -5.8638   10.968  130.820   59.438  112.963   54.772 17.85750 80.82616 
1 1 1    2   24   30 o   76.860   26.495  -5.2928   3.7732  -6.3186   5.4292  -4.3345   5.2475   75.189   36.901   78.531   38.031 -3.342201 52.99068 
1 1 1    2   24   32 o   85.870   29.078  -1.0862   4.0578  -5.3729   5.4827   4.1057   6.0339   72.319   35.792   99.422   45.837 -27.10315 58.15553 
1 1 1    2   25    1 o  826.770   20.771  196.633   9.4932  193.876   15.394  198.326   12.059  821.450   32.861  832.090   25.413 -10.64001 41.54099 
1 1 1    2   25    3 o  783.572   23.555  176.638   10.515  184.400   14.799  168.723   14.944  801.143   32.391  766.001   34.209 35.14258 47.11094 
1 1 1    2   25    5 o  884.940   32.197  225.059   16.249   0.0000   0.0000  225.059   16.249  ?   ?   884.940   32.197      ?      ? 
1 1 1    2   25    7 o  251.563   27.106   18.155   3.8887   0.0000   0.0000   18.155   3.8887  ?   ?   251.563   27.106      ?      ? 
1 1 1    2   25    9 o  697.984   15.954  141.339   6.1142  132.796   9.9487  146.525   7.7507  680.336   25.642  715.631   18.991 -35.29529 31.90890 
1 1 1    2   25   11 o  363.685   13.201   38.239   2.6400   39.362   3.3464   36.389   4.2961  371.023   15.815  356.347   21.140 14.67682 26.40143 
1 1 1    2   25   13 o  1242.27   17.727  443.729   12.514  443.197   16.992  444.359   18.499  1241.90   23.992  1242.64   26.104 -0.7462158 35.45491 
1 1 1    2   25   15 o  474.645   14.754   64.769   3.9885   66.806   5.5614   62.612   5.7234  482.441   20.214  466.849   21.497 15.59201 29.50811 
1 1 1    2   25   17 o  355.245   16.081   36.376   3.2550   36.339   4.7012   36.411   4.5113  354.990   23.222  355.500   22.252 -0.5095215 32.16235 
1 1 1    2   25   19 o  259.689   29.965   21.108   3.9464   22.184   4.7932   18.842   6.9534  275.298   30.530  244.079   51.569 31.21899 59.92923 
1 1 1    2   25   21 o  184.029   29.001   12.206   3.5197   0.7672   5.7559   19.038   4.4483  114.623   49.162  253.434   30.777 -138.8108 58.00172 
1 1 1    2   25   23 o   89.568   28.136  -0.7584   2.8639  -0.0560   4.2797  -1.3281   3.8541   95.096   41.578   84.040   37.920 11.05556 56.27266 
1 1 1    2   25   25 o  156.459   41.285   6.1168   4.1869   15.929   9.3051   3.6260   4.6883  195.141   68.053  117.777   46.762 77.36363 82.57100 
1 1 1    2   25   27 o  168.344   45.076   13.607   6.2810   15.559   7.3679   8.4157   12.015  188.663   60.479  148.026   66.857 40.63754 90.15298 
1 1 1    2   25   29 o  138.402   34.687   7.4863   4.0505   14.601   5.8118   0.7662   5.6482  179.476   53.073   97.329   44.678 82.14712 69.37444 
1 1 1    2   25   31 o  103.731   29.128   4.3294   3.2011  -3.4497   5.7034   7.9069   3.8678   78.220   38.270  129.243   43.922 -51.02309 58.25599 
1 1 1    2   26    0 o  1194.99   23.194  409.932   22.315  409.932   22.315  409.932   22.315  1194.99   32.801  1194.99   32.801 0.000000 0.000000 
1 1 1    2   26    2 o  692.461   21.229  137.251   8.3833  137.251   8.3833   0.0000   0.0000  692.461   21.229  ?   ?       ?      ? 
1 1 1    2   26    4 o  871.230   23.062  217.461   11.458   0.0000   0.0000  217.461   11.458  ?   ?   871.230   23.062      ?      ? 
1 1 1    2   26    6 o  637.586   35.808  117.348   13.020   0.0000   0.0000  117.348   13.020  ?   ?   637.586   35.808      ?      ? 
1 1 1    2   26    8 o  826.492   20.974  196.700   9.3235  196.486   16.117  196.807   11.430  824.841   34.262  828.143   24.202 -3.302307 41.94810 
1 1 1    2   26   10 o  712.535   17.912  146.091   7.2713  139.508   10.326  152.564   10.240  696.445   25.999  728.625   24.645 -32.17963 35.82365 
1 1 1    2   26   12 o  540.712   17.317   86.430   4.8716   78.216   8.7158   90.162   5.8750  520.485   29.363  560.940   18.365 -40.45538 34.63375 
1 1 1    2   26   14 o  233.605   20.537   15.620   2.6494   16.514   4.3770   15.104   3.3283  238.414   32.193  228.796   25.509 9.618317 41.07368 
1 1 1    2   26   16 o  215.860   32.211   14.792   3.4509   15.532   4.0065   12.666   6.7925  231.043   30.407  200.677   56.795 30.36629 64.42228 
1 1 1    2   26   18 o  265.888   20.259   20.961   3.0245   23.327   4.1059   18.154   4.4721  283.224   25.421  248.552   31.550 34.67249 40.51705 
1 1 1    2   26   20 o  116.871   34.026   2.1334   3.6647  -1.0653   6.4090   3.6873   4.4670  111.729   49.770  122.013   46.412 -10.28435 68.05261 
1 1 1    2   26   22 o  260.940   35.436   23.195   5.0893   15.726   7.2332   30.518   7.1622  209.838   58.336  312.043   40.247 -102.2048 70.87238 
1 1 1    2   26   24 o  209.687   46.039   17.817   6.9053   27.622   9.7077   7.7744   9.8245  264.120   64.911  155.254   65.306 108.8662 92.07809 
1 1 1    2   26   26 o  135.300   57.278   6.2442   7.6357   6.2442   7.6357   0.0000   0.0000  135.300   57.278  ?   ?       ?      ? 
1 1 1    2   26   28 o  130.181   36.559   7.5274   4.0607   7.0927   5.8746   7.9252   5.6192  127.464   51.743  132.899   51.663 -5.434479 73.11894 
1 1 1    2   26   30 f   80.722   27.796  -3.4393   4.0809  -7.0738   5.5685   0.7775   5.9980   70.647   35.152   90.796   43.069 -20.14968 55.59295 
1 1 1    2   26   32 o   74.153   25.676  -1.5008   3.4270   1.9478   5.5929  -3.5740   4.3363   83.401   40.107   64.906   32.069 18.49509 51.35183 
1 1 1    2   27    1 o  780.510   33.916  175.794   15.096   0.0000   0.0000  175.794   15.096  ?   ?   780.510   33.916      ?      ? 
1 1 1    2   27    3 o  608.787   14.485  105.921   5.0290   0.0000   0.0000  105.921   5.0290  ?   ?   608.787   14.485      ?      ? 
1 1 1    2   27    5 o  672.578   19.398  128.520   5.7179  132.649   13.550  127.626   6.3069  677.206   35.087  667.950   16.557 9.256042 38.79694 
1 1 1    2   27    7 o  392.478   13.703   46.137   2.7685   39.313   4.9587   49.228   3.3371  369.989   23.501  414.967   14.101 -44.97797 27.40689 
1 1 1    2   27    9 o  374.149   24.053   36.590   3.9497   47.131   9.8147   34.553   4.3145  401.359   42.880  346.939   21.807 54.42001 48.10613 
1 1 1    2   27   11 o  229.749   26.620   13.607   3.1770   20.046   6.2729   11.385   3.6846  261.389   42.081  198.108   32.613 63.28152 53.23913 
1 1 1    2   27   13 o  285.255   18.519   23.601   3.0013   22.319   4.3592   24.756   4.1382  277.664   27.529  292.846   24.779 -15.18164 37.03866 
1 1 1    2   27   15 o  105.817   31.978   0.3672   2.9275   1.5278   6.1183   0.0226   3.3339  124.116   51.828   87.519   37.473 36.59712 63.95565 
1 1 1    2   27   17 o  128.716   36.244   3.3077   3.9044   3.4307   4.9297   3.1005   6.3956  124.660   48.409  132.773   53.955 -8.113358 72.48865 
1 1 1    2   27   19 o  135.042   34.252   5.1180   2.9697   5.1701   3.3473   4.9255   6.4359  129.471   40.682  140.614   55.115 -11.14302 68.50345 
1 1 1    2   27   21 o  127.483   33.023   4.5585   3.1362   6.2726   4.8012   3.2828   4.1420  140.376   48.888  114.590   44.408 25.78571 66.04620 
1 1 1    2   27   23 o  153.810   63.910   7.8411   9.2382   7.8411   9.2382   0.0000   0.0000  153.810   63.910  ?   ?       ?      ? 
1 1 1    2   27   27 o   94.362   29.743   1.2568   3.2743  -1.3404   5.6138   2.5959   4.0310   90.316   42.484   98.408   41.636 -8.091965 59.48500 
1 1 1    2   27   29 o  101.443   29.312   4.2356   2.9881  -0.6401   5.7625   6.0288   3.4946   86.310   41.296  116.576   41.611 -30.26522 58.62406 
1 1 1    2   27   31 o  112.084   32.799   6.8230   3.3483   14.753   5.8241   2.9080   4.0921  138.915   52.959   85.253   38.710 53.66257 65.59843 
1 1 1    2   28    2 o  116.788   51.651  -1.7820   6.7815   0.0000   0.0000  -1.7820   6.7815  ?   ?   116.788   51.651      ?      ? 
1 1 1    2   28    4 o  554.563   19.980   85.120   4.7414   94.144   11.770   83.372   5.1804  569.453   36.242  539.672   16.832 29.78156 39.96017 
1 1 1    2   28    6 o  405.907   25.350   47.457   5.0236   48.655   10.248   47.078   5.7637  407.326   44.115  404.488   24.986 2.838440 50.69973 
1 1 1    2   28    8 o  403.285   27.461   46.099   6.0418   52.349   10.415   42.929   7.4175  422.112   43.265  384.458   33.831 37.65366 54.92190 
1 1 1    2   28   10 o  115.845   29.175   1.2470   2.9507   7.2001   4.3077  -4.0154   4.0501  154.381   45.702   77.309   36.276 77.07238 58.34903 
1 1 1    2   28   12 o  455.661   13.365   60.069   3.3069   58.325   5.5646   61.021   4.1117  449.954   21.686  461.368   15.627 -11.41348 26.72962 
1 1 1    2   28   14 f  538.700   17.620   81.812   5.1027   91.302   9.0494   77.388   6.1786  559.601   28.356  517.800   20.924 41.80133 35.24022 
1 1 1    2   28   16 o  342.559   21.602   34.106   3.3714   35.513   7.5679   33.757   3.7657  343.428   38.641  341.691   19.325 1.736877 43.20374 
1 1 1    2   28   18 o  122.057   35.913   0.6617   4.4929   6.1365   6.3683  -4.7640   6.3397  146.813   55.519   97.302   45.570 49.51130 71.82656 
1 1 1    2   28   20 o  121.686   31.011   3.9413   2.8736   1.6226   3.9074   6.6724   4.2407  100.861   41.708  142.511   45.904 -41.65025 62.02208 
1 1 1    2   28   24 o  123.008   38.159   1.6707   4.7238  -1.8339   5.6046   10.268   8.7780   93.344   43.428  152.673   62.758 -59.32952 76.31846 
1 1 1    2   28   26 o  132.964   37.731   7.9806   4.4814   10.865   6.3741   5.1614   6.3019  148.266   55.658  117.662   50.958 30.60446 75.46215 
1 1 1    2   28   28 o   91.978   30.472   0.9822   4.1141   3.6607   5.5958  -2.1689   6.0695  100.087   45.377   83.870   40.684 16.21661 60.94444 
1 1 1    2   28   30 o   79.142   26.962   0.4476   3.3607  -0.2089   4.0483   1.9031   6.0278   73.171   34.899   85.114   41.107 -11.94322 53.92363 
1 1 1    2   29    1 o  467.322   40.629   63.897   10.828   0.0000   0.0000   63.897   10.828  ?   ?   467.322   40.629      ?      ? 
1 1 1    2   29    3 o  416.400   30.678   51.230   7.2258   58.442   10.208   43.987   10.230  446.850   40.058  385.950   46.476 60.89935 61.35691 
1 1 1    2   29    5 f  340.505   23.696   37.564   3.9814   43.520   4.8387   25.078   7.0060  389.026   21.810  291.985   42.074 97.04077 47.39105 
1 1 1    2   29    7 o  334.567   31.693   32.450   5.7665   35.656   9.9367   30.822   7.0808  345.029   50.500  324.105   38.309 20.92383 63.38672 
1 1 1    2   29    9 o  240.539   22.767   18.688   2.6018   13.669   4.7493   20.840   3.1100  211.922   40.778  269.155   20.261 -57.23273 45.53386 
1 1 1    2   29   11 o  228.834   35.356   16.498   4.7996   25.805   6.8503   7.5243   6.7267  294.657   40.766  163.010   57.779 131.6468 70.71278 
1 1 1    2   29   13 o  251.670   22.484   18.623   3.2235   17.966   4.4357   19.358   4.6926  247.054   31.483  256.285   32.107 -9.231049 44.96738 
1 1 1    2   29   15 o  510.690   14.399   75.631   4.1915   79.062   5.9940   72.348   5.8634  522.117   20.131  499.262   20.593 22.85501 28.79804 
1 1 1    2   29   17 o  229.829   33.109   18.116   3.8611   19.549   4.5975   14.687   7.1127  254.913   31.626  204.746   58.178 50.16704 66.21798 
1 1 1    2   29   19 o  162.005   30.511   9.0463   3.2793   2.9514   4.9232   13.907   4.3965  116.326   47.313  207.684   38.539 -91.35844 61.02273 
1 1 1    2   29   23 o  140.142   35.285   8.0209   3.6340   1.2338   9.3813   9.2191   3.9418  121.055   56.275  159.229   42.582 -38.17388 70.57024 
1 1 1    2   29   25 o  110.399   32.746   2.1606   3.3085  -0.9568   3.9296   9.7508   6.1317   79.216   36.685  141.581   54.252 -62.36532 65.49129 
1 1 1    2   29   27 f  109.378   32.541   5.7448   3.6655   7.4588   4.5525   2.5857   6.1806  121.679   46.718   97.077   45.311 24.60226 65.08222 
1 1 1    2   29   29 f  109.036   31.543   6.8895   2.9317   9.2005   5.8760   6.1236   3.3828  109.632   48.303  108.440   40.578 1.191460 63.08574 
1 1 1    2   30    0 o  517.995   20.172   77.829   8.3688   77.829   8.3688   77.829   8.3688  517.995   28.528  517.995   28.528 -0.000000 0.000000 
1 1 1    2   30    2 o  171.950   52.726   9.0002   5.6616   0.0000   0.0000   9.0002   5.6616  ?   ?   171.950   52.726      ?      ? 
1 1 1    2   30    4 o  412.694   32.467   51.046   7.5702   58.367   10.663   43.607   10.749  444.125   42.101  381.263   49.437 62.86243 64.93431 
1 1 1    2   30    6 o  170.804   29.756   11.521   3.5613  -9.6105   8.7294   15.741   3.9006  108.907   51.746  232.700   29.393 -123.7929 59.51170 
1 1 1    2   30    8 o  133.141   36.677   4.1023   3.6016  -1.1204   8.6161   5.2081   3.9646  132.157   58.346  134.125   44.459 -1.967880 73.35423 
1 1 1    2   30   10 o  184.218   35.050   9.3749   3.7986   5.4891   4.6923   16.764   6.4705  138.887   48.333  229.548   50.774 -90.66113 70.10014 
1 1 1    2   30   12 o  162.672   37.875   7.1882   4.6234   13.789   6.5585   0.6674   6.5186  204.569   55.019  120.775   52.066 83.79411 75.74989 
1 1 1    2   30   14 o  273.516   30.857   26.198   3.9903   17.573   7.1929   30.032   4.7960  227.790   55.809  319.241   26.343 -91.45116 61.71400 
1 1 1    2   30   16 o  128.691   31.106  -2.6742   3.5458   13.360   6.2503 -10.2829   4.3057  195.901   54.143   61.481   30.643 134.4196 62.21241 
1 1 1    2   30   18 o  115.383   34.274   0.9471   3.7405  -1.7815   4.5998   6.2740   6.4269   88.788   40.595  141.977   55.234 -53.18817 68.54800 
1 1 1    2   30   22 o  173.435   36.203   11.330   3.5654   14.750   6.6566   9.9541   4.2221  183.622   57.316  163.248   44.245 20.37352 72.40681 
1 1 1    2   30   24 o  126.194   30.271   6.2229   2.9400   9.8574   4.0608   2.2190   4.2621  156.194   43.811   96.194   41.784 60.00033 60.54162 
1 1 1    2   30   26 o  115.850   29.419   5.4504   2.8856   0.8757   4.0151   10.338   4.1499   82.754   37.870  148.945   45.032 -66.19111 58.83893 
1 1 1    2   30   28 o   81.658   27.293   1.2325   3.5537   3.7646   4.3676  -3.7278   6.1128   89.585   40.399   73.730   36.709 15.85420 54.58646 
1 1 1    2   31    1 o  150.484   40.600   5.4826   4.6673   4.6195   8.1833   5.8987   5.6821  153.508   61.505  147.460   53.014 6.047791 81.19933 
1 1 1    2   31    3 o  198.180   34.728   13.162   2.8273   9.2000   8.5982   13.643   2.9937  179.323   65.108  217.037   24.187 -37.71417 69.45519 
1 1 1    2   31    5 o  306.448   36.567   32.714   4.9342   23.179   10.172   35.649   5.6425  263.372   67.434  349.525   28.308 -86.15329 73.13454 
1 1 1    2   31    7 o  184.894   35.795   4.9253   3.3506   23.454   8.7259   1.7210   3.6288  267.841   58.743  101.948   40.918 165.8931 71.58939 
1 1 1    2   31    9 o  135.846   39.186   2.6050   3.9272   6.9124   8.9019   1.5641   4.3761  164.275   64.685  107.416   44.251 56.85900 78.37260 
1 1 1    2   31   11 o  211.168   44.747   14.943   5.5746   17.653   9.6507   13.585   6.8291  221.955   68.969  200.380   57.030 21.57439 89.49370 
1 1 1    2   31   13 o  175.955   34.675   10.804   3.5427   11.927   4.2030   8.0493   6.5840  193.505   39.425  158.404   57.054 35.10112 69.35041 
1 1 1    2   31   15 o   85.712   27.837  -2.1694   3.1023  -1.9987   4.4930  -2.3250   4.2889   87.486   40.045   83.938   38.679 3.548126 55.67426 
1 1 1    2   31   17 o  136.166   32.234   5.2310   3.4647   10.810   4.8926  -0.3804   4.9069  175.222   47.687   97.109   43.382 78.11304 64.46733 
1 1 1    2   31   21 o  118.022   34.359   4.2756   3.4671   6.5111   6.3404   3.3220   4.1411  129.730   53.333  106.314   43.334 23.41526 68.71851 
1 1 1    2   31   23 o  100.874   32.207  -0.0724   4.3295   7.3499   6.1350  -7.4366   6.1109  124.784   51.984   76.965   38.035 47.81910 64.41329 
1 1 1    2   31   25 f  101.297   32.745   4.0068   4.3090   0.8972   6.0383   7.2335   6.1509   90.176   42.902  112.419   49.480 -22.24291 65.48934 
1 1 1    2   31   27 o   69.905   24.542  -3.6041   3.6662  -3.6865   4.7100  -3.4775   5.8397   67.078   33.194   72.733   36.158 -5.654999 49.08401 
1 1 1    2   32    0 f  249.211   36.112   20.417   6.4153   20.417   6.4153   20.417   6.4153  249.211   51.070  249.211   51.070 -0.000000 0.000000 
1 1 1    2   32    2 o  275.280   25.326   22.105   3.9759   0.0000   0.0000   22.105   3.9759  ?   ?   275.280   25.326      ?      ? 
1 1 1    2   32    4 o  121.492   36.073   1.1753   4.4667  -7.0666   8.2696   4.5703   5.3075  108.944   51.343  134.040   50.686 -25.09594 72.14684 
1 1 1    2   32    6 o  309.153   28.776   25.477   3.5068   34.718   9.9524   24.167   3.7471  330.280   52.839  288.025   22.812 42.25522 57.55280 
1 1 1    2   32    8 o  534.131   25.680   84.853   7.4118   91.323   12.863   81.636   9.0688  544.409   41.429  523.854   30.356 20.55579 51.36039 
1 1 1    2   32   10 o  420.827   30.260   56.625   6.7234   51.847   11.594   59.045   8.2527  399.260   50.919  442.395   32.711 -43.13483 60.52100 
1 1 1    2   32   12 o  114.295   33.457   1.1698   3.9802  -5.4751   6.3909   5.3802   5.0872   94.205   44.620  134.385   49.865 -40.17973 66.91356 
1 1 1    2   32   14 f  340.151   27.776   36.918   5.3771   39.380   7.6078   34.461   7.6010  352.813   37.811  327.488   40.699 25.32471 55.55265 
1 1 1    2   32   18 o  215.625   71.903   23.689   10.364   0.0000   0.0000   23.689   10.364  ?   ?   215.625   71.903      ?      ? 
1 1 1    2   32   20 o  217.405   33.889   19.747   4.8573   33.005   6.9621   7.1730   6.7800  303.947   40.165  130.864   54.594 173.0829 67.77727 
1 1 1    2   32   22 o  181.551   37.937   17.004   4.7725   9.7961   6.7960   24.018   6.7036  132.977   54.998  230.124   52.271 -97.14719 75.87478 
1 1 1    2   32   24 o  111.704   29.864   5.8851   2.9204   2.2485   4.3903   8.7714   3.9113   88.837   40.242  134.571   44.137 -45.73409 59.72894 
1 1 1    2   33    1 o  180.596   33.378   10.375   3.2497   11.166   6.0605   10.056   3.8500  182.721   54.235  178.472   38.923 4.249466 66.75687 
1 1 1    2   33    3 o  282.621   39.921   24.555   6.4342   0.0000   0.0000   24.555   6.4342  ?   ?   282.621   39.921      ?      ? 
1 1 1    2   33    5 o  206.610   38.410   10.590   3.8352   23.620   9.0507   7.7386   4.2341  258.759   62.119  154.461   45.194 104.2982 76.81994 
1 1 1    2   33    7 o  114.177   27.523   1.3102   2.5657   8.3004   4.1851  -2.8989   3.2475  159.074   44.427   69.281   32.500 89.79393 55.04576 
1 1 1    2   33    9 o  172.665   38.325   8.6437   3.0743   12.956   9.1573   8.0959   3.2638  186.421   67.267  158.909   36.748 27.51123 76.64970 
1 1 1    2   33   11 o  198.440   42.533   15.627   5.4778   10.373   9.4409   18.294   6.7258  169.443   66.648  227.436   52.860 -57.99295 85.06519 
1 1 1    2   33   13 o  237.088   37.403   20.520   3.9596   19.708   9.5311   20.690   4.3530  214.428   68.792  259.749   29.386 -45.32072 74.80573 
1 1 1    2   33   17 o  117.593   37.348   0.5657   4.5558   9.9025   8.9960  -2.6549   5.2834  147.911   62.369   87.275   41.103 60.63596 74.69508 
1 1 1    2   33   19 o  139.506   31.134   7.0921   3.2924   1.4106   4.5044   13.609   4.8242   94.581   41.950  184.430   46.017 -89.84883 62.26820 
1 1 1    2   33   21 o   89.909   28.195   1.4749   2.8855  -0.2329   3.8527   3.6569   4.3547   79.000   36.493  100.817   42.988 -21.81736 56.38939 
1 1 1    2   33   23 o   82.355   27.050   1.0447   3.0574   0.6505   4.5133   1.3790   4.1562   81.662   38.311   83.047   38.197 -1.385147 54.09930 
1 1 1    2   34    0 o  166.135   35.946   10.273   4.2090   10.273   4.2090   10.273   4.2090  166.135   50.835  166.135   50.835 0.000000 0.000000 
1 1 1    2   34    2 o  173.366   23.836   10.931   2.8601  -1.6967   4.4642   19.723   3.7250   88.875   40.385  257.857   25.331 -168.9819 47.67184 
1 1 1    2   34    4 o  140.395   43.933   6.4310   3.9082   0.0000   0.0000   6.4310   3.9082  ?   ?   140.395   43.933      ?      ? 
1 1 1    2   34    6 o  120.416   36.487   0.8479   3.3051   7.4402   8.4798  -0.3329   3.5889  155.302   62.473   85.530   37.714 69.77210 72.97363 
1 1 1    2   34    8 o  258.109   25.814   20.714   3.5683   14.322   4.7455   29.030   5.4129  208.210   41.423  308.008   30.816 -99.79761 51.62824 
1 1 1    2   34   10 o  191.468   34.261   11.680   3.4612   9.6585   4.0713   16.948   6.5734  168.314   42.428  214.623   53.807 -46.30966 68.52211 
1 1 1    2   34   12 o  125.237   39.756   1.4341   6.0358  -2.6454   8.5510   5.4850   8.5210  112.179   52.661  138.296   59.574 -26.11675 79.51282 
1 1 1    2   34   16 o  145.668   28.319   7.6002   2.6683   12.136   3.9239   3.6989   3.6393  184.713   38.499  106.623   41.541 78.08979 56.63742 
1 1 1    2   34   18 o  114.112   31.417   5.1582   2.9417   5.1468   4.1092   5.1701   4.2132  114.055   44.223  114.168   44.637 -0.1133118 62.83399 
1 1 1    2   34   20 f  108.390   31.041   5.1685   3.0475   6.5899   4.2307   3.6355   4.3936  118.013   45.102   98.768   42.662 19.24437 62.08238 
1 1 1    2   34   22 o   83.790   28.694   0.1212   4.2202   1.3068   6.0666  -0.9905   5.8745   86.830   41.760   80.749   39.362 6.080696 57.38704 
1 1 1    2   35    1 f  247.993   27.400   19.205   3.4609   18.327   4.1249   21.295   6.3611  245.252   29.492  250.735   46.188 -5.482773 54.80069 
1 1 1    2   35    3 o  157.231   35.340   8.2743   2.8288   7.6467   8.4774   8.3529   3.0008  152.997   62.140  161.464   33.678 -8.467331 70.68000 
1 1 1    2   35    5 o  252.693   45.285   21.727   6.2862   0.0000   0.0000   21.727   6.2862  ?   ?   252.693   45.285      ?      ? 
1 1 1    2   35    7 o  124.804   36.838   4.0045   4.0815   1.1171   8.6006   4.8438   4.6368  124.877   56.468  124.731   47.325 0.1459198 73.67698 
1 1 1    2   35    9 o  104.651   34.460  -3.2621   4.4300  -6.0780   5.2461   3.7359   8.2702   79.069   38.227  130.234   57.347 -51.16584 68.91987 
1 1 1    2   35   13 o  147.965   63.431   10.725   9.5731   0.0000   0.0000   10.725   9.5731  ?   ?   147.965   63.431      ?      ? 
1 1 1    2   35   15 o  188.582   35.833   14.983   3.7937   14.357   4.6102   16.294   6.6770  193.640   42.879  183.525   57.423 10.11491 71.66620 
1 1 1    2   35   17 o  161.113   35.389   10.794   3.2165   16.449   6.5325   8.9843   3.6955  174.451   57.033  147.776   41.915 26.67523 70.77885 
1 1 1    2   35   19 o   87.376   29.621   0.0169   4.2397   0.3056   6.0128  -0.2685   5.9789   88.192   42.193   86.559   41.586 1.632835 59.24160 
1 1 1    2   35   21 o   98.421   32.231   5.7199   4.4053   1.9513   6.2626   9.4113   6.1981   86.580   41.836  110.262   49.042 -23.68209 64.46175 
1 1 1    2   36    0 o  103.530   42.019   5.2124   5.5849   5.2124   5.5849   5.2124   5.5849  103.530   59.424  103.530   59.424 -0.000000 0.000000 
1 1 1    2   36    2 o   94.137   31.710  -5.0122   4.2409  -0.3340   7.4819  -7.2266   5.1477  112.910   51.680   75.365   36.761 37.54575 63.42060 
1 1 1    2   36    4 o  108.475   34.922   0.1322   4.4669  -0.2010   8.0323   0.2814   5.3747  115.484   53.110  101.465   45.360 14.01804 69.84427 
1 1 1    2   36    6 o  120.770   52.795   3.1310   6.8979   0.0000   0.0000   3.1310   6.8979  ?   ?   120.770   52.795      ?      ? 
1 1 1    2   36    8 o  165.221   38.613   10.469   3.6510   12.981   8.9255   9.9643   4.0011  164.103   64.722  166.340   42.132 -2.236252 77.22660 
1 1 1    2   36   10 f  122.883   56.058   3.7107   8.7092   0.0000   0.0000   3.7107   8.7092  ?   ?   122.883   56.058      ?      ? 
1 1 1    2   36   12 o  131.440   41.578   7.9661   6.3975   7.7165   8.9860   8.2226   9.1102  130.607   58.500  132.273   59.099 -1.666626 83.15646 
1 1 1    2   36   14 o  102.416   32.229   2.9269   3.6625   2.8316   4.4957   3.1149   6.3152   99.125   42.985  105.706   48.033 -6.580780 64.45849 
1 1 1    2   36   16 o   98.876   32.363   2.8531   4.3173   2.8828   6.1384   2.8241   6.0732   99.041   45.861   98.710   45.676 0.3310089 64.72631 
1 1 1    2   36   18 o  139.801   33.476   11.038   3.2403   11.317   6.4761   10.945   3.7424  123.841   52.605  155.761   41.415 -31.91992 66.95156 
1 1 1    2   37    1 o  202.718   39.425   19.033   5.0901   12.391   8.9510   22.207   6.1880  159.513   64.179  245.922   45.808 -86.40909 78.84970 
1 1 1    2   37    3 o   89.134   30.724  -8.0121   5.0156  -2.4549   7.3803 -12.7810   6.8369  101.430   48.015   76.838   38.347 24.59229 61.44860 
1 1 1    2   37    5 o  114.573   36.746   2.3296   5.2110   0.4033   8.2432   3.6117   6.7252  111.921   52.270  117.225   51.661 -5.303947 73.49137 
1 1 1    2   37    7 o  113.391   50.813   3.0957   6.7882   0.0000   0.0000   3.0957   6.7882  ?   ?   113.391   50.813      ?      ? 
1 1 1    2   37    9 f  146.096   52.575   9.8656   5.5897   0.0000   0.0000   9.8656   5.5897  ?   ?   146.096   52.575      ?      ? 
1 1 1    2   37   11 o   86.705   29.897  -4.2443   4.7369  -8.3186   8.2188  -2.2177   5.7966   86.831   43.121   86.578   41.422 0.2529831 59.79318 
1 1 1    2   37   13 o  125.116   38.795   9.5198   5.1811   11.219   8.8239   8.6258   6.4007  126.595   57.225  123.636   52.396 2.959381 77.58957 
1 1 1    2   37   15 o   87.195   29.056  -0.6596   3.3587   6.7770   6.0593  -3.9578   4.0353  109.019   48.489   65.372   32.028 43.64680 58.11186 
1 1 1    2   37   17 o   68.767   24.016  -3.5949   3.3657  -2.1801   4.1020  -6.5100   5.8880   68.251   33.185   69.283   34.726 -1.032555 48.03245 
1 1 1    2   38    0 o  112.510   48.274   8.2665   8.1340   8.2665   8.1340   8.2665   8.1340  112.510   68.270  112.510   68.270 0.000000 0.000000 
1 1 1    2   38    2 o  116.491   34.703   4.3117   4.5298   8.7317   5.5839  -4.1953   7.7467  138.411   52.068   94.570   45.894 43.84142 69.40689 
1 1 1    2   38    4 o  113.972   36.996   3.7603   5.4395   4.0089   8.3288   3.5754   7.1830  115.767   53.540  112.177   51.071 3.589233 73.99214 
1 1 1    2   38    6 o  160.832   53.893   12.701   5.8224   0.0000   0.0000   12.701   5.8224  ?   ?   160.832   53.893      ?      ? 
1 1 1    2   38    8 o  255.657   23.484   20.850   3.4239   0.0000   0.0000   20.850   3.4239  ?   ?   255.657   23.484      ?      ? 
1 1 1    2   38   10 o  156.386   29.395   13.718   3.5956   1.0358   9.0568   16.090   3.9175  100.742   49.057  212.030   32.398 -111.2881 58.78930 
1 1 1    2   38   12 o  112.741   35.762   8.0279   5.1750   2.6130   8.9164   10.778   6.3549   98.573   48.148  126.909   52.892 -28.33527 71.52481 
1 1 1    2   38   14 o   93.926   44.040  -1.9930   4.8421 -13.7042   8.3295   3.9845   5.9508  ?   ?    93.926   44.040      ?      ? 
1 1 1    2   39    1 o  322.703   43.191   54.232   7.7245   47.335   10.856   61.304   10.993  283.843   67.967  361.562   53.314 -77.71866 86.38228 
1 1 1    2   39    3 o  214.920   46.924   20.073   5.5900   0.0000   0.0000   20.073   5.5900  ?   ?   214.920   46.924      ?      ? 
1 1 1    2   39    5 o   76.232   37.019  -3.3108   5.0621   0.0000   0.0000  -3.3108   5.0621  ?   ?    76.232   37.019      ?      ? 
1 1 1    2   39    7 o   81.481   27.927  -2.7665   4.2222 -12.7451   8.0834   0.9776   4.9514   75.676   38.275   87.285   40.679 -11.60878 55.85436 
1 1 1    2   39    9 o   85.927   29.236  -0.0955   4.3027  -6.6950   8.3929   2.2574   5.0114   81.963   41.133   89.891   41.558 -7.928467 58.47264 
1 1 1    2   39   11 o   89.134   30.764   1.6214   4.9042   3.5319   8.3333   0.6092   6.0658   93.713   45.936   84.555   40.933 9.158005 61.52779 
1 1 1    2   39   13 o   77.690   27.957  -4.9545   3.7276   10.353   8.3070  -8.8138   4.1711  101.322   48.764   54.058   27.359 47.26377 55.91458 
1 1 1    2   40    0 o  149.786   54.957   18.819   8.5974   18.819   8.5974   18.819   8.5974  149.786   77.721  149.786   77.721 -0.000000 0.000000 
1 1 1    2   40    2 o   82.888   28.761  -1.9962   3.7555  -4.1562   4.3511   4.3134   7.4364   66.823   32.843   98.953   47.225 -32.12968 57.52272 
1 1 1    2   40    4 o   88.641   30.110   1.2739   4.4246  -0.4249   7.3399   2.2436   5.5455   87.436   42.910   89.847   42.251 -2.410904 60.21981 
1 1 1    2   40    6 o  101.206   33.737   5.7821   4.6242   10.885   8.7357   3.7956   5.4504  109.172   51.841   93.239   43.189 15.93288 67.47414 
1 1 1    2   40    8 o  105.031   46.238   7.3982   5.3735   0.0000   0.0000   7.3982   5.3735  ?   ?   105.031   46.238      ?      ? 
1 1 1    2   41    1 o   80.359   28.315  -1.9034   5.1680   2.7151   7.2907  -6.5676   7.3267   87.353   42.848   73.365   37.026 13.98747 56.62968 
1 1 1    3    0    1 o  150.332   16.845   6.9168   1.8889   6.9168   1.8889   6.9168   1.8889  150.332   23.823  150.332   23.823 0.000000 0.000000 
1 1 1    3    0    3 o  769.687   21.113  169.941   13.061  169.941   13.061  169.941   13.061  769.687   29.858  769.687   29.858 0.000000 0.000000 
1 1 1    3    0    5 o  1168.62   12.631  389.862   11.899  389.862   11.899  389.862   11.899  1168.62   17.863  1168.62   17.863 -0.000000 0.000000 
1 1 1    3    0    7 o  826.696   10.389  195.105   6.9219  195.105   6.9219  195.105   6.9219  826.696   14.692  826.696   14.692 -0.000000 0.000000 
1 1 1    3    0    9 o  1071.49   12.414  327.734   10.721  327.734   10.721  327.734   10.721  1071.49   17.556  1071.49   17.556 -0.000000 0.000000 
1 1 1    3    0   11 o  1750.19   11.668  873.940   16.466  873.940   16.466  873.940   16.466  1750.19   16.500  1750.19   16.500 0.000000 0.000000 
1 1 1    3    0   13 o   99.980   21.968   3.5693   1.5519   3.5693   1.5519   3.5693   1.5519   99.980   31.067   99.980   31.067 0.000000 0.000000 
1 1 1    3    0   15 o  400.578   10.893   45.990   3.5074   45.990   3.5074   45.990   3.5074  400.578   15.405  400.578   15.405 -0.000000 0.000000 
1 1 1    3    0   17 o  1277.03   11.072  465.749   11.399  465.749   11.399  465.749   11.399  1277.03   15.658  1277.03   15.658 0.000000 0.000000 
1 1 1    3    0   19 o   62.495   26.869   1.0150   2.5313   1.0150   2.5313   1.0150   2.5313   62.495   37.999   62.495   37.999 -0.000000 0.000000 
1 1 1    3    0   21 o  513.212   9.3822   75.305   3.8775   75.305   3.8775   75.305   3.8775  513.212   13.268  513.212   13.268 -0.000000 0.000000 
1 1 1    3    0   23 o  581.682   12.210   96.825   5.7167   96.825   5.7167   96.825   5.7167  581.682   17.268  581.682   17.268 -0.000000 0.000000 
1 1 1    3    0   25 o  1010.42   11.633  291.627   9.4743  291.627   9.4743  291.627   9.4743  1010.42   16.452  1010.42   16.452 -0.000000 0.000000 
1 1 1    3    0   27 o   80.206   35.676   0.9406   4.8475   0.9406   4.8475   0.9406   4.8475   80.206   50.454   80.206   50.454 0.000000 0.000000 
1 1 1    3    0   29 o   71.359   32.940  -0.4242   4.6412  -0.4242   4.6412  -0.4242   4.6412   71.359   46.584   71.359   46.584 -0.000000 0.000000 
1 1 1    3    0   31 o   98.123   38.759   3.9300   4.5821   3.9300   4.5821   3.9300   4.5821   98.123   54.813   98.123   54.813 0.000000 0.000000 
1 1 1    3    0   33 o   48.154   24.627  -9.2940   5.0217  -9.2940   5.0217  -9.2940   5.0217   48.154   34.829   48.154   34.829 -0.000000 0.000000 
1 1 1    3    0   35 o  191.773   43.458   14.463   5.9279   14.463   5.9279   14.463   5.9279  191.773   61.460  191.773   61.460 -0.000000 0.000000 
1 1 1    3    0   37 o   42.214   21.589  -6.7050   3.8588  -6.7050   3.8588  -6.7050   3.8588   42.214   30.532   42.214   30.532 -0.000000 0.000000 
1 1 1    3    0   39 o   75.881   31.417   2.9084   3.2208   2.9084   3.2208   2.9084   3.2208   75.881   44.430   75.881   44.430 -0.000000 0.000000 
1 1 1    3    0   41 o   91.454   36.773   5.9178   4.2227   5.9178   4.2227   5.9178   4.2227   91.454   52.006   91.454   52.006 0.000000 0.000000 
1 1 1    3    1    0 o  277.362   14.806   22.326   3.2687   22.326   3.2687   22.326   3.2687  277.362   20.939  277.362   20.939 0.000000 0.000000 
1 1 1    3    1    2 o  766.458   18.012  166.743   7.4431  164.406   9.1113  171.432   12.905  758.721   21.057  774.194   29.228 -15.47278 36.02378 
1 1 1    3    1    4 o  291.879   7.0439   23.992   1.1420   25.625   1.8634   23.010   1.4453  299.722   10.902  284.036   8.9226 15.68649 14.08776 
1 1 1    3    1    6 o  1199.40   11.657  410.318   7.8958  409.285   10.455  411.689   12.046  1197.70   15.306  1201.10   17.587 -3.396362 23.31474 
1 1 1    3    1    8 o  1390.36   13.467  549.794   10.103  546.026   12.398  557.241   17.430  1383.46   15.715  1397.27   21.873 -13.80798 26.93322 
1 1 1    3    1   10 o  541.130   9.2692   82.970   2.7865   85.941   4.5163   81.143   3.5408  548.881   14.428  533.379   11.641 15.50214 18.53840 
1 1 1    3    1   12 o  1055.34   15.184  317.976   9.1386  319.291   12.923  316.661   12.925  1057.53   21.428  1053.16   21.519 4.369263 30.36875 
1 1 1    3    1   14 o  544.006   9.2380   85.001   2.7000   82.807   4.6522   86.115   3.3155  538.605   15.146  549.408   10.582 -10.80322 18.47610 
1 1 1    3    1   16 o  262.142   9.5598   19.892   1.2339   19.088   2.4525   20.165   1.4277  258.449   16.639  265.835   9.4174 -7.385620 19.11953 
1 1 1    3    1   18 o  412.620   13.821   48.465   2.8768   48.161   3.3551   49.309   5.5902  410.553   14.330  414.687   23.638 -4.134583 27.64266 
1 1 1    3    1   20 o  617.210   14.539  109.421   4.9920  107.231   7.9511  110.846   6.4136  611.831   22.788  622.589   18.064 -10.75781 29.07885 
1 1 1    3    1   22 o  158.299   20.105   7.3355   1.7620   7.5548   2.3733   7.0661   2.6303  162.402   25.625  154.195   30.987 8.207108 40.20974 
1 1 1    3    1   24 o  768.289   11.973  168.626   5.2459  167.750   7.4324  169.496   7.4055  766.294   17.007  770.284   16.858 -3.989807 23.94676 
1 1 1    3    1   26 o  310.372   17.312   27.552   3.0289   27.243   3.9818   27.976   4.6662  308.428   22.638  312.316   26.198 -3.887177 34.62408 
1 1 1    3    1   28 o  501.060   19.216   72.207   5.4858   70.435   7.5637   74.174   7.9683  494.645   26.813  507.474   27.533 -12.82822 38.43210 
1 1 1    3    1   30 o   84.980   27.227  -2.8595   2.9381  -0.1707   4.1889  -5.4631   4.1220   96.862   41.748   73.098   34.961 23.76463 54.45346 
1 1 1    3    1   32 o  116.577   32.166   2.1404   3.3124   5.3527   4.6301  -1.2269   4.7406  136.917   47.991   96.237   42.842 40.67972 64.33118 
1 1 1    3    1   34 o  126.583   39.171   0.8190   5.4206   3.7097   7.9613  -1.6792   7.4011  138.707   58.590  114.458   52.006 24.24858 78.34162 
1 1 1    3    1   36 o   79.928   25.951  -3.2425   2.8278   1.1842   4.1864  -6.9574   3.8350   97.680   41.912   62.175   30.612 35.50462 51.90129 
1 1 1    3    1   38 o   86.142   26.527   1.0648   2.4403   0.4817   3.7421   1.4962   3.2188   85.143   37.971   87.141   37.053 -1.998306 53.05406 
1 1 1    3    1   40 o   74.299   24.563  -0.3237   2.5878   0.2737   3.4130  -1.1317   3.9689   75.249   34.612   73.348   34.863 1.900803 49.12611 
1 1 1    3    2    1 o  960.335   14.997  263.396   8.2134  262.521   11.615  264.272   11.616  958.736   21.243  961.934   21.175 -3.197693 29.99423 
1 1 1    3    2    3 o  993.708   21.362  282.415   12.106  282.273   17.121  282.558   17.119  993.456   30.220  993.959   30.200 -0.5032349 42.72369 
1 1 1    3    2    5 o  451.420   11.443   57.824   2.1158   58.613   5.4424   57.683   2.2965  453.116   21.062  449.724   8.9542 3.391907 22.88599 
1 1 1    3    2    7 o  1414.82   11.909  570.367   9.5193  565.666   12.605  576.604   14.522  1408.10   15.697  1421.54   17.913 -13.43542 23.81763 
1 1 1    3    2    9 o  1692.57   13.278  817.470   12.815  827.617   18.127  807.331   18.121  1703.08   18.664  1682.06   18.890 21.01563 26.55504 
1 1 1    3    2   11 o  1743.30   13.378  867.303   13.300  866.380   18.807  868.227   18.812  1742.38   18.927  1744.23   18.912 -1.858154 26.75583 
1 1 1    3    2   13 f  792.582   11.568  179.229   5.1980  179.922   7.7918  178.673   6.9777  793.920   17.209  791.243   15.464 2.677307 23.13620 
1 1 1    3    2   15 o  278.551   8.6420   21.310   1.0421   23.446   2.5524   20.883   1.1416  286.526   15.620  270.576   7.3984 15.94943 17.28391 
1 1 1    3    2   17 o  969.532   14.862  269.194   8.2160  273.643   11.580  264.685   11.659  977.646   20.770  961.417   21.264 16.22870 29.72462 
1 1 1    3    2   19 o  329.299   12.714   31.364   2.2883   29.763   3.7740   32.295   2.8776  322.425   20.525  336.173   15.010 -13.74823 25.42775 
1 1 1    3    2   21 o  278.373   13.195   22.177   2.0923   21.042   2.9686   23.297   2.9494  271.268   19.189  285.478   18.116 -14.20969 26.39006 
1 1 1    3    2   23 f  325.322   11.950   29.750   2.1927   27.180   2.8549   33.448   3.4239  308.482   16.228  342.163   17.547 -33.68073 23.90062 
1 1 1    3    2   25 o  877.291   11.518  220.704   5.7405  205.493   8.2858  234.744   7.9605  848.025   17.133  906.557   15.398 -58.53156 23.03522 
1 1 1    3    2   27 o  354.646   22.050   36.584   4.4125   41.528   6.1386   31.299   6.3471  379.996   28.327  329.296   33.799 50.69980 44.09931 
1 1 1    3    2   29 o  147.241   34.377   5.4068   3.6713   1.1271   5.1248   9.9185   5.2618  114.400   47.573  180.083   49.638 -65.68327 68.75433 
1 1 1    3    2   31 o   97.396   28.869   0.3042   2.7851  -1.6320   3.9648   2.1900   3.9130   86.081   38.686  108.712   42.860 -22.63101 57.73745 
1 1 1    3    2   33 o  161.923   36.808   8.4125   3.8632   9.7929   5.6887   7.2309   5.2630  172.197   52.860  151.650   51.237 20.54723 73.61698 
1 1 1    3    2   35 o  133.586   36.603   5.3034   3.9561   4.8778   5.2861   5.8453   5.9647  129.367   50.158  137.804   53.322 -8.437515 73.20601 
1 1 1    3    2   37 o  114.780   31.987   4.2167   3.0805   4.1883   4.3032   4.2466   4.4119  114.413   44.998  115.147   45.475 -0.7341614 63.97500 
1 1 1    3    2   39 o   95.472   28.905   2.5587   2.8459   4.4792   4.1672   0.8801   3.8960  106.222   43.403   84.722   38.186 21.49973 57.80968 
1 1 1    3    2   41 o   95.997   30.143   5.0579   3.3443   3.0682   4.6539   7.1827   4.8092   86.672   40.062  105.322   45.049 -18.65025 60.28609 
1 1 1    3    3    0 o  1970.47   16.939  1108.72   26.910  1108.72   26.910  1108.72   26.910  1970.47   23.955  1970.47   23.955 -0.000000 0.000000 
1 1 1    3    3    2 o  1483.84   19.403  627.963   15.482  633.649   26.862  625.134   18.946  1488.25   31.650  1479.43   22.456 8.822266 38.80687 
1 1 1    3    3    4 o  964.630   21.340  266.052   11.738  260.597   16.599  271.509   16.600  954.712   30.488  974.548   29.868 -19.83563 42.68012 
1 1 1    3    3    6 o  763.795   16.988  165.882   6.4464  165.170   7.4590  167.982   12.814  760.824   17.191  766.767   29.305 -5.942688 33.97504 
1 1 1    3    3    8 o  1416.76   11.979  572.853   9.5795  571.348   14.623  573.985   12.679  1415.07   18.120  1418.45   15.674 -3.376831 23.95836 
1 1 1    3    3   10 o  968.627   11.554  268.614   6.3091  274.181   8.3630  261.262   9.6115  980.358   14.958  956.896   17.613 23.46185 23.10782 
1 1 1    3    3   12 o  381.397   14.785   41.539   3.2151   40.498   4.5490   42.577   4.5446  376.618   21.180  386.175   20.636 -9.557098 29.57061 
1 1 1    3    3   14 o  972.939   10.649  270.129   5.9076  275.030   8.4659  265.477   8.2475  981.533   15.124  964.344   14.997 17.18860 21.29896 
1 1 1    3    3   16 o  369.711   8.5481   39.032   1.8010   39.306   2.5050   38.739   2.5912  371.064   11.838  368.358   12.335 2.706299 17.09611 
1 1 1    3    3   18 o  170.633   13.040   8.4581   1.2339   7.7336   1.9420   8.9486   1.5979  164.335   20.722  176.931   15.836 -12.59605 26.08024 
1 1 1    3    3   20 o  895.401   15.310  229.171   7.7833  225.815   10.489  233.284   11.610  888.271   20.706  902.532   22.558 -14.26117 30.62017 
1 1 1    3    3   22 o  387.713   11.149   43.618   2.3894   39.952   3.7958   46.023   3.0750  373.918   17.801  401.507   13.429 -27.58856 22.29831 
1 1 1    3    3   24 o  105.140   26.100   2.7840   1.8879   2.7773   2.3666   2.7956   3.1307  101.858   34.359  108.423   39.299 -6.565704 52.20094 
1 1 1    3    3   26 o  496.127   18.571   70.551   5.2459   69.606   7.1961   71.623   7.6635  492.656   25.613  499.598   26.898 -6.941467 37.14164 
1 1 1    3    3   28 o  341.564   18.972   31.941   3.6024   25.936   4.5325   42.241   5.9359  300.162   26.478  382.966   27.179 -82.80420 37.94450 
1 1 1    3    3   30 o  368.834   21.066   39.374   4.4233   36.740   6.0579   42.381   6.4737  355.653   29.868  382.015   29.715 -26.36163 42.13182 
1 1 1    3    3   32 o  116.750   31.943   2.1216   3.4468  -4.1672   5.6742   5.7993   4.3392   94.195   43.781  139.305   46.526 -45.11019 63.88639 
1 1 1    3    3   34 o   75.793   25.231  -3.5657   2.7937  -4.0538   3.7779  -2.9766   4.1500   71.524   34.001   80.061   37.289 -8.537048 50.46288 
1 1 1    3    3   36 o   88.154   29.203  -2.9835   3.6380  -3.7036   4.8181  -2.0284   5.5487   82.068   38.833   94.240   43.625 -12.17187 58.40551 
1 1 1    3    3   38 o  102.092   28.465   2.7537   2.7596   6.0333   3.7273  -1.2250   4.1054  124.151   43.084   80.034   37.213 44.11707 56.93016 
1 1 1    3    3   40 o   74.280   24.921  -1.4750   2.9392  -4.7143   4.2780   1.4212   4.0451   65.113   32.112   83.446   38.120 -18.33339 49.84283 
1 1 1    3    4    1 o  394.444   14.427   44.426   3.2448   43.531   4.5888   45.322   4.5890  390.463   20.607  398.426   20.196 -7.962646 28.85407 
1 1 1    3    4    3 o  186.705   10.019   9.3895   0.3225   9.3633   0.3261   10.545   2.1690  181.208   3.1555  192.201   19.788 -10.99278 20.03809 
1 1 1    3    4    5 o  304.357   14.957   26.463   2.5940   25.657   3.7041   27.238   3.6339  299.798   21.665  308.915   20.627 -9.116394 29.91394 
1 1 1    3    4    7 o  1006.89   11.399  290.382   6.4676  281.466   9.8607  297.113   8.5680  993.227   17.409  1020.55   14.721 -27.32257 22.79878 
1 1 1    3    4    9 o  880.604   11.358  222.175   5.6343  214.894   8.5941  227.663   7.4616  867.859   17.364  893.349   14.646 -25.49005 22.71609 
1 1 1    3    4   11 o  2603.14   17.107  1943.24   24.844  1975.63   32.118  1895.00   39.202  2630.68   21.408  2575.61   26.689 55.06982 34.21447 
1 1 1    3    4   13 o  1545.40   13.122  681.953   11.564  687.902   16.363  676.017   16.345  1552.14   18.486  1538.66   18.628 13.48267 26.24334 
1 1 1    3    4   15 o  222.725   14.575   14.454   1.4427   14.618   1.6047   13.762   3.2951  226.295   12.434  219.155   26.365 7.140198 29.14988 
1 1 1    3    4   17 o  415.833   9.5980   49.634   2.1564   50.155   2.6618   48.639   3.6785  419.145   11.136  412.520   15.636 6.625244 19.19600 
1 1 1    3    4   19 o  163.372   13.190   7.8919   1.1881   6.1413   1.7829   9.2902   1.5935  146.444   21.348  180.299   15.498 -33.85519 26.38045 
1 1 1    3    4   21 o  178.197   24.831   9.0141   2.3229   8.1045   2.8287   10.898   4.0704  165.330   31.144  191.063   38.684 -25.73294 49.66283 
1 1 1    3    4   23 o  773.929   12.297  171.167   5.3744  170.757   8.1866  171.478   7.1247  773.011   18.571  774.848   16.123 -1.836914 24.59337 
1 1 1    3    4   25 o  604.497   13.276  105.550   4.4974   98.015   6.8957  111.128   5.9330  585.360   20.657  623.634   16.682 -38.27454 26.55177 
1 1 1    3    4   27 o  249.093   23.441   18.079   3.2976   20.169   4.5587   15.786   4.7759  264.589   30.212  233.598   35.850 30.99104 46.88288 
1 1 1    3    4   29 o  154.709   33.640   7.1255   3.2551   7.1508   4.6921   7.1020   4.5194  155.143   48.071  154.274   47.073 0.8689270 67.28078 
1 1 1    3    4   31 o  262.305   37.691   21.522   5.3776   23.412   8.4204   20.219   6.9883  270.715   56.373  253.895   50.044 16.82060 75.38116 
1 1 1    3    4   33 o  166.763   25.355   7.3183   3.0795   18.415   4.5798  -1.8395   4.1605  247.705   32.420   85.820   38.993 161.8850 50.71038 
1 1 1    3    4   35 o  136.471   35.366   5.8423   3.4578   5.1750   4.2600   7.1310   5.9199  127.650   45.902  145.292   53.815 -17.64149 70.73251 
1 1 1    3    4   37 o   91.527   28.946   0.1678   3.0463   1.4622   4.7689  -0.7244   3.9593   99.854   43.768   83.201   37.894 16.65323 57.89261 
1 1 1    3    4   39 o   91.916   28.652   2.1870   2.9255   2.5563   4.2377   1.8507   4.0438   94.133   41.259   89.699   39.767 4.434830 57.30412 
1 1 1    3    4   41 o   79.749   26.845   1.1857   3.3612  -0.1990   4.7002   2.6349   4.8085   75.177   36.306   84.321   39.554 -9.144806 53.68995 
1 1 1    3    5    0 o   86.057   19.506   2.6740   1.1940   2.6740   1.1940   2.6740   1.1940   86.057   27.585   86.057   27.585 -0.000000 0.000000 
1 1 1    3    5    2 f  384.851   14.413   42.282   3.1630   43.015   4.4744   41.551   4.4720  388.186   20.212  381.516   20.554 6.670044 28.82678 
1 1 1    3    5    4 o  967.809   18.523  268.225   9.6070  265.439   16.701  269.603   11.745  963.769   30.387  971.848   21.191 -8.078796 37.04610 
1 1 1    3    5    6 o  547.786   14.737   85.653   4.6027   83.616   6.5115   87.687   6.5069  541.271   21.095  554.301   20.584 -13.02954 29.47371 
1 1 1    3    5    8 o  978.417   13.598  273.511   7.4385  274.932   9.6271  271.405   11.717  981.646   17.197  975.187   21.069 6.459717 27.19643 
1 1 1    3    5   10 o  1377.57   14.331  541.826   11.022  542.561   14.212  540.717   17.460  1378.88   18.073  1376.27   22.246 2.615479 28.66179 
1 1 1    3    5   12 o  209.005   10.683   12.836   1.0687   13.165   1.2247   11.786   2.1881  214.833   9.9964  203.177   18.884 11.65633 21.36689 
1 1 1    3    5   14 o  952.063   13.418  258.446   7.2137  262.987   11.045  255.068   9.5261  959.205   20.191  944.921   17.678 14.28455 26.83632 
1 1 1    3    5   16 o  388.905   12.078   43.687   2.6319   45.977   3.4700   40.586   4.0386  401.135   15.169  376.675   18.801 24.46030 24.15685 
1 1 1    3    5   18 o  490.838   10.979   68.858   3.0729   70.233   4.3622   67.504   4.3296  495.709   15.431  485.968   15.622 9.740417 21.95826 
1 1 1    3    5   20 o  411.363   11.314   47.595   2.4270   46.518   2.8805   50.228   4.5058  403.644   12.514  419.083   18.853 -15.43909 22.62789 
1 1 1    3    5   22 o  944.542   14.182  251.923   7.4000  242.954   9.2922  267.472   12.235  922.121   17.670  966.962   22.188 -44.84094 28.36434 
1 1 1    3    5   24 o  213.541   21.771   12.987   2.6401   12.037   3.5401   14.178   3.9627  204.827   30.307  222.255   31.264 -17.42731 43.54261 
1 1 1    3    5   26 o  116.805   30.340   3.1076   2.6198   2.6721   3.4133   3.7319   4.0868  109.580   40.809  124.029   44.909 -14.44868 60.68095 
1 1 1    3    5   28 o  316.362   21.736   28.972   3.9133   30.902   5.5092   27.008   5.5597  327.173   29.527  305.551   31.906 21.62228 43.47216 
1 1 1    3    5   30 o  428.668   19.311   53.815   4.6540   57.462   6.2235   49.188   7.0100  445.999   24.469  411.338   29.883 34.66110 38.62271 
1 1 1    3    5   32 o   93.018   31.498  -8.2057   4.7261  -6.0049   7.0251 -10.0253   6.3877  101.064   47.535   84.973   41.337 16.09097 62.99522 
1 1 1    3    5   34 o  121.308   32.416   3.9829   3.1059   5.2424   4.4129   2.7466   4.3722  130.645   46.746  111.972   44.923 18.67251 64.83252 
1 1 1    3    5   36 o  120.937   33.695   4.4081   3.3087   4.0676   4.1151   5.0307   5.5650  115.366   44.387  126.508   50.708 -11.14246 67.39097 
1 1 1    3    5   38 o   52.839   18.771  -8.7553   2.5105  -7.5161   3.4379 -10.1713   3.6749   54.038   27.002   51.640   26.081 2.397232 37.54124 
1 1 1    3    5   40 o   66.551   23.215  -4.5505   3.1723  -3.3654   4.4722  -5.7507   4.5005   69.134   33.838   63.967   31.791 5.166965 46.42951 
1 1 1    3    6    1 o  1882.27   16.750  1011.69   17.980  1012.34   25.428  1011.03   25.427  1882.88   23.681  1881.66   23.695 1.220703 33.50013 
1 1 1    3    6    3 o  1135.59   15.286  368.107   9.8994  368.144   14.003  368.070   13.997  1135.65   21.621  1135.53   21.615 0.1135254 30.57208 
1 1 1    3    6    5 o  882.154   18.482  223.258   8.7399  219.120   15.153  225.320   10.699  875.784   30.340  888.524   21.114 -12.73987 36.96391 
1 1 1    3    6    7 o  957.086   18.084  260.342   9.1465  258.394   11.008  264.686   16.439  951.556   20.285  962.615   29.945 -11.05847 36.16887 
1 1 1    3    6    9 o  1054.47   18.526  316.211   10.513  321.507   18.248  313.580   12.862  1060.79   30.164  1048.15   21.518 12.64514 37.05254 
1 1 1    3    6   11 o  1648.23   16.228  775.933   15.253  764.303   21.572  787.560   21.569  1635.85   23.123  1660.60   22.776 -24.74304 32.45664 
1 1 1    3    6   13 o  1083.86   15.354  335.800   9.4889  343.245   13.441  328.402   13.398  1095.86   21.507  1071.86   21.918 24.00427 30.70752 
1 1 1    3    6   15 o  201.909   11.231   11.989   1.2493   10.060   1.9414   13.352   1.6321  187.581   18.148  216.237   13.235 -28.65546 22.46159 
1 1 1    3    6   17 o  247.240   11.033   17.439   1.4990   17.599   2.4817   17.347   1.8808  248.050   17.544  246.429   13.383 1.621414 22.06562 
1 1 1    3    6   19 o  868.116   10.835  215.358   5.3636  213.398   7.6081  217.293   7.5627  864.177   15.438  872.055   15.207 -7.878113 21.66953 
1 1 1    3    6   21 f  930.530   12.849  246.772   6.8085  261.151   9.9634  234.174   9.3255  955.876   18.277  905.183   18.065 50.69250 25.69851 
1 1 1    3    6   23 o  826.278   11.899  194.991   5.5975  195.665   8.1605  194.391   7.6925  827.586   17.291  824.971   16.351 2.615234 23.79720 
1 1 1    3    6   25 o  597.710   15.794  101.649   5.3311  106.623   8.2107   98.024   7.0096  610.136   23.597  585.285   21.001 24.85150 31.58885 
1 1 1    3    6   27 o  224.725   21.826   14.723   2.5775   21.840   3.8718   9.0582   3.4542  275.718   24.624  173.732   36.045 101.9865 43.65277 
1 1 1    3    6   29 o  303.162   25.806   27.130   4.1700   27.628   5.0976   26.122   7.2501  308.807   28.946  297.516   42.731 11.29123 51.61174 
1 1 1    3    6   31 o  150.613   35.141   5.7197   4.2785  -3.1409   6.6880   11.858   5.5667  108.196   49.267  193.030   50.123 -84.83428 70.28216 
1 1 1    3    6   33 o  106.599   30.196   1.1124   2.9879   4.9176   4.4526  -2.0049   4.0301  129.917   46.901   83.280   38.046 46.63766 60.39231 
1 1 1    3    6   35 o  123.620   32.356   4.6020   3.0845   2.9949   4.3111   6.2874   4.4151  110.934   44.573  136.306   46.914 -25.37152 64.71230 
1 1 1    3    6   37 o   74.653   25.056  -3.1380   2.9144  -1.4590   3.7709  -5.6288   4.5928   77.537   35.918   71.769   34.945 5.767975 50.11247 
1 1 1    3    6   39 o   72.883   24.834  -2.5978   3.0426  -3.4352   4.7648  -2.0212   3.9537   73.799   35.856   71.967   34.370 1.832336 49.66838 
1 1 1    3    7    0 o  657.478   14.708  123.689   7.7815  123.689   7.7815  123.689   7.7815  657.478   20.801  657.478   20.801 0.000000 0.000000 
1 1 1    3    7    2 o  775.922   14.715  171.837   6.5109  174.211   9.2104  169.466   9.2052  781.283   20.672  770.561   20.947 10.72186 29.42985 
1 1 1    3    7    4 o  682.676   17.819  132.236   6.5447  135.535   11.388  130.609   7.9972  688.853   28.990  676.498   20.729 12.35547 35.63850 
1 1 1    3    7    6 o  639.667   14.818  116.792   5.4046  114.156   7.6482  119.421   7.6382  632.451   21.205  646.884   20.705 -14.43353 29.63689 
1 1 1    3    7    8 o  911.082   30.137  237.151   15.659  237.151   15.659   0.0000   0.0000  911.082   30.137  ?   ?       ?      ? 
1 1 1    3    7   10 o  883.292   18.602  229.613   8.7388  243.150   10.771  203.534   14.949  922.881   20.465  843.703   31.070 79.17816 37.20383 
1 1 1    3    7   12 o  500.329   12.603   70.965   3.2700   72.726   6.0866   70.251   3.8770  504.511   21.155  496.147   13.702 8.364166 25.20502 
1 1 1    3    7   14 o  443.255   12.607   56.153   3.1867   56.180   4.5087   56.126   4.5048  443.361   17.832  443.150   17.825 0.2103271 25.21336 
1 1 1    3    7   16 o  636.270   9.6981  115.700   3.4572  115.923   4.4907  115.375   5.4169  637.133   12.359  635.407   14.949 1.726624 19.39618 
1 1 1    3    7   18 o  414.285   11.337   49.089   2.6734   45.323   3.7595   52.941   3.8025  398.168   16.557  430.402   15.492 -32.23474 22.67416 
1 1 1    3    7   20 f  216.617   15.458   14.077   1.8074   10.999   2.8712   16.096   2.3261  195.911   25.699  237.324   17.186 -41.41304 30.91608 
1 1 1    3    7   22 o  718.100   15.412  147.380   6.1941  146.957   8.0180  148.005   9.7545  717.029   19.608  719.170   23.784 -2.140625 30.82457 
1 1 1    3    7   24 o  1085.16   20.167  348.972   11.629  305.008   19.829  372.021   14.357  1030.07   33.754  1140.25   22.079 -110.1752 40.33420 
1 1 1    3    7   26 o  389.501   14.062   41.928   2.8295   40.016   3.3199   47.003   5.4091  374.145   15.560  404.858   23.428 -30.71259 28.12401 
1 1 1    3    7   28 o   91.249   27.990  -1.2840   2.9023   1.5861   3.7378  -5.6421   4.6059  103.590   41.545   78.908   37.520 24.68211 55.97990 
1 1 1    3    7   30 o  308.170   35.090   29.804   5.8174   24.703   8.8673   33.658   7.7080  279.198   57.602  337.141   40.090 -57.94302 70.18000 
1 1 1    3    7   32 o  127.894   34.001   3.7115   3.5639   6.8111   5.0152   0.5493   5.0655  148.497   50.017  107.292   46.072 41.20555 68.00229 
1 1 1    3    7   34 o  110.470   32.408   2.1688   3.3750   3.1200   4.5098   0.9579   5.0883  114.691   45.760  106.249   45.902 8.441994 64.81538 
1 1 1    3    7   36 o  107.402   31.855   2.1956   3.3951  -0.2391   4.7390   4.7629   4.8663   93.350   42.091  121.454   47.825 -28.10471 63.70942 
1 1 1    3    7   38 o  111.250   32.573   3.7190   3.3877   0.6802   4.2750   8.8484   5.5541   87.671   39.713  134.829   51.641 -47.15804 65.14535 
1 1 1    3    7   40 f   80.814   27.071   0.5334   3.3605   2.2754   4.7131  -1.2680   4.7927   86.354   40.057   75.273   36.427 11.08170 54.14269 
1 1 1    3    8    1 o  3126.65   20.335  2792.19   36.258  2793.88   51.281  2790.49   51.274  3127.60   28.751  3125.70   28.764 1.898682 40.66934 
1 1 1    3    8    3 o  1038.86   18.524  308.434   10.349  307.294   17.897  309.006   12.685  1037.19   30.258  1040.54   21.377 -3.350708 37.04705 
1 1 1    3    8    5 o  1475.58   19.613  624.053   15.528  615.077   26.903  628.537   19.015  1467.21   32.153  1483.95   22.469 -16.73828 39.22529 
1 1 1    3    8    7 o  575.302   16.270   93.609   4.2687   93.035   4.7650   95.942   9.6064  571.072   14.631  579.533   29.066 -8.460754 32.54091 
1 1 1    3    8   11 o  854.950   16.188  209.281   7.8130  205.883   11.874  211.876   10.375  848.681   24.534  861.219   21.125 -12.53809 32.37549 
1 1 1    3    8   13 o  685.037   10.273  133.816   3.9730  132.731   5.2489  135.270   6.0794  681.858   13.498  688.217   15.490 -6.358887 20.54608 
1 1 1    3    8   15 o  434.060   9.3253   53.225   2.1621   52.173   2.6191   55.474   3.8309  427.522   10.742  440.599   15.246 -13.07617 18.65057 
1 1 1    3    8   17 o  121.688   17.754   4.4772   1.2543   7.2854   1.7900   1.7682   1.7581  159.538   19.675   83.838   29.558 75.70065 35.50710 
1 1 1    3    8   19 o  891.235   10.540  227.255   5.3220  230.076   7.1539  223.758   7.9640  897.538   13.976  884.933   15.781 12.60535 21.08017 
1 1 1    3    8   21 o  290.385   11.997   23.690   1.9536   22.049   2.5082   26.222   3.1151  277.845   15.829  302.925   18.032 -25.08008 23.99423 
1 1 1    3    8   23 o  231.648   24.612   14.841   3.1030   11.675   3.9217   20.142   5.0746  198.506   35.966  264.789   33.606 -66.28337 49.22309 
1 1 1    3    8   25 o  795.091   12.944  180.952   5.8300  179.447   8.7450  182.156   7.8219  791.970   19.362  798.210   17.183 -6.240051 25.88740 
1 1 1    3    8   27 o  180.757   27.887   9.4625   2.7780   7.1420   3.5889   12.931   4.3876  153.779   40.400  207.735   38.452 -53.95589 55.77357 
1 1 1    3    8   29 o  332.332   33.151   34.628   5.8294   25.262   8.6815   42.318   7.8666  284.576   55.487  380.087   36.292 -95.51175 66.30178 
1 1 1    3    8   31 o  213.400   26.226   13.841   3.0884   14.095   4.1202   13.514   4.6660  218.163   33.116  208.637   40.677 9.526352 52.45268 
1 1 1    3    8   33 o  136.924   31.580   1.8436   3.7279  -6.3331   4.8916   13.172   5.7577   77.439   37.308  196.409   50.964 -118.9696 63.16027 
1 1 1    3    8   35 o   84.651   27.291  -1.6923   2.9821  -3.8727   4.3056   0.3180   4.1342   76.626   36.389   92.677   40.683 -16.05164 54.58285 
1 1 1    3    8   37 o  104.156   30.514   2.4915   3.2060   5.9188   4.4632  -1.1619   4.6081  123.233   46.509   85.079   39.514 38.15399 61.02834 
1 1 1    3    8   39 o  113.956   30.097   6.3529   2.7672   7.0495   3.1415   3.9408   5.8458  128.305   39.264   99.607   45.624 28.69829 60.19302 
1 1 1    3    9    0 o  1379.45   15.702  543.275   17.458  543.275   17.458  543.275   17.458  1379.45   22.206  1379.45   22.206 -0.000000 0.000000 
1 1 1    3    9    2 o  1109.88   15.263  351.571   9.6606  352.255   13.662  350.887   13.662  1110.96   21.564  1108.80   21.606 2.161133 30.52558 
1 1 1    3    9    4 f  764.895   18.170  166.808   7.4645  167.764   12.974  166.334   9.1264  766.363   29.685  763.427   20.962 2.935669 36.34053 
1 1 1    3    9    6 o  1039.27   18.695  308.485   10.441  308.362   18.097  308.547   12.784  1038.84   30.547  1039.69   21.561 -0.8499756 37.38920 
1 1 1    3    9   10 o  1050.74   18.804  314.979   10.618  317.799   18.445  313.582   12.986  1053.77   30.693  1047.72   21.733 6.057983 37.60807 
1 1 1    3    9   12 o  426.618   11.489   50.885   2.0016   50.422   2.1677   53.567   5.2143  420.406   9.0413  432.829   21.125 -12.42322 22.97810 
1 1 1    3    9   14 o   78.246   19.326   1.4516   1.1361   0.2351   1.7336   2.3675   1.5042   66.107   27.595   90.384   27.064 -24.27780 38.65113 
1 1 1    3    9   16 o  642.484   10.063  116.919   3.6612  126.328   5.5886  109.844   4.8459  664.886   14.739  620.082   13.704 44.80414 20.12514 
1 1 1    3    9   18 o  519.297   10.256   74.517   2.9626   88.401   4.8879   66.455   3.7248  556.221   15.409  482.375   13.540 73.84579 20.51291 
1 1 1    3    9   20 o  335.847   13.273   32.241   2.5419   32.763   3.6027   31.724   3.5870  338.560   18.659  333.134   18.881 5.425842 26.54513 
1 1 1    3    9   22 o  538.634   15.747   81.793   4.6032   79.227   5.6533   86.841   7.9296  526.522   18.828  550.746   25.247 -24.22430 31.49416 
1 1 1    3    9   24 o  584.046   18.187   97.766   6.0572   99.185   8.6074   96.374   8.5254  588.251   25.658  579.842   25.782 8.409058 36.37323 
1 1 1    3    9   26 o  231.153   22.647   15.288   2.9723   13.821   3.9916   17.114   4.4530  218.820   31.987  243.487   32.069 -24.66734 45.29440 
1 1 1    3    9   28 o  185.553   34.022   9.4730   4.1778   1.9065   5.6359   18.702   6.2244  123.143   50.414  247.963   45.700 -124.8197 68.04487 
1 1 1    3    9   30 o  300.471   25.493   26.697   4.3681   26.733   6.1469   26.660   6.2083  300.737   35.841  300.204   36.263 0.5337219 50.98579 
1 1 1    3    9   32 o  176.556   32.545   9.9923   3.2441   9.2910   4.1315   11.120   5.2392  169.772   42.710  183.340   49.118 -13.56816 65.09047 
1 1 1    3    9   34 o  111.103   32.818   1.6747   3.7173   4.7079   4.8340  -2.7142   5.8149  126.114   48.207   96.091   44.545 30.02367 65.63668 
1 1 1    3    9   36 o  102.457   30.860   1.9096   3.2039   0.1864   4.3578   3.9368   4.7266   91.084   40.772  113.829   46.335 -22.74441 61.71948 
1 1 1    3    9   38 o   81.855   28.625  -5.0409   4.2994  -5.4619   5.0737  -3.9684   8.0972   72.370   35.549   91.340   44.875 -18.97024 57.24952 
1 1 1    3    9   40 o   69.627   23.656  -3.7908   2.5654   4.3368   4.2722  -8.3739   3.2081   92.529   40.956   46.725   23.685 45.80407 47.31161 
1 1 1    3   10    1 o  3503.51   21.610  3506.70   43.176  3523.24   61.062  3490.16   61.058  3511.79   30.489  3495.23   30.632 16.55493 43.21941 
1 1 1    3   10    3 o  1403.36   15.787  562.159   12.634  562.765   17.873  561.553   17.862  1404.12   22.321  1402.60   22.331 1.514282 31.57371 
1 1 1    3   10    5 o  1100.41   21.681  346.063   13.604  351.647   19.256  340.498   19.224  1109.29   30.438  1091.53   30.882 17.76245 43.36101 
1 1 1    3   10    9 o  1434.56   19.541  588.013   15.075  586.904   18.461  590.231   26.117  1433.24   22.586  1435.88   31.894 -2.635010 39.08154 
1 1 1    3   10   11 o  337.888   15.590   32.707   2.9972   30.302   4.2518   35.083   4.2257  325.481   22.906  350.296   21.153 -24.81516 31.17912 
1 1 1    3   10   13 o  214.419   14.732   13.083   1.7952   14.673   2.6453   11.726   2.4443  226.441   20.485  202.398   21.177 24.04291 29.46306 
1 1 1    3   10   15 o  213.790   15.992   13.267   1.9247   11.429   2.8138   14.882   2.6386  199.595   24.720  227.986   20.294 -28.39041 31.98318 
1 1 1    3   10   17 o  345.568   10.984   34.657   1.9873   35.509   2.3941   32.768   3.5638  352.660   11.904  338.476   18.463 14.18469 21.96771 
1 1 1    3   10   19 o  610.392   10.385  106.941   3.5785  110.552   4.7817  102.345   5.3952  622.238   13.475  598.545   15.806 23.69287 20.77017 
1 1 1    3   10   21 o  843.383   15.507  203.445   7.3660  203.374   11.342  203.497   9.6868  843.055   23.591  843.711   20.132 -0.6566162 31.01347 
1 1 1    3   10   23 o  584.653   14.146   97.823   4.7101   91.693   6.6489  103.998   6.6734  566.204   20.591  603.103   19.403 -36.89893 28.29248 
1 1 1    3   10   25 o  570.008   14.137   92.106   4.4633   96.847   7.3139   89.293   5.6340  581.323   22.062  558.694   17.683 22.62909 28.27357 
1 1 1    3   10   27 o  210.646   30.972   13.325   3.5371   14.190   5.6360   12.763   4.5433  215.551   47.160  205.740   40.164 9.811218 61.94493 
1 1 1    3   10   29 o  135.566   36.514   4.2033   3.9333   2.5104   6.1873   5.3514   5.0953  130.064   52.986  141.067   50.256 -11.00320 73.02893 
1 1 1    3   10   31 o  217.060   30.469   15.054   3.8624   26.156   5.6399   5.2475   5.3005  296.049   33.405  138.070   50.965 157.9788 60.93755 
1 1 1    3   10   33 o  125.336   32.538   4.5064   3.2633   6.7385   4.1460   0.8720   5.2904  142.829   45.324  107.842   46.697 34.98742 65.07607 
1 1 1    3   10   35 o  116.227   33.159   3.0307   3.6244   6.8419   5.1621  -0.6749   5.0900  137.485   50.367   94.968   43.142 42.51694 66.31761 
1 1 1    3   10   37 o  111.102   35.466   3.6634   4.6835   4.3742   5.6428   2.0894   8.3967  111.899   48.341  110.306   51.909 1.592903 70.93250 
1 1 1    3   10   39 o   76.401   25.418  -0.1013   2.8432  -0.8305   4.3592   0.4386   3.7508   75.755   36.155   77.046   35.737 -1.290146 50.83589 
1 1 1    3   11    0 o  1949.18   16.954  1084.54   26.644  1084.54   26.644  1084.54   26.644  1949.18   23.977  1949.18   23.977 0.000000 0.000000 
1 1 1    3   11    2 o  2308.50   21.842  1517.99   27.157  1507.83   33.267  1538.28   47.020  2297.80   25.387  2319.19   35.551 -21.38135 43.68481 
1 1 1    3   11    4 o  788.857   21.010  177.645   9.4520   0.0000   0.0000  177.645   9.4520  ?   ?   788.857   21.010      ?      ? 
1 1 1    3   11    6 o  1592.56   32.519  725.580   29.535   0.0000   0.0000  725.580   29.535  ?   ?   1592.56   32.519      ?      ? 
1 1 1    3   11    8 o  691.873   14.998  136.762   5.9163  140.286   8.3792  133.259   8.3547  700.776   20.967  682.970   21.450 17.80627 29.99542 
1 1 1    3   11   10 o  954.281   15.262  260.428   8.3035  267.946   11.758  252.947   11.728  968.058   21.298  940.504   21.866 27.55402 30.52423 
1 1 1    3   11   12 o  350.818   15.964   35.243   3.1937   35.583   4.5146   34.903   4.5185  352.517   22.457  349.118   22.695 3.399719 31.92733 
1 1 1    3   11   14 o  462.750   13.014   61.313   3.4311   59.898   4.9246   62.648   4.7832  457.518   18.874  467.983   17.922 -10.46506 26.02777 
1 1 1    3   11   16 o  877.842   11.678  219.996   5.8132  223.002   8.7251  217.596   7.7954  883.116   17.324  872.568   15.666 10.54755 23.35698 
1 1 1    3   11   18 o  572.207   12.001   94.633   3.7254   90.038   6.2513   97.163   4.6392  561.109   19.536  583.305   13.946 -22.19580 24.00282 
1 1 1    3   11   20 o  724.151   11.176  149.784   4.6142  145.330   6.5143  154.269   6.5368  713.330   16.013  734.972   15.596 -21.64203 22.35288 
1 1 1    3   11   22 o   75.590   25.299  -5.4266   2.9364  -7.7951   4.0907  -2.9090   4.2176   66.454   32.492   84.726   38.787 -18.27128 50.59812 
1 1 1    3   11   24 o  132.980   25.646   5.3278   2.0284   4.0645   3.0201   6.3659   2.7377  120.170   38.742  145.790   33.615 -25.62088 51.29246 
1 1 1    3   11   26 o  372.289   20.940   39.953   4.4210   45.900   6.3922   34.500   6.1212  399.040   28.089  345.539   31.063 53.50131 41.88004 
1 1 1    3   11   28 o  246.701   31.143   18.087   4.1794   26.587   6.3229   11.492   5.5696  301.144   36.817  192.257   50.241 108.8870 62.28668 
1 1 1    3   11   30 o  222.972   29.938   16.837   3.5882   8.6583   5.4597   23.056   4.7609  165.871   51.930  280.073   29.807 -114.2023 59.87637 
1 1 1    3   11   32 o  163.137   31.810   8.6839   3.1020   10.946   4.5203   6.6706   4.2646  182.600   43.941  143.674   46.007 38.92558 63.61956 
1 1 1    3   11   34 o  157.422   35.346   8.9925   3.5636   9.0158   5.1538   8.9712   4.9327  157.316   50.598  157.527   49.367 -0.2107086 70.69142 
1 1 1    3   11   36 o  134.787   32.801   7.5015   3.2252   8.8486   3.8514   4.3389   5.9011  152.923   42.587  116.652   49.899 36.27103 65.60106 
1 1 1    3   11   38 o   72.551   25.656  -8.2081   4.2349 -10.3257   5.5670  -5.2994   6.5245   65.575   32.990   79.528   39.302 -13.95259 51.31230 
1 1 1    3   12    1 o  844.480   14.958  203.616   7.2025  207.579   10.189  199.658   10.183  852.703   20.953  836.257   21.351 16.44604 29.91504 
1 1 1    3   12    3 o  459.333   20.907   60.240   5.4767   0.0000   0.0000   60.240   5.4767  ?   ?   459.333   20.907      ?      ? 
1 1 1    3   12    5 o  666.038   30.011  126.897   11.399   0.0000   0.0000  126.897   11.399  ?   ?   666.038   30.011      ?      ? 
1 1 1    3   12    7 o  771.953   13.920  170.075   6.0380  169.363   7.8836  171.085   9.3909  770.117   17.950  773.789   21.281 -3.671753 27.84045 
1 1 1    3   12    9 o  1010.62   18.806  292.217   10.213  293.448   17.720  291.605   12.497  1011.47   30.719  1009.78   21.701 1.694763 37.61127 
1 1 1    3   12   11 o  725.774   12.201  149.858   5.0346  159.621   7.4840  141.787   6.8044  747.233   17.563  704.316   16.941 42.91772 24.40140 
1 1 1    3   12   13 f  277.487   15.339   21.967   1.9409   22.210   4.3500   21.907   2.1687  278.056   27.432  276.918   13.733 1.138214 30.67750 
1 1 1    3   12   15 o  286.932   8.0503   23.317   1.3103   21.785   1.7465   25.290   1.9817  276.242   11.086  297.623   11.676 -21.38080 16.10057 
1 1 1    3   12   17 o  243.362   17.680   17.121   2.4307   15.483   3.5771   18.527   3.3131  232.349   26.996  254.376   22.838 -22.02748 35.36058 
1 1 1    3   12   19 o  429.985   10.231   52.738   2.4968   53.338   3.7265   52.248   3.3635  432.177   15.120  427.793   13.787 4.384125 20.46176 
1 1 1    3   12   21 o  227.973   15.019   14.826   1.9111   15.041   3.0413   14.686   2.4567  229.266   23.261  226.680   19.004 2.586243 30.03744 
1 1 1    3   12   23 o  391.379   13.804   44.951   2.9517   39.494   4.7591   48.362   3.7629  371.371   22.471  411.388   16.039 -40.01694 27.60824 
1 1 1    3   12   25 o  339.042   17.027   33.196   3.2260   41.967   4.6613   25.133   4.4694  382.522   21.368  295.561   26.516 86.96161 34.05400 
1 1 1    3   12   27 o  322.278   20.383   28.659   3.4137   33.574   6.5112   26.797   4.0088  339.529   33.627  305.028   23.045 34.50021 40.76611 
1 1 1    3   12   29 o  199.081   34.151   12.572   3.8294   13.227   5.1509   11.763   5.7259  205.764   45.137  192.399   51.262 13.36554 68.30169 
1 1 1    3   12   31 o  219.560   30.205   15.082   3.6878   19.627   5.4796   11.320   4.9860  253.351   37.926  185.769   47.021 67.58197 60.40995 
1 1 1    3   12   33 o  117.276   29.532   2.1934   2.8735  -2.0959   3.7240   8.5049   4.5174   77.787   35.914  156.764   46.891 -78.97626 59.06467 
1 1 1    3   12   35 o   82.057   27.247  -3.0436   3.2475  -0.3608   4.8225  -5.2696   4.3928   92.508   42.012   71.606   34.706 20.90220 54.49318 
1 1 1    3   12   37 o   83.241   28.834  -6.1488   4.8476  -0.7369   6.0898 -15.5090   8.0089   91.034   43.244   75.448   38.152 15.58629 57.66842 
1 1 1    3   12   39 o   85.958   28.671   2.1419   3.7380   3.8185   4.9129  -0.1630   5.7603   91.231   41.801   80.684   39.252 10.54642 57.34163 
1 1 1    3   13    0 o   72.790   22.635   2.1733   1.3913   2.1733   1.3913   2.1733   1.3913   72.790   32.011   72.790   32.011 0.000000 0.000000 
1 1 1    3   13    2 o  990.706   21.452  280.862   12.118  274.657   17.138  287.065   17.137  979.725   30.673  1001.69   29.998 -21.96210 42.90405 
1 1 1    3   13    4 o  523.195   29.490   78.339   8.7989   0.0000   0.0000   78.339   8.7989  ?   ?   523.195   29.490      ?      ? 
1 1 1    3   13    6 o  440.534   18.929   56.970   4.4229   51.535   7.6496   59.699   5.4208  424.019   31.634  457.048   20.797 -33.02908 37.85844 
1 1 1    3   13    8 o  440.558   13.002   56.200   2.9853   53.649   5.4110   57.317   3.5794  433.067   21.909  448.048   14.009 -14.98099 26.00498 
1 1 1    3   13   10 o  546.925   15.063   85.544   4.6949   90.083   6.7469   81.282   6.5373  561.001   21.088  532.850   21.513 28.15088 30.12520 
1 1 1    3   13   12 o  581.038   11.267   96.534   3.7314   95.634   5.3515   97.385   5.2056  578.376   16.225  583.699   15.638 -5.323181 22.53419 
1 1 1    3   13   14 o  458.881   9.9547   59.845   2.5954   63.662   3.8790   56.750   3.4922  472.042   14.409  445.720   13.739 26.32217 19.90942 
1 1 1    3   13   16 o  1042.35   13.035  310.935   7.7414  298.998   11.020  322.566   10.877  1022.51   18.898  1062.19   17.957 -39.68549 26.06907 
1 1 1    3   13   18 o  149.835   23.386   7.0768   2.0039   9.4472   2.6309   3.8011   3.0927  181.626   25.400  118.043   39.274 63.58321 46.77152 
1 1 1    3   13   20 o  321.764   29.670   29.895   5.4269   27.000   7.6365   32.848   7.7135  305.846   43.783  337.683   40.054 -31.83755 59.34018 
1 1 1    3   13   22 o  672.636   12.073  129.437   4.6263  124.454   6.6010  134.247   6.4857  659.858   17.541  685.413   16.592 -25.55505 24.14561 
1 1 1    3   13   24 o  214.512   29.797   13.832   3.5149   14.159   4.9542   13.500   4.9875  217.263   41.498  211.762   42.772 5.501129 59.59481 
1 1 1    3   13   26 o  226.042   29.542   14.936   3.6532   8.8462   4.8322   23.060   5.5811  170.469   47.784  281.615   34.751 -111.1466 59.08438 
1 1 1    3   13   28 o  184.167   36.295   10.671   4.0494   13.308   5.5965   7.7734   5.8666  206.320   48.400  162.015   54.099 44.30533 72.58929 
1 1 1    3   13   30 o  247.701   24.062   17.354   3.2936   22.895   5.5630   14.364   4.0868  275.980   35.346  219.422   32.660 56.55829 48.12489 
1 1 1    3   13   32 o  124.782   32.107   3.9279   3.2117   0.4412   4.4555   7.6993   4.6339   98.487   42.750  151.077   47.914 -52.58910 64.21323 
1 1 1    3   13   34 o  128.817   34.279   5.6189   3.4105   6.4842   5.1047   4.9212   4.5836  134.822   49.966  122.812   46.943 12.01069 68.55807 
1 1 1    3   13   36 o   89.811   29.290  -0.0084   3.4027  -0.4419   5.6316   0.2408   4.2704   92.689   43.260   86.932   39.501 5.757057 58.58062 
1 1 1    3   13   38 o  118.688   34.538   8.4985   4.1309   12.655   5.6463   3.7120   6.0594  141.192   52.505   96.183   44.884 45.00858 69.07542 
1 1 1    3   14    1 o  323.270   21.259   29.958   3.9135   28.078   5.5331   31.841   5.5358  313.064   30.992  333.477   29.109 -20.41260 42.51812 
1 1 1    3   14    3 o  908.563   21.390  236.523   11.083  234.905   15.703  238.129   15.643  905.444   30.411  911.683   30.088 -6.238892 42.77973 
1 1 1    3   14    5 o  1016.01   17.784  297.139   8.8922  292.154   17.789  298.800   10.267  1009.30   30.906  1022.71   17.603 -13.40454 35.56747 
1 1 1    3   14    7 o  455.991   12.630   61.087   2.8687   62.956   3.3546   56.001   5.5342  469.606   12.526  442.375   21.937 27.23090 25.26094 
1 1 1    3   14    9 o  452.138   16.370   58.586   4.2195   56.772   5.9702   60.396   5.9642  445.110   23.519  459.166   22.777 -14.05609 32.74059 
1 1 1    3   14   11 o  598.246   13.884  102.323   4.4624  102.804   7.7468  102.084   5.4591  598.916   22.681  597.576   16.019 1.340698 27.76759 
1 1 1    3   14   13 o  501.095   16.688   71.987   4.7683   73.155   6.7321   70.812   6.7546  505.199   23.367  496.991   23.832 8.207703 33.37605 
1 1 1    3   14   15 o  619.919   14.273  110.518   4.7325  108.308   8.2364  111.607   5.7823  614.897   23.488  624.940   16.224 -10.04340 28.54661 
1 1 1    3   14   17 o  396.992   10.613   45.079   2.3929   44.191   3.5294   45.834   3.2552  393.338   15.734  400.647   14.247 -7.308960 21.22603 
1 1 1    3   14   19 o  414.929   26.458   49.528   6.2578   51.494   8.8869   47.593   8.8133  423.157   36.826  406.701   37.999 16.45609 52.91553 
1 1 1    3   14   21 o  171.823   35.508   8.8052   3.3643   8.8052   3.3643   0.0000   0.0000  171.823   35.508  ?   ?       ?      ? 
1 1 1    3   14   23 o  165.831   35.497   7.1707   3.5308   5.0493   4.3009   11.556   6.1837  136.370   46.317  195.291   53.803 -58.92149 70.99321 
1 1 1    3   14   25 o  426.261   19.440   52.914   4.6200   49.703   7.2183   55.142   6.0129  414.646   30.525  437.875   24.079 -23.22913 38.87947 
1 1 1    3   14   27 o  221.645   25.325   14.773   3.0846   16.640   4.2518   12.699   4.4820  239.024   31.191  204.266   39.906 34.75841 50.65001 
1 1 1    3   14   29 o  131.587   32.003   4.8387   3.2143   7.6052   4.0424   0.0819   5.3007  155.368   43.759  107.806   46.712 47.56190 64.00665 
1 1 1    3   14   31 o   98.811   28.634   1.3967   2.6712   2.9897   3.4684  -0.9254   4.1876  108.064   40.947   89.559   40.038 18.50491 57.26849 
1 1 1    3   14   33 f  130.424   29.401   5.7207   2.6904   2.5114   4.0508   8.2535   3.5987  105.216   42.869  155.632   40.247 -50.41570 58.80123 
1 1 1    3   14   35 o  118.411   33.510   4.7499   3.2418   6.7395   5.7398   3.8178   3.9284  128.902   51.558  107.920   42.819 20.98183 67.02003 
1 1 1    3   14   37 o  134.036   37.407   9.1874   3.7161   7.2109   4.2316   15.850   7.7691  121.912   45.431  146.160   59.439 -24.24844 74.81318 
1 1 1    3   15    2 o  697.293   29.972  139.453   11.919  139.453   11.919   0.0000   0.0000  697.293   29.972  ?   ?       ?      ? 
1 1 1    3   15    4 o  130.304   18.661   3.8816   0.9762   6.7353   2.7917   3.4841   1.0419  150.178   33.454  110.430   16.545 39.74805 37.32178 
1 1 1    3   15    6 o  548.800   16.820   87.214   3.9982   84.837   9.4855   87.727   4.4090  543.370   30.611  554.229   13.949 -10.85864 33.63924 
1 1 1    3   15    8 o  330.308   13.345   30.770   1.6996   31.821   4.7194   30.614   1.8218  333.098   24.844  327.517   9.7540 5.580536 26.69029 
1 1 1    3   15   10 o  1028.31   15.740  303.013   9.2304  302.083   13.057  303.942   13.050  1026.72   22.300  1029.90   22.220 -3.173584 31.48022 
1 1 1    3   15   12 o  827.276   13.781  195.910   6.4988  188.987   9.1908  202.832   9.1905  812.603   19.833  841.950   19.141 -29.34747 27.56283 
1 1 1    3   15   14 o  382.459   9.3019   41.080   1.9296   39.622   2.3660   43.974   3.3345  372.576   11.135  392.341   14.903 -19.76581 18.60376 
1 1 1    3   15   16 o  810.492   15.088  188.865   6.8560  182.421   10.625  193.463   8.9747  798.335   23.336  822.650   19.130 -24.31525 30.17515 
1 1 1    3   15   18 o  402.717   26.803   46.646   6.1506   49.328   8.7857   44.068   8.6132  414.134   37.200  391.301   38.598 22.83337 53.60635 
1 1 1    3   15   20 o  395.872   22.861   44.854   5.1611   44.854   5.1611   0.0000   0.0000  395.872   22.861  ?   ?       ?      ? 
1 1 1    3   15   22 o  600.715   16.724  101.015   4.9538  108.357   10.092   98.684   5.6860  613.964   28.823  587.466   16.972 26.49799 33.44863 
1 1 1    3   15   24 o  257.023   29.994   19.944   4.0822   30.171   6.0088   11.178   5.5632  322.880   32.633  191.167   50.336 131.7128 59.98827 
1 1 1    3   15   26 o  489.775   14.383   66.813   3.9474   86.984   6.1998   53.060   5.1190  550.107   19.762  429.444   20.902 120.6637 28.76524 
1 1 1    3   15   28 o  237.099   38.161   18.366   5.2750   11.626   7.6186   24.573   7.3108  190.038   61.560  284.160   45.114 -94.12210 76.32127 
1 1 1    3   15   30 o  185.887   32.954   11.219   3.4649   9.8500   4.5679   13.075   5.3173  173.056   45.633  198.718   47.555 -25.66177 65.90810 
1 1 1    3   15   32 o  113.108   32.540   2.4861   3.3992   5.1150   4.9287   0.1012   4.6944  128.725   48.803   97.492   43.053 31.23377 65.07930 
1 1 1    3   15   34 o  102.261   30.137   2.4093   3.0435   4.1027   3.7504  -0.8568   5.2085  111.674   42.516   92.849   42.725 18.82488 60.27476 
1 1 1    3   15   36 o  112.436   31.137   5.2894   2.8333   5.4718   4.9117   5.1985   3.4686  112.316   46.629  112.556   41.278 -0.2404175 62.27482 
1 1 1    3   15   38 o  101.102   50.316   2.5882   8.6962   11.391   11.436  -9.4808   13.391  101.102   50.316  ?   ?       ?      ? 
1 1 1    3   16    1 o  578.377   21.211   96.195   6.9803   88.605   9.8541  103.839   9.8894  555.291   31.117  601.463   28.831 -46.17139 42.42108 
1 1 1    3   16    3 o  722.245   18.335  148.334   7.1092  145.935   8.6622  153.284   12.443  714.039   21.272  730.451   29.870 -16.41284 36.67049 
1 1 1    3   16    5 o  728.999   14.715  151.873   6.1124  145.484   8.4365  158.933   8.8681  712.896   20.751  745.102   20.870 -32.20587 29.43068 
1 1 1    3   16    7 o  511.127   19.763   75.417   5.4301   73.988   9.3546   76.143   6.6687  506.797   32.367  515.457   22.686 -8.660217 39.52526 
1 1 1    3   16    9 o  510.689   16.114   74.710   4.6881   70.046   6.5499   79.610   6.7129  494.302   23.235  527.076   22.333 -32.77390 32.22792 
1 1 1    3   16   11 o  269.356   15.990   19.470   2.0679   23.271   4.4874   18.446   2.3300  284.676   27.641  254.036   16.083 30.63966 31.97928 
1 1 1    3   16   13 o   92.307   27.327   0.3691   2.4240  -0.2498   3.3821   1.0229   3.4760   87.409   37.593   97.206   39.670 -9.797333 54.65319 
1 1 1    3   16   15 o  230.159   20.880   15.597   2.4195   14.332   4.5905   16.083   2.8471  223.190   36.065  237.129   21.054 -13.93896 41.76086 
1 1 1    3   16   17 o  1025.92   22.165  302.361   12.932  307.757   17.732  296.231   18.900  1035.97   30.013  1015.86   32.624 20.10394 44.32983 
1 1 1    3   16   19 o  335.224   21.997   32.152   4.2052   32.152   4.2052   0.0000   0.0000  335.224   21.997  ?   ?       ?      ? 
1 1 1    3   16   21 o  180.932   25.439   9.6514   2.5671   13.236   3.7468   6.4805   3.5242  214.510   30.628  147.355   40.626 67.15553 50.87819 
1 1 1    3   16   23 o  147.519   33.139   6.3916   3.3208   2.4999   5.4418   8.7007   4.1918  125.671   50.224  169.367   43.248 -43.69558 66.27856 
1 1 1    3   16   25 o  250.143   29.064   24.062   3.5248   34.496   4.4555   6.6077   5.7625  346.103   22.574  154.184   53.567 191.9182 58.12871 
1 1 1    3   16   27 o  172.552   35.477   9.4620   3.4475   7.9820   6.9415   9.9466   3.9720  165.713   58.699  179.390   39.861 -13.67752 70.95352 
1 1 1    3   16   29 o  136.072   36.092   5.1926   3.8097   6.7691   4.4650   0.9734   7.3046  146.225   47.103  125.920   54.698 20.30510 72.18410 
1 1 1    3   16   31 o  182.485   34.481   11.611   3.6696   10.456   5.1602   12.793   5.2196  172.605   49.717  192.365   47.792 -19.75992 68.96301 
1 1 1    3   16   33 o  199.939   37.445   15.715   4.3395   15.020   6.0847   16.434   6.1905  194.832   53.245  205.047   52.664 -10.21498 74.88996 
1 1 1    3   16   35 o  111.049   30.395   4.5861   2.8471   6.5329   3.9951   2.5772   4.0584  125.274   44.515   96.824   41.398 28.44990 60.78950 
1 1 1    3   16   37 f  111.921   35.311   5.8295   4.0451   17.214   7.8687   1.7400   4.7160  137.988   58.265   85.854   39.908 52.13379 70.62206 
1 1 1    3   17    0 o  131.676   22.830   5.7689   2.0998   5.7689   2.0998   5.7689   2.0998  131.676   32.287  131.676   32.287 -0.000000 0.000000 
1 1 1    3   17    2 o  255.072   12.156   18.696   1.2482   18.734   1.3514   18.474   3.2561  256.217   9.2489  253.928   22.485 2.288818 24.31272 
1 1 1    3   17    4 o  474.120   12.592   62.276   3.0280   60.017   3.5182   68.729   5.9467  458.375   13.459  489.866   21.287 -31.49084 25.18464 
1 1 1    3   17    6 o  628.160   19.220  112.997   6.5128  114.421   11.232  112.276   7.9940  630.392   31.242  625.928   22.395 4.463867 38.43928 
1 1 1    3   17    8 o  799.171   14.567  182.793   6.5502  182.360   8.5864  183.395   10.131  798.310   18.860  800.032   22.204 -1.722168 29.13304 
1 1 1    3   17   10 o  566.724   13.061   91.614   3.5127   91.416   3.9828   92.308   7.4528  565.827   12.343  567.622   23.023 -1.795471 26.12293 
1 1 1    3   17   12 o  475.732   17.371   64.841   4.7126   65.339   6.6741   64.345   6.6551  477.560   24.506  473.903   24.625 3.657104 34.74102 
1 1 1    3   17   14 o  286.294   18.202   24.519   2.4973   21.544   5.0381   25.487   2.8755  273.906   32.253  298.682   16.881 -24.77628 36.40395 
1 1 1    3   17   16 o  294.172   33.546   25.967   5.3221   18.471   7.5327   33.438   7.5204  247.500   54.814  340.844   38.690 -93.34468 67.09260 
1 1 1    3   17   20 o  175.230   24.218   9.1131   2.3262   9.5566   3.4550   8.7454   3.1462  179.062   35.088  171.398   33.388 7.664581 48.43512 
1 1 1    3   17   22 o  288.622   16.155   23.801   2.6290   29.137   3.8644   19.204   3.5870  318.724   21.261  258.520   24.330 60.20358 32.31076 
1 1 1    3   17   24 o  364.076   18.139   38.766   3.7106   44.804   5.1408   32.200   5.3613  394.517   22.849  333.635   28.178 60.88199 36.27781 
1 1 1    3   17   26 o  372.275   15.876   41.101   3.2748   31.471   4.7806   49.616   4.4952  329.395   25.449  415.155   18.987 -85.76019 31.75123 
1 1 1    3   17   28 o  118.106   35.400   1.4521   4.1032   0.1981   6.5225   2.2735   5.2786  117.781   51.417  118.430   48.672 -0.6499100 70.80029 
1 1 1    3   17   30 o  163.129   42.835   9.1664   5.2592   9.3266   8.2373   9.0562   6.8332  164.602   62.927  161.655   58.134 2.946594 85.67008 
1 1 1    3   17   32 o  118.208   35.701   3.1395   4.2325   0.8741   7.2965   4.2883   5.1960  115.308   52.088  121.108   48.837 -5.800789 71.40208 
1 1 1    3   17   34 o   92.383   29.311   0.7499   3.2649   2.2709   4.1389  -1.7557   5.3121   97.357   41.721   87.410   41.181 9.947212 58.62180 
1 1 1    3   17   36 o  104.340   32.632   4.1332   3.7137   9.6316   6.1779   1.0222   4.6470  123.155   51.794   85.525   39.708 37.62967 65.26413 
1 1 1    3   18    1 o  593.243   15.066  100.811   5.0967  102.338   7.2159   99.290   7.1997  597.744   21.168  588.743   21.444 9.001648 30.13159 
1 1 1    3   18    3 o  875.596   18.657  220.111   8.7742  220.181   15.218  220.076   10.739  874.683   30.508  876.510   21.484 -1.826965 37.31329 
1 1 1    3   18    5 o  1406.14   32.012  569.519   25.670   0.0000   0.0000  569.519   25.670  ?   ?   1406.14   32.012      ?      ? 
1 1 1    3   18    7 o  560.279   20.047   91.179   6.0235   87.190   10.356   93.219   7.4052  550.172   33.005  570.386   22.765 -20.21436 40.09491 
1 1 1    3   18    9 o  378.102   18.142   41.130   3.8961   37.149   5.5396   45.027   5.4806  359.824   26.996  396.379   24.245 -36.55466 36.28485 
1 1 1    3   18   11 o  1099.13   16.006  345.856   10.031  351.962   14.184  339.745   14.189  1108.88   22.429  1089.38   22.839 19.49207 32.01107 
1 1 1    3   18   13 f  697.301   11.551  138.003   4.5227  134.012   5.8635  143.865   7.1063  685.031   15.009  709.571   17.561 -24.53937 23.10125 
1 1 1    3   18   15 o  179.129   39.706   9.1888   4.5533   7.4563   6.4165   10.946   6.4624  166.213   56.572  192.045   55.731 -25.83257 79.41257 
1 1 1    3   18   19 o  167.669   30.298   9.0688   2.8804   4.9845   5.5225   10.595   3.3760  143.391   52.161  191.948   30.841 -48.55719 60.59678 
1 1 1    3   18   21 o  102.096   26.839   2.2249   2.1719   0.3477   3.3922   3.5291   2.8274   91.145   38.359  113.047   37.549 -21.90182 53.67765 
1 1 1    3   18   23 o  481.082   15.889   63.321   3.9609   74.396   7.6019   59.194   4.6405  507.792   26.251  454.373   17.909 53.41852 31.77789 
1 1 1    3   18   25 o  440.591   19.713   58.018   3.7884   53.846   8.7646   58.976   4.2012  427.857   35.920  453.325   16.251 -25.46814 39.42529 
1 1 1    3   18   27 o  236.289   35.436   18.255   4.6112   15.853   7.3110   19.842   5.9422  217.335   57.933  255.242   40.823 -37.90715 70.87105 
1 1 1    3   18   29 f  106.333   31.153   1.6540   3.1884   3.4222   4.0143  -1.3679   5.2478  114.803   43.919   97.864   44.194 16.93916 62.30595 
1 1 1    3   18   31 o  207.005   39.446   14.417   4.6238   24.713   8.2982   9.7812   5.5683  252.370   58.756  161.641   52.647 90.72972 78.89169 
1 1 1    3   18   33 o  128.019   33.880   3.2991   4.1924  -5.6741   5.7257   13.671   6.1557   80.916   39.311  175.122   55.190 -94.20578 67.75955 
1 1 1    3   18   35 o   69.866   24.590  -7.0833   3.7268  -7.1880   4.7753  -6.9202   5.9604   65.551   32.606   74.180   36.819 -8.629097 49.18085 
1 1 1    3   18   37 o   85.163   28.012   2.7933   3.1319   2.1780   3.7988   4.0993   5.5342   80.768   36.914   89.558   42.144 -8.789337 56.02489 
1 1 1    3   19    0 o  594.221   15.195  101.300   7.2606  101.300   7.2606  101.300   7.2606  594.221   21.489  594.221   21.489 0.000000 0.000000 
1 1 1    3   19    2 o  486.842   19.242   67.606   4.9813   69.314   8.8624   66.817   6.0228  490.704   31.669  482.979   21.866 7.724823 38.48484 
1 1 1    3   19    4 o  832.713   16.729  192.208   6.5431  210.400   14.359  187.441   7.3506  855.594   29.429  809.832   15.916 45.76178 33.45712 
1 1 1    3   19    6 o  788.764   19.149  176.943   8.1641  183.598   14.105  173.590   10.012  799.035   30.954  778.493   22.550 20.54163 38.29739 
1 1 1    3   19    8 o  937.338   17.836  253.939   9.3083  241.496   14.664  262.335   12.046  917.383   28.030  957.293   22.066 -39.91040 35.67290 
1 1 1    3   19   10 o  134.718   21.208   5.3922   1.6616   7.7236   2.3547   3.0801   2.3449  164.198   25.146  105.237   34.159 58.96104 42.41656 
1 1 1    3   19   12 o  417.437   18.544   49.920   4.4136   48.995   6.2606   50.833   6.2232  413.569   26.545  421.304   25.901 -7.735504 37.08765 
1 1 1    3   19   18 o  342.393   19.446   36.142   2.8337   29.954   6.5801   37.551   3.1397  322.266   35.803  362.519   15.187 -40.25323 38.89125 
1 1 1    3   19   20 o  488.383   16.782   66.563   4.2302   73.034   8.0586   64.102   4.9700  503.628   28.058  473.137   18.419 30.49133 33.56361 
1 1 1    3   19   22 o  535.921   14.965   82.199   4.4930   80.907   5.8117   84.119   7.0834  531.056   19.190  540.786   22.968 -9.730225 29.92941 
1 1 1    3   19   24 o  396.786   16.114   46.100   3.5087   42.808   5.6914   48.118   4.4563  384.494   25.956  409.079   19.102 -24.58420 32.22725 
1 1 1    3   19   26 o  182.462   35.403   10.924   3.5924   11.455   4.2166   9.5202   6.8609  191.592   39.889  173.332   58.501 18.26022 70.80544 
1 1 1    3   19   28 o  111.425   33.642   0.2204   3.9306   4.1871   5.7960  -3.1575   5.3485  130.518   51.939   92.333   42.774 38.18509 67.28463 
1 1 1    3   19   30 o  139.527   37.607   6.1819   4.4352   9.4018   5.8743   1.9128   6.7639  159.713   54.130  119.341   52.222 40.37112 75.21438 
1 1 1    3   19   32 o  139.451   39.962   8.1026   4.9483   7.9285   7.0678   8.2700   6.9301  138.536   56.556  140.366   56.472 -1.829697 79.92307 
1 1 1    3   19   34 f   99.597   33.021   1.2807   4.8773  -2.8714   7.6302   4.1491   6.3420   91.961   44.835  107.232   48.490 -15.27041 66.04101 
1 1 1    3   19   36 o   71.623   24.962  -3.7954   3.6560  -7.6646   5.2078  -0.0357   5.1336   63.918   32.122   79.328   38.218 -15.40985 49.92450 
1 1 1    3   20    1 o  500.868   19.268   71.353   5.1423   73.808   9.1332   70.213   6.2223  506.562   31.615  495.175   22.034 11.38675 38.53627 
1 1 1    3   20    3 o  983.128   17.530  275.659   9.5520  282.818   15.541  271.314   12.109  992.761   27.451  973.495   21.811 19.26575 35.06093 
1 1 1    3   20    5 o  1075.24   19.682  335.605   11.314  320.337   19.563  343.279   13.868  1055.44   32.501  1095.05   22.207 -39.60229 39.36353 
1 1 1    3   20    7 o  293.656   24.510   24.677   3.9209   25.273   6.6412   24.358   4.8579  295.979   39.345  291.332   29.239 4.647034 49.02012 
1 1 1    3   20    9 o  830.707   19.562  196.091   8.7904  192.486   10.789  203.211   15.161  820.111   23.069  841.303   31.599 -21.19226 39.12350 
1 1 1    3   20   11 o  604.299   14.701  104.683   4.7669  103.613   8.2660  105.217   5.8350  601.695   24.089  606.904   16.859 -5.208618 29.40263 
1 1 1    3   20   15 o  192.243   60.970   10.687   7.5033   10.687   7.5033   0.0000   0.0000  192.243   60.970  ?   ?       ?      ? 
1 1 1    3   20   17 o  647.080   15.639  118.772   5.5174  123.829   9.3714  116.089   6.8258  657.121   25.007  637.038   18.789 20.08282 31.27893 
1 1 1    3   20   19 o  525.294   17.561   83.243   4.6841   70.281   8.5515   88.798   5.5987  493.621   30.378  556.966   17.626 -63.34515 35.12124 
1 1 1    3   20   21 o  202.582   38.397   12.709   4.5497   11.100   6.5109   14.245   6.3602  190.486   56.130  214.677   52.408 -24.19096 76.79328 
1 1 1    3   20   23 o  550.790   16.784   86.847   4.7973   89.421   8.9165   85.799   5.6912  555.080   28.167  546.499   18.261 8.580750 33.56866 
1 1 1    3   20   25 o  353.564   30.679   42.594   5.2542   24.406   8.2791   54.859   6.7988  274.392   54.826  432.735   27.550 -158.3433 61.35821 
1 1 1    3   20   27 o  152.264   36.633   7.2008   4.1085   2.8392   6.0602   10.910   5.5890  125.100   51.854  179.427   51.759 -54.32656 73.26513 
1 1 1    3   20   29 o  107.778   30.111   1.6742   2.9442   5.8349   4.4593  -1.5411   3.9201  133.245   47.064   82.311   37.573 50.93330 60.22208 
1 1 1    3   20   31 o  144.793   45.149   7.9733   7.9101  -2.4883   13.573   13.354   9.7340  125.991   61.050  163.596   66.532 -37.60491 90.29755 
1 1 1    3   20   33 o  116.036   31.448   5.3115   3.4882  -1.5427   6.0085   8.7960   4.2841   89.711   42.713  142.361   46.168 -52.64902 62.89595 
1 1 1    3   20   35 o   99.537   30.556   4.8256   3.1644   4.5338   3.9872   5.3223   5.2015   98.270   41.484  100.804   44.875 -2.533859 61.11232 
1 1 1    3   21    0 o  1800.53   16.926  926.930   24.570  926.930   24.570  926.930   24.570  1800.53   23.937  1800.53   23.937 -0.000000 0.000000 
1 1 1    3   21    2 o  499.753   20.341   71.743   5.4348   71.437   9.5013   71.893   6.6257  498.409   33.427  501.098   23.186 -2.688568 40.68130 
1 1 1    3   21    4 o  732.081   19.804  155.561   7.7586  148.256   13.384  159.257   9.5217  718.214   32.677  745.948   22.383 -27.73444 39.60767 
1 1 1    3   21    6 o  639.598   17.848  118.869   4.9448  114.543   11.703  119.810   5.4558  631.481   32.496  647.716   14.770 -16.23529 35.69540 
1 1 1    3   21    8 o  944.126   22.705  255.852   12.221  247.782   17.200  264.081   17.368  929.021   32.465  959.231   31.750 -30.21008 45.40969 
1 1 1    3   21   10 o  730.390   23.287  153.157   9.6996  153.592   13.703  152.719   13.731  731.444   32.851  729.337   33.013 2.107178 46.57335 
1 1 1    3   21   14 o  713.063   13.697  145.520   5.5644  141.784   7.9854  149.046   7.7579  704.104   19.887  722.022   18.841 -17.91809 27.39467 
1 1 1    3   21   16 o  212.076   32.268   13.722   4.0636   22.107   5.7557   5.3891   5.7378  276.708   36.474  147.445   53.240 129.2626 64.53551 
1 1 1    3   21   18 o  292.554   23.334   25.444   3.3768   23.308   6.5657   26.213   3.9374  282.920   40.693  302.188   22.848 -19.26834 46.66869 
1 1 1    3   21   20 o  222.142   36.516   15.208   4.5549   17.603   6.5322   12.942   6.3548  239.720   49.424  204.563   53.767 35.15643 73.03143 
1 1 1    3   21   22 o  314.011   29.884   29.360   5.2745   35.510   7.5590   23.525   7.3635  347.314   38.164  280.708   45.998 66.60596 59.76829 
1 1 1    3   21   24 o  189.450   33.836   10.781   3.6358   7.9577   4.6225   15.361   5.8875  159.203   47.392  219.697   48.306 -60.49448 67.67164 
1 1 1    3   21   26 o  139.006   35.686   5.5061   3.8097   8.0299   5.2306   2.6542   5.5601  156.774   51.023  121.238   49.905 35.53553 71.37113 
1 1 1    3   21   28 o  135.098   31.409   1.9906   3.2515   13.543   5.8492  -3.1756   3.9115  194.564   51.797   75.631   35.540 118.9327 62.81780 
1 1 1    3   21   30 o  115.089   33.816   3.6460   3.5229   0.7438   7.1677   4.5704   4.0452  112.301   51.085  117.878   44.322 -5.577286 67.63200 
1 1 1    3   21   32 o   96.265   32.554  -2.1806   5.1362  -5.9303   7.5141   1.1076   7.0366   88.990   43.621  103.539   48.334 -14.54976 65.10757 
1 1 1    3   21   34 o   82.181   27.525  -1.1419   3.0481   4.9970   5.5477  -3.7966   3.6481  101.915   45.785   62.447   30.564 39.46749 55.04927 
1 1 1    3   22    1 o  818.438   19.306  190.347   8.5186  196.897   14.788  187.094   10.421  828.241   31.309  808.634   22.598 19.60693 38.61286 
1 1 1    3   22    3 o  1986.60   22.787  1130.11   25.532  1153.71   39.301  1112.87   33.585  2003.55   34.396  1969.66   29.899 33.89063 45.57463 
1 1 1    3   22    5 o  304.346   28.078   28.995   4.2482   22.051   7.3463   32.484   5.2071  271.971   49.174  336.721   27.116 -64.75049 56.15521 
1 1 1    3   22    7 o  865.619   19.672  213.068   9.2075  219.816   15.878  209.650   11.302  875.219   31.812  856.019   23.151 19.19965 39.34433 
1 1 1    3   22    9 o  411.881   12.768   47.434   2.9542   42.834   3.7997   54.465   4.6973  387.215   17.207  436.548   18.868 -49.33301 25.53572 
1 1 1    3   22   13 o  817.956   15.724  191.764   7.2466  193.092   9.5565  189.968   11.116  821.546   20.397  814.366   23.935 7.179382 31.44743 
1 1 1    3   22   15 o  624.731   18.326  112.027   6.5288  113.465   9.2528  110.602   9.2134  628.740   25.805  620.723   26.027 8.017090 36.65158 
1 1 1    3   22   17 o  767.268   17.514  168.990   7.6582  176.408   11.066  162.171   10.609  783.406   24.769  751.130   24.767 32.27637 35.02710 
1 1 1    3   22   19 o  224.474   36.778   15.571   4.6159   15.760   6.5567   15.385   6.4994  225.850   51.984  223.099   52.038 2.750671 73.55510 
1 1 1    3   22   21 o   98.349   30.939  -1.3095   3.4275  -6.0496   6.3676   0.6242   4.0670   96.665   45.399  100.034   42.045 -3.369171 61.87757 
1 1 1    3   22   23 o  390.205   15.862   44.745   3.4714   48.325   4.6357   40.175   5.2380  408.919   19.878  371.491   24.724 37.42892 31.72449 
1 1 1    3   22   25 o  147.205   28.118   6.4261   2.6672   11.254   3.9719   2.4611   3.5994  188.791   38.202  105.620   41.268 83.17087 56.23573 
1 1 1    3   22   27 o  103.959   29.516   1.9646   2.7412   0.1880   3.7435   4.0182   4.0249   89.731   39.068  118.187   44.255 -28.45578 59.03236 
1 1 1    3   22   29 o  154.630   34.436   9.5606   3.5800   11.218   4.2239   5.3340   6.7458  178.632   42.144  130.629   54.473 48.00383 68.87257 
1 1 1    3   22   31 o  131.462   38.227   7.2193   5.1660   0.1474   7.8275   12.677   6.8762  105.306   49.727  157.618   58.072 -52.31184 76.45334 
1 1 1    3   22   33 o  106.664   33.174   5.4688   3.8240   5.4591   4.6256   5.4898   6.7969  107.314   44.958  106.014   48.792 1.300659 66.34724 
1 1 1    3   23    0 o  489.183   10.710   68.480   4.2162   68.480   4.2162   68.480   4.2162  489.183   15.146  489.183   15.146 0.000000 0.000000 
1 1 1    3   23    2 o  1023.48   22.063  300.667   12.856  297.947   18.681  303.114   17.720  1018.89   32.151  1028.07   30.223 -9.183838 44.12601 
1 1 1    3   23    4 o  1180.85   18.764  401.703   10.891  394.710   21.823  404.022   12.568  1172.64   32.632  1189.06   18.533 -16.42407 37.52815 
1 1 1    3   23    6 o  202.456   32.939   13.465   3.5760   8.0426   6.6723   15.650   4.2357  171.395   57.692  233.518   31.806 -62.12289 65.87861 
1 1 1    3   23    8 o  875.927   21.082  219.984   10.310  219.621   13.287  220.534   16.345  875.545   26.610  876.310   32.707 -0.7645874 42.16490 
1 1 1    3   23   10 o  768.051   24.160  169.550   10.572  180.386   15.141  159.243   14.768  792.105   33.518  743.998   34.806 48.10681 48.32090 
1 1 1    3   23   12 o  299.051   21.422   26.815   3.1904   28.135   3.7521   23.370   6.0621  313.523   20.985  284.580   37.353 28.94336 42.84394 
1 1 1    3   23   14 o  465.296   20.557   62.368   5.4403   67.964   7.7254   56.863   7.6624  486.197   27.862  444.396   30.234 41.80164 41.11489 
1 1 1    3   23   16 o  220.972   33.917   14.940   4.4479   23.834   6.3402   6.3209   6.2416  286.194   38.846  155.750   55.608 130.4442 67.83301 
1 1 1    3   23   18 o  360.333   16.279   37.357   3.3445   36.367   4.6940   38.377   4.7666  355.469   23.155  365.197   22.887 -9.728088 32.55716 
1 1 1    3   23   20 o  564.304   20.774   92.697   6.6663  101.079   9.4570   84.419   9.3984  590.156   28.099  538.453   30.607 51.70245 41.54899 
1 1 1    3   23   22 o  352.237   23.099   36.516   4.1425   37.015   7.8842   36.325   4.8686  351.076   39.379  353.399   24.157 -2.323486 46.19828 
1 1 1    3   23   24 f  107.138   32.149   1.0865   3.3074   0.8614   4.1527   1.4769   5.4694   99.729   42.231  114.547   48.484 -14.81759 64.29718 
1 1 1    3   23   26 o  133.319   32.058   5.3048   3.5188   9.5269   4.4140  -2.0565   5.8284  167.409   45.184   99.229   45.489 68.18015 64.11614 
1 1 1    3   23   28 o  279.996   50.132   30.958   6.8553   45.959   15.215   27.137   7.6789  289.371   85.943  270.621   51.640 18.75043 100.2642 
1 1 1    3   23   30 o   98.136   32.468  -1.8578   3.7195   5.9651   7.6190  -4.3056   4.2619  124.812   54.997   71.460   34.526 53.35233 64.93563 
1 1 1    3   23   32 o   76.506   26.379  -3.6685   3.7207  -2.7721   5.4402  -4.4564   5.1001   79.569   38.579   73.444   35.987 6.125069 52.75801 
1 1 1    3   23   34 o   83.975   27.662   2.4357   3.2753   0.8658   4.8077   3.7954   4.4742   78.922   37.750   89.027   40.445 -10.10532 55.32478 
1 1 1    3   24    1 o  338.694   28.411   33.149   5.4715   35.203   7.6269   30.971   7.8537  349.701   38.244  327.687   42.027 22.01343 56.82255 
1 1 1    3   24    3 o  1161.55   19.997  386.615   12.567  387.152   21.487  386.336   15.493  1161.20   32.447  1161.90   23.382 -0.7026367 39.99459 
1 1 1    3   24    5 o  299.529   30.822   29.146   4.3825   20.365   7.9490   32.981   5.2529  259.813   55.343  339.245   27.152 -79.43134 61.64498 
1 1 1    3   24    7 o  758.707   33.840  165.507   14.642   0.0000   0.0000  165.507   14.642  ?   ?   758.707   33.840      ?      ? 
1 1 1    3   24    9 o  345.187   45.043   34.535   8.8670   0.0000   0.0000   34.535   8.8670  ?   ?   345.187   45.043      ?      ? 
1 1 1    3   24   11 o  1054.06   16.670  318.477   10.021  321.232   14.190  315.735   14.153  1058.62   23.504  1049.49   23.647 9.130005 33.34071 
1 1 1    3   24   13 o  578.788   19.134   96.397   6.3085  101.867   8.9402   90.973   8.9031  595.280   26.335  562.296   27.764 32.98383 38.26718 
1 1 1    3   24   15 o  585.774   15.971   97.984   4.7324   97.326   5.5288   99.788   9.1526  583.083   16.627  588.465   27.273 -5.381714 31.94144 
1 1 1    3   24   17 o  882.743   15.549  224.201   7.8275  224.095   11.094  224.306   11.045  882.515   22.044  882.970   21.935 -0.4544067 31.09779 
1 1 1    3   24   19 f   73.777   24.499  -5.7635   2.6015  -9.0984   3.3211  -0.4673   4.1853   52.623   26.332   94.931   41.320 -42.30776 48.99749 
1 1 1    3   24   21 o  296.582   26.395   25.831   4.2156   24.884   5.1383   27.782   7.3729  290.555   31.010  302.609   42.723 -12.05426 52.79096 
1 1 1    3   24   23 o  130.014   38.142   2.8833   4.6706   4.4141   6.6860   1.4243   6.5274  137.957   55.481  122.071   52.355 15.88623 76.28348 
1 1 1    3   24   25 o   84.574   26.969  -1.3968   2.7884  -2.9091   3.9076   0.1722   3.9802   76.914   35.943   92.235   40.217 -15.32062 53.93848 
1 1 1    3   24   27 o  139.570   36.363   7.1348   3.7930   3.9696   7.6970   8.1500   4.3591  128.956   56.083  150.184   46.300 -21.22717 72.72558 
1 1 1    3   24   29 o  105.995   34.808   0.3105   5.1356  -2.6584   7.7291   2.6574   6.8719  100.008   47.843  111.983   50.571 -11.97524 69.61623 
1 1 1    3   24   31 o   80.729   25.577  -1.2880   2.7474   4.1469   3.8832  -6.7354   3.8877  102.422   41.879   59.035   29.374 43.38724 51.15361 
1 1 1    3   24   33 o   96.032   30.497   3.8505   3.2335   9.7409   5.7454   1.1197   3.9119  114.081   49.029   77.982   36.281 36.09982 60.99299 
1 1 1    3   25    2 o  524.239   21.845   79.503   6.1143   77.222   10.647   80.626   7.4685  517.922   36.048  530.556   24.684 -12.63391 43.68934 
1 1 1    3   25    4 o  815.756   20.511  194.144   8.8676  182.197   15.514  199.942   10.807  795.786   34.186  835.725   22.675 -39.93848 41.02188 
1 1 1    3   25    6 o  834.846   20.451  199.423   9.7367   0.0000   0.0000  199.423   9.7367  ?   ?   834.846   20.451      ?      ? 
1 1 1    3   25    8 o  338.580   46.945   33.352   9.0645   0.0000   0.0000   33.352   9.0645  ?   ?   338.580   46.945      ?      ? 
1 1 1    3   25   10 o  285.161   32.698   28.165   3.5263   18.740   8.7050   30.015   3.8569  246.637   61.967  323.685   20.894 -77.04813 65.39517 
1 1 1    3   25   12 o  507.959   16.833   73.104   4.4351   71.717   5.2498   76.563   8.2891  500.406   18.396  515.511   28.195 -15.10498 33.66585 
1 1 1    3   25   14 o  181.712   35.503   9.2670   3.6952   13.434   6.3174   7.1001   4.5559  208.741   52.979  154.683   47.276 54.05788 71.00519 
1 1 1    3   25   16 o  311.690   24.043   27.329   4.0114   31.274   7.2081   25.559   4.8282  326.364   38.728  297.015   28.504 29.34918 48.08681 
1 1 1    3   25   18 o  281.331   31.550   23.692   5.0617   23.889   7.1947   23.499   7.1226  282.475   44.662  280.186   44.576 2.289185 63.10067 
1 1 1    3   25   20 o  304.296   34.148   26.598   4.3527   32.964   10.752   25.350   4.7603  314.746   62.107  293.845   28.407 20.90137 68.29543 
1 1 1    3   25   22 o   86.045   27.256  -4.9639   2.9935 -10.1035   3.8801   2.5939   4.7051   57.069   28.543  115.021   46.441 -57.95187 54.51143 
1 1 1    3   25   24 o  121.883   36.829   2.2352   4.5665   3.6302   6.4372   0.8220   6.4791  128.250   53.324  115.517   50.815 12.73287 73.65851 
1 1 1    3   25   26 o  152.402   47.998   7.8468   8.6397   1.8175   14.570   11.116   10.730  142.768   67.548  162.037   68.208 -19.26834 95.99535 
1 1 1    3   25   28 o   91.419   29.397  -0.6715   3.4795  -3.9186   5.0066   2.3622   4.8393   79.797   38.262  103.041   44.640 -23.24420 58.79378 
1 1 1    3   25   30 o   84.862   27.919   0.1055   3.1769   0.2805   3.9479  -0.2159   5.3511   81.838   37.488   87.886   41.383 -6.048119 55.83828 
1 1 1    3   25   32 o   80.078   27.037  -0.1543   3.3663  -2.8159   4.3892   3.6475   5.2459   68.635   33.579   91.521   42.385 -22.88603 54.07383 
1 1 1    3   26    1 o  314.879   31.124   28.799   5.5731   31.350   7.8974   26.267   7.8657  329.021   42.089  300.736   45.863 28.28555 62.24842 
1 1 1    3   26    3 o  230.775   31.465   15.323   4.1410   0.0000   0.0000   15.323   4.1410  ?   ?   230.775   31.465      ?      ? 
1 1 1    3   26    5 o  799.229   23.198  183.090   10.574   0.0000   0.0000  183.090   10.574  ?   ?   799.229   23.198      ?      ? 
1 1 1    3   26    7 o  1064.64   19.650  333.435   10.170  311.302   20.418  340.736   11.728  1038.22   34.485  1091.06   18.848 -52.83228 39.30000 
1 1 1    3   26    9 o  494.027   24.194   70.851   6.4598   69.836   11.014   71.383   7.9757  490.160   39.401  497.893   28.089 -7.732666 48.38837 
1 1 1    3   26   11 o  522.160   17.251   79.422   4.8024   81.399   5.8758   75.445   8.3345  532.885   19.335  511.435   28.576 21.44928 34.50233 
1 1 1    3   26   13 o  305.921   28.274   27.562   4.8919   23.696   6.9434   31.372   6.8932  283.892   42.887  327.949   36.857 -44.05725 56.54861 
1 1 1    3   26   15 o  119.559   32.143   3.3397   2.8809  -0.5562   6.1653   4.4279   3.2585  115.045   50.112  124.073   40.266 -9.027870 64.28539 
1 1 1    3   26   17 o  176.875   40.069   9.5545   4.6682   12.207   6.6194   6.9299   6.5842  195.697   56.293  158.053   57.037 37.64420 80.13837 
1 1 1    3   26   19 o  208.754   34.144   12.535   3.7529   18.847   6.9184   9.9026   4.4673  241.087   51.859  176.421   44.428 64.66628 68.28792 
1 1 1    3   26   21 o  371.979   26.699   42.643   5.5931   50.657   8.0026   34.990   7.8203  408.582   34.345  335.377   40.888 73.20474 53.39827 
1 1 1    3   26   23 o  204.617   32.529   16.416   3.8004   20.531   4.5872   7.4094   6.7860  259.161   31.037  150.074   57.176 109.0867 65.05746 
1 1 1    3   26   27 o  109.912   35.624   0.3203   5.1463   5.9684   7.6296  -4.3948   6.9710  127.324   55.595   92.500   44.557 34.82339 71.24710 
1 1 1    3   26   29 o   79.971   26.675  -1.2027   3.0513   0.1110   4.9550  -2.0051   3.8727   87.452   40.736   72.491   34.450 14.96082 53.34977 
1 1 1    3   26   31 o   78.788   26.797  -0.3852   3.5274  -0.1469   4.7432  -0.6801   5.2765   78.451   37.517   79.124   38.274 -0.6727829 53.59458 
1 1 1    3   27    2 o  309.339   32.941   27.618   5.8112   0.0000   0.0000   27.618   5.8112  ?   ?   309.339   32.941      ?      ? 
1 1 1    3   27    4 o  250.823   37.313   18.235   5.3373   0.0000   0.0000   18.235   5.3373  ?   ?   250.823   37.313      ?      ? 
1 1 1    3   27    6 o  452.870   22.121   59.652   3.8988   58.617   10.541   59.816   4.1964  448.493   41.211  457.247   16.093 -8.754456 44.24178 
1 1 1    3   27    8 o  448.783   17.829   54.886   4.3668   48.214   5.3254   68.578   7.6294  409.716   22.792  487.849   27.423 -78.13400 35.65776 
1 1 1    3   27   10 o  554.777   20.862   85.451   5.1258   94.651   12.177   83.470   5.6508  569.928   37.466  539.626   18.362 30.30176 41.72363 
1 1 1    3   27   12 o  505.067   17.105   70.192   4.5025   81.937   8.5420   65.674   5.2984  531.972   28.157  478.163   19.430 53.80823 34.20985 
1 1 1    3   27   14 f  200.634   31.600   13.493   3.0302   14.558   3.4109   9.5029   6.6005  224.170   26.681  177.098   57.293 47.07217 63.20088 
1 1 1    3   27   16 f  187.911   27.360   10.871   2.8352   9.4736   3.9625   12.338   4.0585  174.699   40.553  201.123   36.738 -26.42387 54.71930 
1 1 1    3   27   18 o  113.459   29.833   2.5860   3.0985   5.9263   3.5454  -8.2146   6.3753  138.010   41.600   88.908   42.772 49.10280 59.66590 
1 1 1    3   27   20 o  112.826   30.077   3.2828   2.7002   1.1148   4.5074   4.4963   3.3723  103.927   44.002  121.725   41.015 -17.79784 60.15326 
1 1 1    3   27   22 o  166.023   40.191   9.8945   4.6887   7.2760   6.6596   12.468   6.6024  148.519   56.628  183.526   57.049 -35.00699 80.38222 
1 1 1    3   27   26 o  118.010   35.554   3.8106   4.4367   7.9332   6.2331  -0.4230   6.3166  136.370   53.990   99.649   46.275 36.72147 71.10790 
1 1 1    3   27   28 o   71.084   24.677  -5.2003   3.3875  -6.2125   5.3706  -4.5315   4.3655   73.004   35.999   69.164   33.763 3.839661 49.35407 
1 1 1    3   27   30 f   83.871   27.675   1.5218   3.2067   0.2523   5.6767   2.1167   3.8861   83.422   40.190   84.320   38.059 -0.8985748 55.35065 
1 1 1    3   28    3 o  875.832   19.767  217.405   8.9162  229.857   16.894  212.597   10.497  890.952   33.250  860.711   21.386 30.24072 39.53337 
1 1 1    3   28    5 f  381.722   23.211   39.429   3.5534   46.271   9.6713   38.361   3.8206  397.557   42.657  365.887   18.310 31.66962 46.42107 
1 1 1    3   28    7 o  439.155   21.974   51.730   4.0428   62.162   10.492   49.911   4.3810  461.066   39.904  417.243   18.412 43.82251 43.94704 
1 1 1    3   28    9 o  421.348   23.471   49.031   4.1816   55.773   10.581   47.783   4.5522  434.816   42.669  407.880   19.570 26.93576 46.94267 
1 1 1    3   28   11 o  414.862   27.397   48.642   6.2519   58.292   10.653   43.572   7.7215  443.846   42.086  385.878   35.088 57.96829 54.79411 
1 1 1    3   28   13 f  274.389   28.338   23.237   3.8817   21.134   7.0287   24.160   4.6561  260.670   49.082  288.108   28.338 -27.43777 56.67573 
1 1 1    3   28   15 o  101.268   31.457  -0.7860   3.5515  -5.5466   6.2685   1.4646   4.3100   95.934   45.052  106.601   43.916 -10.66718 62.91460 
1 1 1    3   28   17 o  106.156   32.727   0.1082   3.6733  -2.5048   6.3224   1.4397   4.5132  105.216   47.907  107.097   44.599 -1.881134 65.45322 
1 1 1    3   28   19 o  173.458   40.955   10.468   4.7607   9.8468   6.7255   11.091   6.7396  169.128   57.917  177.787   57.920 -8.658981 81.90906 
1 1 1    3   28   21 o  151.577   36.707   8.0779   3.7849   8.6790   4.6516   6.9000   6.5112  157.956   47.659  145.199   55.842 12.75636 73.41444 
1 1 1    3   28   25 o  141.549   38.551   7.6499   3.6881   12.173   8.7478   6.6720   4.0672  151.991   62.584  131.107   45.034 20.88397 77.10234 
1 1 1    3   28   27 o   95.819   27.777   2.4740   2.7521  -1.8325   4.2571   5.5661   3.6073   76.285   36.214  115.353   42.127 -39.06848 55.55339 
1 1 1    3   28   29 o  104.312   31.809   5.5963   3.2573   8.1925   5.7545   4.3723   3.9512  111.737   48.543   96.887   41.120 14.84946 63.61816 
1 1 1    3   29    2 o  172.781   42.094   9.1078   4.1094   0.0000   0.0000   9.1078   4.1094  ?   ?   172.781   42.094      ?      ? 
1 1 1    3   29    4 o  480.202   24.398   63.663   6.4125   79.940   11.126   55.565   7.8471  522.892   37.309  437.512   31.451 85.37955 48.79662 
1 1 1    3   29    6 o  499.194   22.410   67.836   5.5561   82.154   11.476   63.451   6.3500  529.266   38.020  469.122   23.735 60.14316 44.82062 
1 1 1    3   29    8 o  151.893   38.227   5.6549   3.2955   7.0263   8.4412   5.4083   3.5795  168.618   63.883  135.169   42.004 33.44916 76.45470 
1 1 1    3   29   10 o  122.642   33.266   1.0382   4.2037 -16.6455   8.2960   7.1474   4.8761   90.930   44.819  154.355   49.171 -63.42563 66.53237 
1 1 1    3   29   12 o  289.380   26.056   24.991   4.0561   25.253   4.9959   24.484   6.9477  293.609   29.837  285.152   42.724 8.456451 52.11138 
1 1 1    3   29   14 o  232.095   29.008   14.972   3.1683   13.631   3.5687   19.963   6.8840  215.098   29.092  249.092   50.195 -33.99474 58.01604 
1 1 1    3   29   16 o  137.600   31.537   5.6471   3.0081   8.5460   4.2487   2.7336   4.2594  162.308   44.549  112.891   44.651 49.41744 63.07427 
1 1 1    3   29   18 o  132.434   32.823   5.4035   3.1553   3.4464   4.6593   7.0612   4.2882  118.654   46.773  146.214   46.062 -27.55998 65.64628 
1 1 1    3   29   24 o   87.053   29.484  -3.5940   4.1795  -3.8269   5.9684  -3.3698   5.8547   86.828   41.671   87.278   41.722 -0.4501953 58.96749 
1 1 1    3   29   26 o   95.341   30.310   2.1848   3.4835   3.4011   4.2775  -0.2102   6.0024   99.473   42.515   91.208   43.212 8.264923 60.62041 
1 1 1    3   29   28 o   79.180   26.908  -0.3001   3.3683  -0.2268   4.0683  -0.4597   6.0057   75.488   35.709   82.872   40.262 -7.384705 53.81557 
1 1 1    3   30    1 o  196.991   38.709   12.392   4.3062   10.349   8.0593   13.209   5.0943  186.672   63.402  207.309   44.426 -20.63699 77.41779 
1 1 1    3   30    3 o  214.377   65.295   14.566   8.7013   0.0000   0.0000   14.566   8.7013  ?   ?   214.377   65.295      ?      ? 
1 1 1    3   30    5 o  734.565   22.816  161.333   8.8792  146.413   15.356  168.827   10.883  705.034   38.191  764.095   24.976 -59.06036 45.63265 
1 1 1    3   30    7 o  539.675   21.662   80.132   5.1904   93.161   12.403   77.367   5.7148  560.927   38.774  518.423   19.330 42.50409 43.32495 
1 1 1    3   30    9 f  134.012   39.160   0.5675   4.8331   7.2238   8.2181  -2.9518   5.9757  165.792   62.980  102.231   46.558 63.56020 78.32035 
1 1 1    3   30   11 o  139.855   39.096   3.6951   5.0069  -3.7190   8.4697   7.6777   6.2077  120.152   54.991  159.558   55.588 -39.40607 78.19218 
1 1 1    3   30   13 o  139.774   35.585   5.7217   3.4942   4.1847   6.5120   6.3432   4.1408  137.085   54.886  142.464   45.305 -5.379257 71.16933 
1 1 1    3   30   15 o  256.896   35.521   21.978   5.0170   22.842   7.1481   21.139   7.0434  262.466   49.572  251.326   50.887 11.14000 71.04153 
1 1 1    3   30   17 o  159.726   40.052   8.7253   4.6612   11.175   6.6205   6.3169   6.5638  175.617   57.415  143.834   55.858 31.78278 80.10388 
1 1 1    3   30   23 o   91.609   28.099   1.0781   2.9578   3.4558   3.3994  -6.3317   6.0011  102.714   40.112   80.505   39.360 22.20848 56.19795 
1 1 1    3   30   25 o  107.117   29.910   3.8758   3.4885  -6.1314   6.1532   8.6157   4.2348   77.534   38.288  136.700   45.962 -59.16666 59.82021 
1 1 1    3   30   27 o  123.545   33.922   9.9102   3.6972   7.7132   6.4404   10.990   4.5153  106.661   48.482  140.429   47.458 -33.76806 67.84380 
1 1 1    3   31    0 o  187.075   55.214   14.891   8.3333   14.891   8.3333   14.891   8.3333  187.075   78.084  187.075   78.084 -0.000000 0.000000 
1 1 1    3   31    2 o  460.841   22.977   61.447   4.2863   63.623   11.151   61.069   4.6431  460.903   42.422  460.779   17.669 0.1241455 45.95496 
1 1 1    3   31    4 o  316.695   36.647   29.738   6.6188   0.0000   0.0000   29.738   6.6188  ?   ?   316.695   36.647      ?      ? 
1 1 1    3   31    6 o  149.237   37.766   5.4321   3.0503   7.7047   8.4854   5.0948   3.2688  168.595   64.007  129.878   40.103 38.71661 75.53282 
1 1 1    3   31    8 o  278.909   38.775   25.432   5.6937   23.732   9.7755   26.304   7.0044  263.546   65.361  294.271   41.738 -30.72467 77.55048 
1 1 1    3   31   10 o  275.528   26.530   22.845   3.7916   22.653   4.5136   23.306   6.9885  276.937   28.579  274.119   44.705 2.818176 53.05926 
1 1 1    3   31   12 o  259.410   40.369   24.191   5.7042   18.426   9.6829   27.255   7.0591  222.999   69.049  295.822   41.843 -72.82283 80.73843 
1 1 1    3   31   14 o  172.298   33.826   10.914   3.5325   5.9933   6.6414   12.856   4.1715  143.813   56.093  200.784   37.818 -56.97122 67.65108 
1 1 1    3   31   16 o  101.893   33.019  -2.1060   4.3728  -0.1973   6.1848  -4.0138   6.1832  108.570   48.588   95.216   44.724 13.35384 66.03841 
1 1 1    3   31   20 o   86.999   29.098  -3.9585   3.4906   1.2702   6.1028  -6.5006   4.2553  107.125   48.080   66.873   32.789 40.25256 58.19662 
1 1 1    3   31   22 o  129.507   35.268   7.1121   3.5500   7.7162   6.3544   6.8380   4.2803  130.140   53.434  128.874   46.046 1.265961 70.53675 
1 1 1    3   31   24 o   98.254   29.397   3.4863   2.8759   2.4034   4.1700   4.4686   3.9715   92.278   40.673  104.229   42.455 -11.95083 58.79372 
1 1 1    3   31   26 o   78.052   26.740  -0.9447   3.2749   2.5238   5.9231  -2.4718   3.9303   89.266   42.476   66.838   32.495 22.42771 53.47957 
1 1 1    3   32    1 o  288.586   37.522   29.474   5.4538   19.049   9.3553   34.841   6.7124  235.162   66.688  342.010   34.415 -106.8482 75.04405 
1 1 1    3   32    3 o  445.379   26.930   58.685   6.4246   62.986   11.340   56.651   7.7967  453.283   43.867  437.474   31.251 15.80933 53.86053 
1 1 1    3   32    5 o   83.156   37.339  -1.3184   3.6849   0.0000   0.0000  -1.3184   3.6849  ?   ?    83.156   37.339      ?      ? 
1 1 1    3   32    7 o  290.562   36.131   28.110   4.7431   25.645   9.9904   28.827   5.3892  269.754   65.579  311.371   30.350 -41.61694 72.26157 
1 1 1    3   32    9 o  156.789   40.748   6.9760   4.1726   9.3044   8.9184   6.3235   4.7212  171.250   65.475  142.329   48.526 28.92107 81.49654 
1 1 1    3   32   11 o  211.026   43.695   15.735   5.3972   18.576   9.1845   14.236   6.6704  221.189   67.020  200.864   56.084 20.32512 87.39033 
1 1 1    3   32   13 o  223.099   43.356   18.805   5.5653   18.508   9.4420   18.963   6.8891  214.481   68.434  231.717   53.250 -17.23622 86.71106 
1 1 1    3   32   15 o  139.979   42.275   4.6604   6.1122   0.9350   8.6671   8.3463   8.6211  125.592   56.749  154.366   62.676 -28.77357 84.54980 
1 1 1    3   32   19 o  101.939   33.033   0.2424   4.3419   0.4816   6.1212   0.0003   6.1599  102.687   46.903  101.190   46.527 1.497040 66.06577 
1 1 1    3   32   21 o   88.811   29.198  -0.2810   3.4996  -1.9755   6.0252   0.5818   4.2991   89.521   42.664   88.100   39.873 1.420944 58.39587 
1 1 1    3   32   23 f   91.167   28.504   2.3633   2.9341   1.4399   4.1421   3.2934   4.1570   86.425   39.125   95.909   41.462 -9.483467 57.00729 
1 1 1    3   32   25 o   86.431   28.547   2.4023   3.2727   2.0854   3.8778   3.1869   6.1013   82.661   37.591   90.200   42.972 -7.538986 57.09396 
1 1 1    3   33    0 o  102.320   45.558   2.6733   7.9273   2.6733   7.9273   2.6733   7.9273  102.320   64.429  102.320   64.429 0.000000 0.000000 
1 1 1    3   33    2 o  603.281   23.160  105.176   7.5854  123.490   13.277   96.302   9.2424  636.945   36.551  569.616   28.452 67.32874 46.31905 
1 1 1    3   33    4 o  271.153   35.798   27.289   2.9368   19.955   9.9005   27.997   3.0753  231.433   69.462  310.874   17.346 -79.44144 71.59539 
1 1 1    3   33    6 o   77.975   37.533  -6.3403   4.9256   0.0000   0.0000  -6.3403   4.9256  ?   ?    77.975   37.533      ?      ? 
1 1 1    3   33    8 o  203.292   37.869   12.112   3.4061   18.370   9.1075   11.094   3.6727  219.267   66.806  187.317   35.683 31.95003 75.73828 
1 1 1    3   33   10 o  320.250   31.356   31.474   4.1746   36.838   10.139   30.379   4.5809  321.310   57.440  319.189   25.166 2.121368 62.71120 
1 1 1    3   33   12 f  200.923   35.758   16.467   3.9067   8.9193   9.0438   18.198   4.3317  158.963   64.316  242.882   31.273 -83.91893 71.51573 
1 1 1    3   33   14 o  101.516   34.414  -5.9954   5.7248  -5.4674   8.0158  -6.5451   8.1787  102.223   48.853  100.808   48.484 1.415520 68.82810 
1 1 1    3   33   16 f  119.834   39.173   0.7058   6.3513  -2.5584   8.9270   4.0519   9.0382  110.537   52.465  129.131   58.185 -18.59319 78.34613 
1 1 1    3   33   18 o   92.209   30.249  -2.9905   3.7560   4.2144   6.0991  -7.3923   4.7673  115.785   50.138   68.632   33.857 47.15318 60.49889 
1 1 1    3   33   20 o  114.801   33.341   4.9974   3.1259   4.1206   3.5931   7.7266   6.3393  104.855   41.157  124.747   52.465 -19.89224 66.68205 
1 1 1    3   33   22 o   88.697   29.890   0.2796   4.2246  -2.2272   6.0338   2.6902   5.9169   82.189   40.026   95.205   44.403 -13.01634 59.78068 
1 1 1    3   33   24 f   77.066   26.813  -3.4766   4.1747 -11.3219   5.9170   4.3001   5.8910   62.356   31.667   91.776   43.277 -29.41980 53.62552 
1 1 1    3   34    1 o  301.491   37.045   32.423   5.6133   25.700   9.6806   35.828   6.8898  262.128   65.063  340.854   35.444 -78.72577 74.09068 
1 1 1    3   34    3 o  153.948   38.263   7.2718   3.4898   8.6507   8.4315   6.9867   3.8336  162.253   63.225  145.644   43.113 16.60851 76.52596 
1 1 1    3   34    5 o  198.039   37.365   15.386   4.4388   7.7860   9.2501   17.659   5.0593  158.617   64.721  237.460   37.360 -78.84361 74.73047 
1 1 1    3   34    7 o  284.354   25.032   25.287   3.9179   25.394   4.9617   25.109   6.3851  288.569   30.150  280.140   39.967 8.428528 50.06384 
1 1 1    3   34    9 o  197.683   40.720   13.587   4.2857   17.810   9.1688   12.406   4.8479  205.872   67.581  189.494   45.446 16.37793 81.44017 
1 1 1    3   34   11 o  133.234   40.561   3.0923   5.9764   9.2941   8.2810  -3.6492   8.6338  155.805   62.057  110.664   52.248 45.14037 81.12267 
1 1 1    3   34   15 o  141.238   41.143   8.0235   4.8994   11.288   9.5532   6.8583   5.7071  150.376   63.885  132.100   51.864 18.27701 82.28666 
1 1 1    3   34   17 o  111.237   30.105   4.4696   2.6128   3.9383   3.3333   5.3161   4.2078  105.584   40.109  116.889   44.906 -11.30525 60.21045 
1 1 1    3   34   19 o   98.684   31.878   0.8432   4.2876  -5.4239   6.0549   7.1465   6.0723   78.570   38.642  118.797   50.712 -40.22742 63.75643 
1 1 1    3   34   21 o  112.604   35.172   8.0820   4.4714   6.2778   6.3104   9.9014   6.3368  105.190   47.882  120.017   51.533 -14.82717 70.34399 
1 1 1    3   35    0 o   70.672   30.869   1.4500   3.4625   1.4500   3.4625   1.4500   3.4625   70.672   43.655   70.672   43.655 -0.000000 0.000000 
1 1 1    3   35    2 o  147.113   34.749   7.8069   3.3381   3.8229   7.5502   8.7748   3.7215  132.362   56.526  161.864   40.434 -29.50223 69.49865 
1 1 1    3   35    4 o  157.641   41.756   8.4930   4.7385   11.547   8.6682   7.1914   5.6589  170.847   64.734  144.435   52.762 26.41188 83.51187 
1 1 1    3   35    6 o  206.116   43.331   14.550   4.9317   0.0000   0.0000   14.550   4.9317  ?   ?   206.116   43.331      ?      ? 
1 1 1    3   35    8 o  198.279   28.628   14.285   2.9892   10.226   5.1107   16.396   3.6853  165.814   49.939  230.744   28.006 -64.92984 57.25527 
1 1 1    3   35   10 o  136.941   34.474   6.3608   3.5177   3.4201   4.6877   10.151   5.3221  112.414   45.995  161.467   51.364 -49.05301 68.94747 
1 1 1    3   35   12 f  125.595   56.981   3.9375   8.8429   0.0000   0.0000   3.9375   8.8429  ?   ?   125.595   56.981      ?      ? 
1 1 1    3   35   14 o   88.850   30.460  -3.1054   4.0645  -2.2050   4.5583  -6.5985   8.9787   80.752   38.076   96.947   47.554 -16.19473 60.91926 
1 1 1    3   35   16 o  172.707   34.888   13.482   3.5067   13.681   6.6353   13.405   4.1307  158.220   57.233  187.194   39.912 -28.97394 69.77567 
1 1 1    3   35   18 o  108.934   31.080   5.4826   3.3842   0.0204   6.3476   7.6516   4.0000   90.437   43.289  127.432   44.609 -36.99445 62.16034 
1 1 1    3   35   20 o   96.318   30.879   4.5017   3.6269   4.2805   6.1847   4.6177   4.4777   95.447   44.800   97.189   42.510 -1.741982 61.75856 
1 1 1    3   36    1 o  284.535   34.116   30.012   3.3942   26.303   9.3615   30.574   3.6420  248.247   65.263  320.823   19.906 -72.57587 68.23135 
1 1 1    3   36    3 o  104.113   32.950   0.2962   4.0903  -2.5474   6.4592   2.2001   5.2851   98.638   46.133  109.587   47.059 -10.94949 65.89946 
1 1 1    3   36    5 o  209.659   46.577   20.237   6.2439   19.003   9.3017   21.249   8.4238  199.087   68.112  220.231   63.548 -21.14398 93.15358 
1 1 1    3   36    7 o  153.661   52.481   9.4906   5.5222   0.0000   0.0000   9.4906   5.5222  ?   ?   153.661   52.481      ?      ? 
1 1 1    3   36    9 o  140.508   33.207   8.3600   4.0799  -5.4618   8.6885   12.270   4.6210  100.656   48.792  180.359   45.057 -79.70306 66.41373 
1 1 1    3   36   11 o  127.407   57.340   6.3497   8.7470   0.0000   0.0000   6.3497   8.7470  ?   ?   127.407   57.340      ?      ? 
1 1 1    3   36   13 o  132.809   38.083   3.8380   4.9717   20.141   8.4023  -4.9452   6.1672  182.826   64.600   82.792   40.352 100.0342 76.16696 
1 1 1    3   36   15 o  193.692   38.625   19.749   4.3145   21.887   9.2834   19.160   4.8727  166.882   65.946  220.502   40.232 -53.61987 77.24960 
1 1 1    3   36   17 o  123.599   29.622   7.4120   2.9104   3.0042   4.3950   10.854   3.8840   92.266   41.149  154.932   42.623 -62.66608 59.24493 
1 1 1    3   36   19 o  103.682   30.428   6.1489   2.9805   6.8823   4.1280   5.3502   4.3080  108.902   43.665   98.463   42.388 10.43930 60.85544 
1 1 1    3   37    0 o  122.958   50.318   9.2015   8.1128   9.2015   8.1128   9.2015   8.1128  122.958   71.161  122.958   71.161 -0.000000 0.000000 
1 1 1    3   37    2 o  201.841   37.809   16.788   5.8447   1.8682   8.1059   32.945   8.4352  116.444   53.479  287.238   53.462 -170.7936 75.61806 
1 1 1    3   37    4 o  150.267   41.555   10.030   5.2945   6.0985   7.1387   14.837   7.8930  128.374   54.897  172.160   62.400 -43.78600 83.11064 
1 1 1    3   37    6 o  145.976   36.288   8.9083   3.4180   8.7520   8.6657   8.9370   3.7196  137.381   59.627  154.572   41.377 -17.19077 72.57652 
1 1 1    3   37    8 o  113.459   48.008   4.4821   5.3600   0.0000   0.0000   4.4821   5.3600  ?   ?   113.459   48.008      ?      ? 
1 1 1    3   37   10 o  116.574   48.224   5.6408   5.2265   0.0000   0.0000   5.6408   5.2265  ?   ?   116.574   48.224      ?      ? 
1 1 1    3   37   12 o  106.696   32.321   4.6108   3.6659  -1.6670   8.4995   6.0455   4.0633   96.348   47.050  117.044   44.327 -20.69559 64.64182 
1 1 1    3   37   14 o   97.408   32.811   2.6103   4.9224   2.5713   8.2917   2.6316   6.1168   99.049   47.928   95.766   44.823 3.282570 65.62133 
1 1 1    3   37   16 o   90.046   30.924   1.9632   4.8975   1.7565   8.3409   2.0720   6.0504   91.322   44.999   88.769   42.429 2.552841 61.84723 
1 1 1    3   38    1 o  118.516   37.733   4.6839   5.4531   8.4325   7.8194   1.1346   7.6087  130.962   56.740  106.070   49.755 24.89271 75.46548 
1 1 1    3   38    3 o  108.589   31.614   4.1536   2.9254   2.7382   6.6106   4.4983   3.2622  107.307   48.908  109.870   40.071 -2.562683 63.22731 
1 1 1    3   38    5 o   94.952   30.775  -0.4763   4.1580  -7.9743   6.5355   4.6226   5.3894   78.780   39.005  111.125   47.614 -32.34515 61.55097 
1 1 1    3   38    7 o  134.872   51.427   9.1772   5.4928   0.0000   0.0000   9.1772   5.4928  ?   ?   134.872   51.427      ?      ? 
1 1 1    3   38    9 o  193.826   29.628   12.951   3.2750   0.0000   0.0000   12.951   3.2750  ?   ?   193.826   29.628      ?      ? 
1 1 1    3   38   11 o  122.646   33.490   8.9204   4.0985   0.2107   8.7053   11.401   4.6456   95.146   46.701  150.145   48.013 -54.99891 66.97945 
1 1 1    3   38   13 o   84.666   29.435  -0.9516   4.7747  -0.6559   8.1172  -1.1080   5.9042   88.046   43.571   81.286   39.588 6.759842 58.86955 
1 1 1    3   38   15 o   64.342   22.581  -4.3405   3.1286  -5.1271   4.2143  -3.3748   4.6697   61.077   30.421   67.606   33.380 -6.529381 45.16267 
1 1 1    3   39    0 o   66.934   33.488  -3.7499   7.4229  -3.7499   7.4229  -3.7499   7.4229   66.934   47.359   66.934   47.359 -0.000000 0.000000 
1 1 1    3   39    2 o  126.929   37.909   9.4074   4.6348   10.651   7.6214   8.6775   5.8384  128.066   55.751  125.792   51.384 2.274063 75.81886 
1 1 1    3   39    4 o  217.077   52.218   22.857   6.3856   0.0000   0.0000   22.857   6.3856  ?   ?   217.077   52.218      ?      ? 
1 1 1    3   39    6 o   94.493   43.504   2.5521   5.4094   0.0000   0.0000   2.5521   5.4094  ?   ?    94.493   43.504      ?      ? 
1 1 1    3   39    8 o  111.849   29.027   6.5861   3.2963  -8.5194   8.6209   9.1727   3.5674   80.814   40.706  142.885   41.391 -62.07084 58.05332 
1 1 1    3   39   10 o  116.035   48.721   8.8898   5.4520   0.0000   0.0000   8.8898   5.4520  ?   ?   116.035   48.721      ?      ? 
1 1 1    3   39   12 o  112.215   34.616   8.2347   3.5733   16.768   8.5582   6.4330   3.9325  118.408   54.590  106.023   42.581 12.38451 69.23251 
1 1 1    3   40    1 f  164.038   46.242   26.849   6.6084   24.424   9.4583   29.163   9.2371  151.455   63.912  176.621   66.848 -25.16611 92.48452 
1 1 1    3   40    3 o  144.051   53.848   14.137   5.9539   0.0000   0.0000   14.137   5.9539  ?   ?   144.051   53.848      ?      ? 
1 1 1    3   40    5 o   93.022   31.135   3.1811   4.2665   6.8414   6.7264   0.7170   5.5188  102.419   47.625   83.625   40.116 18.79465 62.26963 
1 1 1    3   40    7 o   83.273   28.966   0.0839   4.4489   2.1720   8.1188  -0.8122   5.3185   89.121   44.005   77.424   37.678 11.69680 57.93152 
1 1 1    4    0    0 o  1146.66   15.281  375.447   14.121  375.447   14.121  375.447   14.121  1146.66   21.611  1146.66   21.611 0.000000 0.000000 
1 1 1    4    0    2 o  242.581   15.471   17.197   2.9702   17.197   2.9702   17.197   2.9702  242.581   21.880  242.581   21.880 0.000000 0.000000 
1 1 1    4    0    4 o  298.996   7.5488   25.593   1.8151   25.593   1.8151   25.593   1.8151  298.996   10.676  298.996   10.676 0.000000 0.000000 
1 1 1    4    0    6 o  978.735   14.992  273.660   11.821  273.660   11.821  273.660   11.821  978.735   21.202  978.735   21.202 0.000000 0.000000 
1 1 1    4    0    8 o  1106.98   12.369  349.783   11.037  349.783   11.037  349.783   11.037  1106.98   17.492  1106.98   17.492 0.000000 0.000000 
1 1 1    4    0   10 o  1298.02   12.656  480.868   13.243  480.868   13.243  480.868   13.243  1298.02   17.898  1298.02   17.898 -0.000000 0.000000 
1 1 1    4    0   12 f  407.787   14.714   47.818   4.8106   47.818   4.8106   47.818   4.8106  407.787   20.809  407.787   20.809 0.000000 0.000000 
1 1 1    4    0   14 o  261.008   11.633   19.670   2.4264   19.670   2.4264   19.670   2.4264  261.008   16.451  261.008   16.451 -0.000000 0.000000 
1 1 1    4    0   16 o  274.248   8.9340   21.597   1.9665   21.597   1.9665   21.597   1.9665  274.248   12.635  274.248   12.635 0.000000 0.000000 
1 1 1    4    0   18 o  291.128   11.880   24.442   2.7681   24.442   2.7681   24.442   2.7681  291.128   16.801  291.128   16.801 0.000000 0.000000 
1 1 1    4    0   20 o   92.077   30.888   3.5693   2.6084   3.5693   2.6084   3.5693   2.6084   92.077   43.682   92.077   43.682 0.000000 0.000000 
1 1 1    4    0   22 o  735.763   9.4966  154.609   5.6311  154.609   5.6311  154.609   5.6311  735.763   13.430  735.763   13.430 -0.000000 0.000000 
1 1 1    4    0   24 o  406.609   14.544   47.569   4.7415   47.569   4.7415   47.569   4.7415  406.609   20.568  406.609   20.568 0.000000 0.000000 
1 1 1    4    0   26 o  426.032   19.689   52.593   6.6989   52.593   6.6989   52.593   6.6989  426.032   27.845  426.032   27.845 0.000000 0.000000 
1 1 1    4    0   28 o  181.898   36.107   11.534   4.5848   11.534   4.5848   11.534   4.5848  181.898   51.063  181.898   51.063 0.000000 0.000000 
1 1 1    4    0   30 o  154.942   45.463   9.9206   5.6557   9.9206   5.6557   9.9206   5.6557  154.942   64.294  154.942   64.294 0.000000 0.000000 
1 1 1    4    0   32 o   87.026   35.680   2.8952   4.0910   2.8952   4.0910   2.8952   4.0910   87.026   50.459   87.026   50.459 -0.000000 0.000000 
1 1 1    4    0   34 o  152.406   55.921   11.898   8.9019   11.898   8.9019   11.898   8.9019  152.406   79.084  152.406   79.084 -0.000000 0.000000 
1 1 1    4    0   36 o  100.384   41.648   4.7915   5.6813   4.7915   5.6813   4.7915   5.6813  100.384   58.899  100.384   58.899 -0.000000 0.000000 
1 1 1    4    0   38 o   36.803   18.934  -6.3262   3.2140  -6.3262   3.2140  -6.3262   3.2140   36.803   26.777   36.803   26.777 -0.000000 0.000000 
1 1 1    4    0   40 o  103.354   38.380   6.7664   4.2314   6.7664   4.2314   6.7664   4.2314  103.354   54.278  103.354   54.278 -0.000000 0.000000 
1 1 1    4    1    1 o  295.197   11.185   24.687   1.3536   24.608   1.4692   25.127   3.4817  293.735   8.7704  296.658   20.580 -2.922058 22.37096 
1 1 1    4    1    3 o  642.888   20.958  117.993   7.6839   0.0000   0.0000  117.993   7.6839  ?   ?   642.888   20.958      ?      ? 
1 1 1    4    1    5 o  447.648   14.892   57.201   3.8016   57.861   5.3803   56.543   5.3724  450.230   20.955  445.066   21.166 5.163879 29.78451 
1 1 1    4    1    7 o  1216.15   10.898  421.931   7.5586  420.392   10.690  423.471   10.689  1213.93   15.441  1218.36   15.384 -4.438599 21.79683 
1 1 1    4    1    9 o  323.826   8.4608   30.150   1.4008   30.458   1.6534   29.366   2.6366  326.804   8.8716  320.847   14.410 5.957031 16.92162 
1 1 1    4    1   11 o  528.935   14.595   79.864   4.4025   80.339   6.2246   79.389   6.2277  530.511   20.574  527.359   20.707 3.151550 29.19072 
1 1 1    4    1   13 f  626.134   8.9667  111.868   3.2017  112.579   4.5212  111.153   4.5346  628.131   12.621  624.136   12.740 3.994690 17.93341 
1 1 1    4    1   15 o  421.408   7.7226   50.873   1.8331   49.394   2.7999   51.982   2.4251  415.998   11.802  426.817   9.9631 -10.81857 15.44526 
1 1 1    4    1   17 o  629.430   14.275  112.769   5.0041  110.477   6.3903  116.402   8.0459  621.461   18.031  637.398   22.135 -15.93616 28.54912 
1 1 1    4    1   19 o  617.629   12.817  107.613   4.0853  112.607   7.7040  105.659   4.8186  627.075   21.543  608.182   13.893 18.89349 25.63425 
1 1 1    4    1   21 o  111.532   23.509   3.4862   1.5537   3.1235   1.9279   4.1583   2.6242  103.527   30.555  119.538   35.736 -16.01050 47.01730 
1 1 1    4    1   23 o  146.126   23.883   6.3795   1.9821   4.4378   2.7673   8.4254   2.8405  123.425   36.651  168.827   30.631 -45.40218 47.76571 
1 1 1    4    1   25 o  417.636   14.023   50.506   3.2874   45.644   4.9639   54.305   4.3876  399.378   21.794  435.893   17.650 -36.51447 28.04501 
1 1 1    4    1   27 o  147.866   35.881   5.7537   3.6068   4.8405   4.6779   7.0923   5.6639  136.655   48.210  159.077   53.156 -22.42204 71.76195 
1 1 1    4    1   29 o  254.198   24.033   18.728   3.4532   18.305   4.5676   19.293   5.2758  251.155   31.890  257.241   35.963 -6.086411 48.06548 
1 1 1    4    1   31 f  129.852   31.650   3.0642   3.3780   8.9033   4.8225  -2.5607   4.7333  168.830   47.881   90.874   41.405 77.95518 63.30091 
1 1 1    4    1   33 o   75.358   24.909  -4.0188   2.7566  -1.0590   3.8542  -7.1182   3.9441   85.981   38.426   64.735   31.705 21.24542 49.81725 
1 1 1    4    1   35 o  146.546   43.049   6.3557   5.9176   6.8731   8.6198   5.8945   8.1383  149.363   61.871  143.729   59.875 5.634308 86.09884 
1 1 1    4    1   37 o   97.013   28.635   1.4374   2.6728   4.4081   4.2133  -0.5631   3.4575  114.967   44.723   79.059   35.772 35.90793 57.26940 
1 1 1    4    1   39 o  103.573   29.218   3.2349   2.9675   7.8943   4.2217  -1.3155   4.1720  130.375   45.818   76.771   36.268 53.60442 58.43517 
1 1 1    4    2    0 o  1046.31   15.153  312.769   12.774  312.769   12.774  312.769   12.774  1046.31   21.429  1046.31   21.429 0.000000 0.000000 
1 1 1    4    2    2 o  578.167   14.591   95.434   4.8108   94.681   6.8046   96.186   6.8025  575.884   20.719  580.449   20.550 -4.564575 29.18189 
1 1 1    4    2    4 o  1338.86   19.227  511.721   13.850  510.965   16.970  513.229   23.969  1337.80   22.244  1339.93   31.367 -2.130493 38.45373 
1 1 1    4    2    6 o  2166.87   15.578  1343.47   18.847  1323.92   29.754  1356.58   24.357  2153.44   24.228  2180.30   19.589 -26.85693 31.15671 
1 1 1    4    2    8 o  1744.82   13.373  868.695   13.307  868.282   18.821  869.107   18.817  1744.40   18.919  1745.23   18.906 -0.8291016 26.74632 
1 1 1    4    2   10 o  1315.65   14.152  494.346   10.413  495.738   13.478  492.284   16.401  1318.06   17.931  1313.23   21.900 4.835083 28.30361 
1 1 1    4    2   12 o  716.914   12.088  146.698   4.9422  146.027   6.9922  147.368   6.9865  715.275   17.141  718.554   17.049 -3.279114 24.17657 
1 1 1    4    2   14 o  1229.24   12.579  431.642   8.8179  432.138   12.477  431.148   12.464  1229.95   17.788  1228.54   17.790 1.410522 25.15725 
1 1 1    4    2   16 o  436.692   11.662   54.229   2.8762   52.606   3.7863   56.443   4.4224  429.071   15.474  444.314   17.453 -15.24301 23.32477 
1 1 1    4    2   18 o  286.625   14.599   23.536   2.3853   22.979   3.3954   24.079   3.3516  283.252   21.019  289.998   20.266 -6.746674 29.19799 
1 1 1    4    2   20 o  320.054   14.943   29.349   2.7239   30.093   3.7878   28.551   3.9199  324.301   20.481  315.807   21.765 8.492950 29.88618 
1 1 1    4    2   22 o  784.042   9.9752  174.597   4.4438  165.429   5.9804  185.898   6.6400  761.206   13.776  806.877   14.430 -45.67041 19.95045 
1 1 1    4    2   24 o  730.362   12.040  152.285   5.0126  146.528   6.9895  158.382   7.1927  716.152   17.114  744.573   16.939 -28.42035 24.07947 
1 1 1    4    2   26 o  456.602   17.093   58.538   4.3680   53.823   5.5755   66.030   7.0284  433.447   22.556  479.757   25.689 -46.31018 34.18559 
1 1 1    4    2   28 o  350.399   19.414   35.585   3.8499   37.431   5.2220   33.387   5.6982  360.678   25.388  340.120   29.377 20.55820 38.82751 
1 1 1    4    2   30 o  322.250   20.155   29.974   3.6766   25.238   5.0209   35.449   5.3984  294.673   29.878  349.828   27.060 -55.15512 40.31024 
1 1 1    4    2   32 o  116.281   30.960   3.0482   3.0415   5.4011   3.6673  -2.1356   5.4434  133.376   42.659   99.186   44.881 34.18986 61.92027 
1 1 1    4    2   34 o  133.653   32.783   5.5439   2.9391   5.4675   3.5886   5.6995   5.1225  130.809   42.237  136.497   50.148 -5.688034 65.56501 
1 1 1    4    2   36 o  204.367   33.306   15.071   3.7961   15.343   5.5597   14.834   5.1957  204.935   48.352  203.799   45.818 1.136307 66.61230 
1 1 1    4    2   38 o  100.077   29.619   2.9547   2.8479   2.3432   4.1535   3.4973   3.9123   96.935   41.674  103.219   42.101 -6.283195 59.23893 
1 1 1    4    2   40 o   93.688   29.795   3.5224   3.3250   3.4048   4.4931   3.6647   4.9438   92.892   41.504   94.483   42.761 -1.591606 59.59050 
1 1 1    4    3    1 o  1070.92   15.154  327.435   9.2547  329.091   13.089  325.780   13.087  1073.63   21.378  1068.21   21.483 5.421875 30.30718 
1 1 1    4    3    3 o  677.230   14.623  130.927   5.6476  131.715   7.9864  130.139   7.9873  679.270   20.617  675.190   20.743 4.080322 29.24606 
1 1 1    4    3    5 o  212.250   12.170   13.165   0.9827   13.275   1.0543   12.440   2.7122  215.747   8.5689  208.753   22.782 6.993774 24.34045 
1 1 1    4    3    7 o  1229.51   12.659  431.324   8.8763  432.921   12.557  429.729   12.549  1231.79   17.876  1227.24   17.930 4.552368 25.31855 
1 1 1    4    3    9 o  1592.75   12.071  725.009   10.849  732.312   14.377  715.352   16.533  1602.15   15.736  1583.35   18.310 18.80676 24.14231 
1 1 1    4    3   11 o  1341.99   15.561  514.211   11.909  514.489   16.849  513.934   16.835  1342.35   22.010  1341.62   22.003 0.7243652 31.12199 
1 1 1    4    3   13 o  962.326   10.620  264.351   5.8277  269.148   8.2490  259.572   8.2343  971.049   14.896  953.603   15.141 17.44604 21.24033 
1 1 1    4    3   15 o  366.361   12.695   38.373   2.6517   37.403   3.7495   39.342   3.7505  361.721   18.176  371.001   17.726 -9.280518 25.38909 
1 1 1    4    3   17 o  485.777   8.1864   67.988   2.2330   63.511   3.4080   71.356   2.9560  471.572   12.672  499.982   10.367 -28.40961 16.37277 
1 1 1    4    3   19 o  913.984   12.451  238.824   6.4822  239.957   9.4051  237.800   8.9466  915.989   18.005  911.980   17.202 4.008972 24.90126 
1 1 1    4    3   21 o  497.046   12.777   70.120   3.6035   75.400   5.4375   65.985   4.8118  513.579   18.565  480.512   17.559 33.06726 25.55386 
1 1 1    4    3   23 o  453.865   12.536   58.798   3.2339   58.194   4.3864   59.517   4.7865  451.348   17.041  456.382   18.391 -5.034668 25.07232 
1 1 1    4    3   25 o  631.005   14.130  113.721   5.0627   99.760   7.0100  128.942   7.3195  590.500   20.816  671.509   19.113 -81.00842 28.26025 
1 1 1    4    3   27 f  132.037   31.552   4.7131   2.8095   4.2028   3.7580   5.3597   4.2303  125.565   43.279  138.509   45.925 -12.94440 63.10454 
1 1 1    4    3   29 o  299.443   17.617   25.899   2.9879   26.254   4.0150   25.459   4.4732  301.950   23.316  296.935   26.416 5.014374 35.23403 
1 1 1    4    3   31 f  234.634   25.250   16.698   3.2302   15.149   4.9251   17.867   4.2791  222.267   40.341  247.001   30.378 -24.73409 50.49967 
1 1 1    4    3   33 f   82.591   27.259  -3.4680   3.0944  -4.1542   4.0229  -2.4737   4.8424   74.733   35.398   90.450   41.464 -15.71738 54.51881 
1 1 1    4    3   35 o  101.614   29.660   1.9361   2.7881   2.6058   3.6071   0.9423   4.3941  103.933   41.096   99.295   42.777 4.638412 59.31915 
1 1 1    4    3   37 o  121.881   30.855   5.1075   2.8767   7.8047   4.1148   2.5290   4.0233  142.808   45.136  100.955   42.081 41.85327 61.70914 
1 1 1    4    3   39 o   72.458   24.306  -2.4392   2.7637  -5.4453   3.8563   0.7354   3.9629   61.610   30.404   83.306   37.930 -21.69620 48.61115 
1 1 1    4    4    0 o  1571.45   16.060  705.071   20.344  705.071   20.344  705.071   20.344  1571.45   22.712  1571.45   22.712 -0.000000 0.000000 
1 1 1    4    4    2 o  1554.31   16.027  689.767   14.206  686.781   20.089  692.753   20.091  1550.94   22.713  1557.68   22.617 -6.736694 32.05334 
1 1 1    4    4    4 o  1454.63   19.263  604.311   15.038  604.388   26.137  604.273   18.386  1454.30   31.515  1454.96   22.159 -0.6640625 38.52523 
1 1 1    4    4    6 o  935.219   17.520  249.380   8.0904  250.329   16.198  249.065   9.3387  936.121   30.341  934.317   17.527 1.803650 35.03967 
1 1 1    4    4    8 o  1193.70   12.644  406.576   8.6072  410.505   12.175  402.650   12.170  1199.47   17.798  1187.93   17.964 11.53809 25.28822 
1 1 1    4    4   10 o  930.948   14.897  247.395   7.9088  247.275   11.191  247.515   11.178  930.721   21.084  931.175   21.050 -0.4540405 29.79339 
1 1 1    4    4   12 o  741.230   10.294  157.083   4.3242  154.063   6.4553  159.540   5.8240  734.721   15.406  747.739   13.658 -13.01813 20.58851 
1 1 1    4    4   14 o  991.910   13.858  280.798   7.6876  279.000   9.9278  283.490   12.149  988.186   17.617  995.635   21.397 -7.448914 27.71633 
1 1 1    4    4   16 o  478.821   10.222   63.859   2.3610   62.479   2.6828   68.598   4.9717  467.878   10.054  489.763   17.800 -21.88492 20.44341 
1 1 1    4    4   18 o  145.395   14.575   6.0422   1.2074   6.3430   1.7517   5.7698   1.6665  148.836   20.637  141.953   20.586 6.882950 29.14934 
1 1 1    4    4   20 o  677.371   10.209  130.730   3.8969  129.013   5.1159  133.103   6.0147  672.167   13.346  682.575   15.452 -10.40747 20.41728 
1 1 1    4    4   22 o  494.612   11.969   70.278   3.2367   68.493   5.3738   71.294   4.0547  489.522   19.249  499.701   14.229 -10.17917 23.93725 
1 1 1    4    4   24 o  327.234   14.098   29.385   2.5753   24.564   3.2639   37.337   4.1918  293.123   19.525  361.346   20.342 -68.22302 28.19581 
1 1 1    4    4   26 o  109.180   26.439   1.1514   2.3293  -2.3829   2.9936   6.5736   3.7080   69.786   32.213  148.573   41.932 -78.78742 52.87705 
1 1 1    4    4   28 o  294.075   20.739   25.437   3.2688   26.436   4.0370   23.536   5.5700  303.283   23.341  284.866   34.286 18.41748 41.47712 
1 1 1    4    4   30 o  212.068   23.678   13.463   2.7613   15.286   3.8325   11.496   3.9820  229.336   29.303  194.801   37.201 34.53560 47.35601 
1 1 1    4    4   32 o  117.185   35.827   0.1007   4.4627   2.5359   6.3550  -2.2685   6.2684  128.155   53.108  106.215   48.102 21.94072 71.65429 
1 1 1    4    4   34 o  199.214   28.726   12.849   3.2067   10.568   4.5186   15.164   4.5515  177.514   44.671  220.913   36.128 -43.39845 57.45160 
1 1 1    4    4   36 o  163.185   30.606   8.6335   3.1901   16.065   5.0215   3.6046   4.1309  214.687   42.518  111.683   44.036 103.0043 61.21239 
1 1 1    4    4   38 o   92.238   29.621   0.1115   3.2908  -2.1178   4.1569   3.8537   5.3859   76.237   36.073  108.238   46.993 -32.00124 59.24178 
1 1 1    4    4   40 o   64.991   22.703  -4.8365   3.0862  -2.6194   4.2855  -7.2249   4.4480   69.485   33.816   60.497   30.301 8.988026 45.40597 
1 1 1    4    5    1 o  1614.99   16.146  744.647   14.870  752.079   21.031  737.218   21.027  1623.06   22.721  1606.92   22.945 16.13550 32.29123 
1 1 1    4    5    3 o  1840.47   16.615  967.049   17.439  973.665   24.666  960.435   24.660  1846.77   23.420  1834.17   23.575 12.60437 33.23072 
1 1 1    4    5    5 o  2061.56   24.442  1214.75   28.736  1221.02   40.653  1208.49   40.625  2066.88   34.489  2056.23   34.644 10.65039 48.88499 
1 1 1    4    5    7 o  1512.36   19.773  655.222   16.033  647.209   27.835  659.202   19.614  1505.01   32.431  1519.70   22.632 -14.68872 39.54665 
1 1 1    4    5    9 f  1983.95   16.813  1123.80   19.022  1123.03   26.908  1124.56   26.895  1983.28   23.790  1984.62   23.763 -1.348877 33.62547 
1 1 1    4    5   11 o  1120.63   13.888  358.461   8.7081  358.162   11.271  358.905   13.715  1120.18   17.644  1121.07   21.453 -0.8900146 27.77652 
1 1 1    4    5   13 o  473.099   10.926   63.767   2.8104   64.360   4.7672   63.451   3.4793  474.690   17.610  471.509   12.939 3.180817 21.85261 
1 1 1    4    5   15 o  483.476   10.639   66.956   2.6901   67.225   3.2202   66.333   4.8938  485.276   11.636  481.676   17.816 3.600311 21.27881 
1 1 1    4    5   17 o  369.549   11.470   39.045   2.4170   38.956   3.4377   39.131   3.3990  369.129   16.330  369.969   16.110 -0.8397827 22.93943 
1 1 1    4    5   19 o  673.083   11.728  128.595   4.4606  123.245   5.8706  135.902   6.8612  656.722   15.675  689.443   17.451 -32.72021 23.45690 
1 1 1    4    5   21 o  1031.96   13.591  301.054   7.8566  321.957   12.506  287.427   10.098  1061.02   20.669  1002.91   17.655 58.10840 27.18285 
1 1 1    4    5   23 o  116.493   29.142   3.1194   2.5289   1.1399   3.5829   5.0846   3.5699   99.415   40.390  133.571   42.020 -34.15644 58.28395 
1 1 1    4    5   25 o  487.083   14.024   67.319   3.8400   64.779   4.9834   71.031   6.0247  475.977   18.359  498.189   21.206 -22.21140 28.04866 
1 1 1    4    5   27 o  181.893   25.590   8.4939   2.6124   3.7985   3.2283   17.402   4.4466  118.331   40.128  245.454   31.766 -127.1239 51.17985 
1 1 1    4    5   29 o  173.566   28.938   8.5624   3.2034   2.5894   4.3579   15.584   4.7248  116.234   45.410  230.898   35.882 -114.6640 57.87548 
1 1 1    4    5   31 o  157.504   32.236   6.7551   3.5515   0.8867   4.8833   13.344   5.1745  108.835   45.925  206.174   45.251 -97.33965 64.47278 
1 1 1    4    5   33 o   93.942   31.212  -3.6225   3.9110  -1.9586   4.5283  -8.5079   7.7592   88.967   40.522   98.917   47.483 -9.950348 62.42316 
1 1 1    4    5   35 o   89.405   27.213  -2.0344   2.9868   3.6582   4.0421  -8.8802   4.4327  113.994   43.955   64.815   32.097 49.17822 54.42651 
1 1 1    4    5   37 o  116.199   30.756   0.7177   3.2506  -5.1901   4.0393   11.575   5.4759   67.304   32.771  165.094   52.056 -97.79010 61.51261 
1 1 1    4    5   39 o   88.175   27.770   1.3984   3.0163  -2.1937   4.6491   4.0095   3.9638   76.163   36.612  100.187   41.765 -24.02343 55.54054 
1 1 1    4    6    0 o  180.571   15.816   9.7215   2.2083   9.7215   2.2083   9.7215   2.2083  180.571   22.367  180.571   22.367 -0.000000 0.000000 
1 1 1    4    6    2 o  2686.84   18.930  2061.56   29.006  2064.64   41.021  2058.48   41.020  2688.85   26.751  2684.83   26.791 4.017090 37.86023 
1 1 1    4    6    4 o  1563.26   16.096  697.539   14.349  694.997   20.299  700.077   20.286  1560.41   22.811  1566.11   22.714 -5.699341 32.19123 
1 1 1    4    6    6 o  420.395   18.121   50.478   4.1010   50.403   7.0821   50.515   5.0301  420.073   29.562  420.717   20.965 -0.6440125 36.24179 
1 1 1    4    6    8 o  456.879   10.349   59.635   2.6258   59.931   3.3562   59.167   4.2160  458.369   12.839  455.388   16.234 2.981506 20.69758 
1 1 1    4    6   10 o  795.462   13.593  180.844   6.0470  181.754   7.8306  179.499   9.5175  798.031   17.206  792.893   21.048 5.138367 27.18594 
1 1 1    4    6   12 o  1354.54   15.932  524.440   12.307  525.846   17.410  523.035   17.399  1356.36   22.508  1352.72   22.554 3.637695 31.86315 
1 1 1    4    6   14 o  273.240   7.0892   21.073   1.0926   22.827   1.6992   19.836   1.4267  282.818   10.535  263.663   9.4886 19.15472 14.17833 
1 1 1    4    6   16 o  111.412   16.445   3.5671   1.0024   4.6276   1.5752   2.8455   1.2994  125.135   22.918   97.690   23.591 27.44537 32.88992 
1 1 1    4    6   18 o  113.337   16.854   3.7531   1.0804   2.5379   1.4856   5.1176   1.5742   92.971   26.646  133.703   20.646 -40.73138 33.70841 
1 1 1    4    6   20 o  411.453   11.032   48.310   2.5341   48.618   4.0236   48.107   3.2623  412.464   17.106  410.442   13.937 2.021973 22.06470 
1 1 1    4    6   22 o  414.518   15.681   49.150   3.6914   55.298   5.2998   43.357   5.1446  439.756   21.133  389.281   23.174 50.47525 31.36244 
1 1 1    4    6   24 o  977.962   13.353  273.428   7.4470  274.856   10.494  271.980   10.570  980.549   18.766  975.375   19.002 5.174805 26.70661 
1 1 1    4    6   26 o  213.494   23.651   13.465   2.6990   12.886   4.4078   13.813   3.4137  207.754   38.625  219.234   27.304 -11.47952 47.30129 
1 1 1    4    6   28 o  192.826   29.570   10.532   3.4387   3.8497   4.5572   19.366   5.2400  127.570   47.224  258.081   35.602 -130.5112 59.14063 
1 1 1    4    6   30 o  198.153   36.040   12.931   4.0921   9.2511   6.8967   14.930   5.0837  175.432   58.656  220.874   41.892 -45.44160 72.07971 
1 1 1    4    6   32 o  103.660   29.309   1.8551   2.6417   2.9701   3.8576   0.8705   3.6252  112.305   43.032   95.016   39.803 17.28841 58.61783 
1 1 1    4    6   34 f  152.346   31.289   6.9357   3.5632   14.079   5.0132  -0.3565   5.0653  205.056   44.174   99.635   44.324 105.4210 62.57760 
1 1 1    4    6   36 o  107.244   29.442   3.4059   2.5778   3.5389   3.5550   3.2584   3.7435  107.931   41.321  106.557   41.950 1.374268 58.88317 
1 1 1    4    6   38 o   77.223   26.155  -2.6136   3.1391  -1.7909   5.1827  -3.0904   3.9451   84.027   39.909   70.419   33.818 13.60776 52.31052 
1 1 1    4    6   40 o   74.083   25.352  -1.5123   3.2001  -3.1476   4.2024   0.7444   4.9369   66.736   32.694   81.429   38.755 -14.69289 50.70349 
1 1 1    4    7    1 o  1098.08   15.202  344.138   9.5198  342.412   13.462  345.864   13.464  1095.32   21.552  1100.84   21.446 -5.513184 30.40444 
1 1 1    4    7    3 o  1438.59   15.762  590.708   12.931  584.044   18.288  597.368   18.285  1430.47   22.418  1446.71   22.163 -16.24097 31.52376 
1 1 1    4    7    5 o  1984.03   16.922  1123.83   19.143  1099.94   27.074  1147.71   27.071  1962.92   24.185  2005.13   23.674 -42.21216 33.84356 
1 1 1    4    7    7 o  896.464   18.563  229.765   8.9300  228.707   15.507  230.291   10.923  894.690   30.391  898.239   21.324 -3.549561 37.12597 
1 1 1    4    7    9 o  1598.54   19.416  723.407   16.734  750.785   29.076  709.847   20.462  1620.42   31.464  1576.66   22.757 43.75940 38.83106 
1 1 1    4    7   11 o  1211.70   17.676  419.212   12.214   0.0000   0.0000  419.212   12.214  ?   ?   1211.70   17.676      ?      ? 
1 1 1    4    7   13 o  723.989   12.333  149.797   5.0889  156.399   7.2194  143.277   7.1745  739.875   17.110  708.104   17.767 31.77087 24.66578 
1 1 1    4    7   15 o  532.695   8.4443   80.903   2.5568   82.432   3.7877   79.624   3.4656  537.285   12.362  528.104   11.507 9.180359 16.88857 
1 1 1    4    7   17 o  276.892   12.776   21.934   2.0166   21.140   2.8413   22.739   2.8625  271.835   18.328  281.948   17.803 -10.11398 25.55101 
1 1 1    4    7   19 o  210.725   14.839   12.751   1.7629   10.388   2.4570   15.259   2.5308  190.467   22.620  230.984   19.213 -40.51749 29.67798 
1 1 1    4    7   21 o  633.170   12.850  114.724   4.5969  113.348   6.9705  115.784   6.1152  629.708   19.410  636.632   16.843 -6.924011 25.69932 
1 1 1    4    7   23 o  826.593   16.701  195.643   7.8660  205.456   11.139  185.882   11.109  847.351   23.051  805.836   24.174 41.51501 33.40289 
1 1 1    4    7   25 o  783.662   14.296  175.703   6.0918  175.570   7.5518  175.952   10.307  783.670   16.898  783.653   23.064 0.1715088E-01 28.59155 
1 1 1    4    7   27 o  165.852   31.537   8.3271   3.0586   9.2634   4.3318   7.3963   4.3191  174.617   43.626  157.086   45.555 17.53061 63.07480 
1 1 1    4    7   29 o  278.072   31.107   23.365   4.7591   27.438   6.7593   19.360   6.7020  305.440   38.804  250.704   48.630 54.73627 62.21484 
1 1 1    4    7   31 o  133.147   33.397   3.4809   3.3876   8.9943   5.4355  -0.0208   4.3318  168.368   51.668   97.926   42.330 70.44234 66.79364 
1 1 1    4    7   33 o   75.253   25.176  -4.2223   2.8963  -6.0222   4.1866  -2.5702   4.0111   70.301   34.027   80.205   37.115 -9.904053 50.35224 
1 1 1    4    7   35 o  113.183   32.016   3.1915   3.2377   1.0022   4.7876   5.0366   4.3951  101.483   44.183  124.884   46.347 -23.40057 64.03268 
1 1 1    4    7   37 o   87.851   28.388  -0.2282   3.1761  -0.2801   4.5491  -0.1788   4.4365   88.045   40.298   87.656   39.996 0.3887939 56.77699 
1 1 1    4    7   39 o   93.229   31.438   1.3794   4.2973  -0.0183   5.1981   4.3970   7.6379   84.354   40.037  102.104   48.482 -17.74957 62.87607 
1 1 1    4    8    0 o  2625.25   18.746  1967.15   39.682  1967.15   39.682  1967.15   39.682  2625.25   26.511  2625.25   26.511 0.000000 0.000000 
1 1 1    4    8    2 o  2688.23   18.953  2063.52   29.056  2057.76   41.094  2069.27   41.089  2684.48   26.843  2691.98   26.764 -7.504883 37.90596 
1 1 1    4    8    4 o  1363.32   15.694  530.509   12.202  528.248   17.261  532.767   17.251  1360.42   22.249  1366.23   22.141 -5.813965 31.38886 
1 1 1    4    8    6 o  799.833   17.157  181.458   6.7704  185.045   13.624  180.282   7.8019  804.788   29.685  794.879   17.211 9.908875 34.31319 
1 1 1    4    8    8 o  1019.78   30.511  297.288   17.744  297.288   17.744   0.0000   0.0000  1019.78   30.511  ?   ?       ?      ? 
1 1 1    4    8   10 o  1057.91   18.199  314.644   10.388  336.186   18.140  304.134   12.671  1083.99   29.344  1031.83   21.533 52.16870 36.39716 
1 1 1    4    8   12 o  813.791   13.036  188.221   5.6855  186.295   6.9244  192.204   9.9602  807.726   15.032  819.856   21.303 -12.12988 26.07266 
1 1 1    4    8   14 o  864.441   10.354  213.476   5.0919  213.546   7.4653  213.415   6.9630  864.517   15.142  864.366   14.126 0.1506348 20.70777 
1 1 1    4    8   16 o  675.307   9.3234  129.514   3.5362  126.122   4.5894  134.471   5.5476  664.578   12.109  686.037   14.180 -21.45923 18.64671 
1 1 1    4    8   18 f  736.358   10.640  155.090   4.4371  156.429   5.9495  153.412   6.6604  740.032   14.097  732.683   15.940 7.349243 21.27961 
1 1 1    4    8   20 o  1414.55   11.490  571.648   9.2679  564.513   13.125  578.743   13.089  1405.72   16.372  1423.37   16.125 -17.64600 22.97914 
1 1 1    4    8   22 o   91.062   28.131  -3.3397   3.0875   2.0060   4.4336  -8.3733   4.3021  114.418   45.459   67.707   33.150 46.71069 56.26264 
1 1 1    4    8   24 o  602.592   20.397  102.413   6.5224   99.412   7.8399  109.159   11.755  589.187   23.333  615.997   33.463 -26.81049 40.79454 
1 1 1    4    8   26 o  495.052   14.023   70.191   3.9579   68.060   5.5485   72.399   5.6476  487.387   19.962  502.717   19.699 -15.32990 28.04529 
1 1 1    4    8   28 o  357.999   24.641   37.707   4.9620   30.934   7.0580   44.326   6.9774  325.157   38.063  390.841   31.304 -65.68381 49.28203 
1 1 1    4    8   30 o  117.410   34.617  -0.3071   4.0173  -4.0166   5.2357   5.0030   6.2642   90.823   42.161  143.997   54.917 -53.17386 69.23447 
1 1 1    4    8   32 o  123.630   30.795   4.4481   2.6671   3.9007   4.3544   4.7768   3.3742  122.072   45.968  125.189   40.992 -3.117378 61.59030 
1 1 1    4    8   34 o  128.614   32.834   5.2376   3.1243   4.0646   4.6482   6.2043   4.2196  120.832   46.983  136.395   45.879 -15.56258 65.66788 
1 1 1    4    8   36 o  119.573   31.240   4.4063   3.2408   8.2389   4.3210  -0.5221   4.8999  147.019   46.226   92.127   42.035 54.89261 62.48003 
1 1 1    4    8   38 o  129.171   38.804   8.5305   4.6987   5.5103   5.7154   14.828   8.2533  112.035   48.525  146.307   60.568 -34.27218 77.60865 
1 1 1    4    8   40 o   74.029   24.769  -0.2809   2.7789   2.5693   4.1199  -2.6599   3.7640   84.113   38.443   63.944   31.244 20.16871 49.53819 
1 1 1    4    9    1 o  1552.67   16.033  688.139   14.196  683.250   20.077  693.027   20.076  1547.14   22.755  1558.19   22.593 -11.04187 32.06548 
1 1 1    4    9    3 o  2379.53   22.201  1620.04   28.397  1611.36   49.130  1624.40   34.799  2373.91   36.290  2385.15   25.583 -11.24365 44.40143 
1 1 1    4    9    5 o  2202.01   21.738  1390.32   25.657  1371.86   44.553  1399.48   31.383  2190.20   35.669  2213.82   24.857 -23.61401 43.47636 
1 1 1    4    9    9 o  271.377   22.584   21.079   3.4947   21.526   4.9768   20.643   4.9084  274.224   31.824  268.530   32.052 5.693787 45.16713 
1 1 1    4    9   11 o  411.222   10.270   48.010   2.0964   48.825   4.1775   47.735   2.4237  413.418   17.719  409.026   10.390 4.392120 20.54070 
1 1 1    4    9   13 o  1196.59   12.734  409.079   8.6856  419.186   12.525  399.716   12.055  1210.79   18.139  1182.39   17.878 28.40674 25.46860 
1 1 1    4    9   15 o  187.163   8.7897   8.9083   0.8793   13.524   1.6301   7.0144   1.0442  217.591   13.136  156.735   11.682 60.85527 17.57939 
1 1 1    4    9   17 o  497.157   8.9500   70.596   2.5351   70.944   3.5138   70.218   3.6610  498.451   12.361  495.862   12.946 2.589294 17.90002 
1 1 1    4    9   19 o  138.723   21.915   5.7334   1.6891   5.4697   2.3350   6.0229   2.4465  135.348   30.927  142.097   31.058 -6.748627 43.82977 
1 1 1    4    9   21 o  684.486   10.800  133.941   4.1690  134.810   5.5107  132.778   6.3750  687.161   14.062  681.811   16.395 5.350159 21.60001 
1 1 1    4    9   23 o  419.282   42.394   50.775   10.137   50.775   10.137   0.0000   0.0000  419.282   42.394  ?   ?       ?      ? 
1 1 1    4    9   25 o  591.306   12.011   99.083   4.0031   94.390   5.2235  105.763   6.2316  574.598   15.940  608.014   17.972 -33.41644 24.02249 
1 1 1    4    9   27 o  414.264   19.785   47.733   4.5682   41.592   5.7616   58.130   7.4965  379.904   26.594  448.625   29.301 -68.72134 39.56960 
1 1 1    4    9   29 o  215.968   33.948   14.727   4.1825   18.463   5.6664   10.255   6.1993  249.984   39.747  181.952   55.046 68.03140 67.89604 
1 1 1    4    9   31 f  119.100   31.630   3.2083   3.0644   0.6306   4.4468   5.5394   4.2288  102.181   43.502  136.019   45.928 -33.83746 63.25982 
1 1 1    4    9   33 o   66.151   22.939  -7.4309   2.9572  -5.9002   3.9218  -9.4480   4.5023   67.149   32.603   65.152   32.279 1.996979 45.87860 
1 1 1    4    9   35 o   97.638   30.607   0.4067   3.4036  -0.6849   5.0656   1.3052   4.5955   94.790   43.052  100.486   43.517 -5.696136 61.21461 
1 1 1    4    9   37 f   81.144   26.636  -3.4670   3.0442   3.2054   4.7359  -8.1653   3.9740  103.821   44.563   58.468   29.188 45.35314 53.27138 
1 1 1    4    9   39 o   91.086   29.973   2.6074   3.7879   3.2096   5.0001   1.7963   5.8030   92.746   42.374   89.425   42.402 3.321281 59.94585 
1 1 1    4   10    0 o  2112.82   17.351  1274.26   29.557  1274.26   29.557  1274.26   29.557  2112.82   24.538  2112.82   24.538 -0.000000 0.000000 
1 1 1    4   10    2 o  1454.51   15.869  603.962   13.162  612.303   18.622  595.635   18.606  1464.55   22.296  1444.46   22.587 20.09241 31.73821 
1 1 1    4   10    4 o  280.676   11.199   22.644   1.0706   22.270   3.3880   22.686   1.1285  279.307   21.270  282.044   7.0158 -2.736877 22.39716 
1 1 1    4   10    6 o  831.067   29.705  197.461   14.079   0.0000   0.0000  197.461   14.079  ?   ?   831.067   29.705      ?      ? 
1 1 1    4   10    8 o  525.067   15.065   78.815   4.5067   75.086   6.3894   82.507   6.3576  512.671   21.854  537.462   20.742 -24.79095 30.13027 
1 1 1    4   10   10 o  897.151   15.246  230.145   7.7992  226.131   11.037  234.148   11.023  889.316   21.762  904.987   21.357 -15.67120 30.49117 
1 1 1    4   10   12 o  376.237   14.101   40.201   2.9896   38.690   3.9051   42.340   4.6468  367.838   18.616  384.637   21.184 -16.79886 28.20135 
1 1 1    4   10   14 o  355.547   10.170   35.653   1.6876   35.314   1.8977   36.935   3.6900  351.765   9.4599  359.329   18.007 -7.563843 20.34051 
1 1 1    4   10   16 o  1000.46   12.685  286.204   7.2363  280.145   10.152  292.462   10.317  989.693   17.987  1011.23   17.891 -21.53864 25.36935 
1 1 1    4   10   18 o  386.601   9.2554   42.696   2.0386   43.235   2.8322   42.117   2.9367  389.147   12.762  384.055   13.408 5.091431 18.51079 
1 1 1    4   10   20 o  752.419   10.496  161.940   4.4169  160.203   6.9439  163.121   5.7243  748.918   16.258  755.921   13.279 -7.003113 20.99174 
1 1 1    4   10   22 o  877.372   20.110  218.944   9.4200  215.781   11.422  225.669   16.655  868.357   23.066  886.387   32.948 -18.02997 40.21939 
1 1 1    4   10   24 o  486.411   12.584   66.435   3.2023   70.727   5.9229   64.662   3.8067  497.046   20.895  475.776   14.030 21.27054 25.16831 
1 1 1    4   10   26 o  370.614   14.803   39.525   3.1141   37.913   4.5750   40.916   4.2509  363.429   22.074  377.799   19.730 -14.37012 29.60641 
1 1 1    4   10   28 o  267.224   30.224   20.462   4.4166   17.054   5.5768   26.195   7.2335  236.855   42.865  297.592   42.622 -60.73611 60.44845 
1 1 1    4   10   30 o  123.167   33.011   3.0508   3.2517   0.9442   4.2758   5.9402   5.0076  103.052   43.202  143.282   49.926 -40.22938 66.02258 
1 1 1    4   10   32 o  116.886   28.249   3.2107   2.6168   7.1329   3.6932  -0.7432   3.7081  148.353   41.841   85.420   37.966 62.93248 56.49865 
1 1 1    4   10   34 o   97.508   26.994   1.6078   2.4081  -1.4021   3.4609   4.4324   3.3527   77.270   35.284  117.745   40.862 -40.47488 53.98718 
1 1 1    4   10   36 o   76.864   26.284  -5.6145   3.5835  -2.1022   4.9660  -9.4305   5.1762   85.255   40.057   68.473   34.041 16.78156 52.56757 
1 1 1    4   10   38 o  104.498   34.505   2.8386   4.5577  -0.5754   5.4452   10.827   8.3291   85.397   40.660  123.599   55.759 -38.20139 69.00959 
1 1 1    4   11    1 o  1468.14   15.890  615.425   13.304  617.390   18.819  613.462   18.811  1470.49   22.441  1465.80   22.504 4.691284 31.78085 
1 1 1    4   11    3 o  1630.10   19.890  758.975   17.446  760.653   30.181  758.133   21.379  1630.85   32.451  1629.35   23.008 1.495361 39.78032 
1 1 1    4   11    5 o  580.809   29.289   96.462   9.7012   0.0000   0.0000   96.462   9.7012  ?   ?   580.809   29.289      ?      ? 
1 1 1    4   11    7 o  321.674   7.4402   29.589   1.3477   29.975   1.7769   29.066   2.0677  324.163   9.6119  319.185   11.360 4.978088 14.88040 
1 1 1    4   11    9 f  718.759   15.089  147.725   6.1840  145.038   8.7562  150.398   8.7348  712.219   21.558  725.299   21.117 -13.07941 30.17772 
1 1 1    4   11   11 o  447.796   9.0532   57.252   2.3119   57.357   3.2784   57.148   3.2607  448.203   12.826  447.389   12.780 0.8141479 18.10642 
1 1 1    4   11   13 o  1193.14   15.787  408.370   10.728  395.905   15.411  420.091   14.944  1175.28   22.994  1211.01   21.638 -35.72473 31.57421 
1 1 1    4   11   15 o  869.304   12.588  216.151   6.2392  215.531   8.9110  216.747   8.7386  868.051   18.001  870.556   17.602 -2.505676 25.17613 
1 1 1    4   11   17 o  221.523   15.985   13.549   1.9527   12.231   2.4216   15.998   3.3015  206.756   20.538  236.290   24.500 -29.53415 31.96975 
1 1 1    4   11   19 o  509.853   11.431   74.246   3.2348   74.224   4.1250   74.282   5.2130  509.857   14.187  509.850   17.929 0.6347656E-02 22.86284 
1 1 1    4   11   21 o  882.467   12.660  222.136   6.3546  217.583   8.6390  227.505   9.3803  872.684   17.358  892.250   18.435 -19.56567 25.32099 
1 1 1    4   11   23 o  708.043   16.184  142.391   6.3518  148.501   10.369  138.721   8.0360  719.768   25.261  696.318   20.237 23.45044 32.36745 
1 1 1    4   11   25 o  508.066   12.898   73.757   3.7313   76.532   5.4635   71.331   5.1080  516.971   18.531  499.162   17.944 17.80890 25.79540 
1 1 1    4   11   27 o  442.832   20.565   56.577   4.9729   56.074   6.1873   57.495   8.3580  441.022   24.601  444.642   32.961 -3.620178 41.12913 
1 1 1    4   11   29 o  123.853   32.466   3.3557   3.2070   6.0038   4.5246   0.6821   4.5463  142.918   47.501  104.788   44.270 38.13020 64.93191 
1 1 1    4   11   31 o  143.585   34.889   6.3657   3.4580   5.7470   5.1615   6.8696   4.6580  139.811   50.493  147.359   48.159 -7.547852 69.77705 
1 1 1    4   11   33 o  103.384   31.431   1.0895   3.3279   1.1129   4.9718   1.0704   4.4794  105.459   45.468  101.309   43.409 4.149940 62.86195 
1 1 1    4   11   35 o   88.777   28.867  -1.3368   3.3807   0.0941   4.7583  -2.7953   4.8041   94.224   42.359   83.330   39.230 10.89318 57.73470 
1 1 1    4   11   37 o   98.128   30.588   2.1988   3.1660   0.7213   3.8965   5.0693   5.4312   84.719   38.186  111.538   47.795 -26.81876 61.17628 
1 1 1    4   11   39 o   91.997   29.475   3.7829   3.5145   5.6224   4.3962   0.5254   5.8503  101.001   43.133   82.993   40.183 18.00854 58.94989 
1 1 1    4   12    0 o  579.871   14.819   96.323   6.9097   96.323   6.9097   96.323   6.9097  579.871   20.957  579.871   20.957 0.000000 0.000000 
1 1 1    4   12    2 o  764.721   14.900  167.007   6.4981  167.895   9.1941  166.121   9.1854  766.755   21.026  762.688   21.118 4.067505 29.80069 
1 1 1    4   12    4 o  829.233   21.109  196.799   9.9780  190.231   14.112  203.365   14.110  815.346   30.350  843.120   29.346 -27.77350 42.21712 
1 1 1    4   12    6 o  254.405   16.603   18.208   1.2190   18.852   4.6845   18.162   1.2625  256.484   32.027  252.327   8.7738 4.156815 33.20687 
1 1 1    4   12    8 o  181.474   22.475   9.7513   2.1038   9.2754   3.7079   9.9773   2.5548  176.229   38.011  186.719   23.993 -10.48958 44.94972 
1 1 1    4   12   10 o  612.451   15.121  107.354   5.2811  108.505   7.4857  106.214   7.4517  615.725   21.318  609.177   21.450 6.547546 30.24168 
1 1 1    4   12   12 o  295.359   10.873   24.904   1.8258   25.282   2.6986   24.585   2.4793  297.399   15.911  293.318   14.822 4.080780 21.74543 
1 1 1    4   12   14 o  746.209   13.300  155.725   5.1768  150.686   6.1328  168.214   9.6553  726.174   14.809  766.245   22.096 -40.07086 26.59918 
1 1 1    4   12   16 o  602.998   11.744  104.317   3.8497  102.592   6.4884  105.254   4.7824  598.924   18.997  607.073   13.814 -8.148804 23.48813 
1 1 1    4   12   18 o  957.385   13.067  262.123   7.1303  255.118   10.164  268.912   10.006  944.735   18.864  970.035   18.087 -25.29999 26.13452 
1 1 1    4   12   20 o  395.678   18.938   44.883   4.2696   43.409   6.0945   46.304   5.9834  389.245   27.455  402.110   26.092 -12.86517 37.87587 
1 1 1    4   12   22 o  634.939   21.694  115.977   7.5631  116.518   9.5053  115.044   12.486  637.580   26.142  632.297   34.627 5.283264 43.38707 
1 1 1    4   12   24 o  235.607   27.677   17.562   3.3904   27.810   4.8276   7.5865   4.7627  311.031   27.217  160.184   48.200 150.8470 55.35354 
1 1 1    4   12   26 o  320.644   21.992   29.413   3.9163   28.292   4.9594   31.271   6.3831  313.107   27.774  328.181   34.105 -15.07431 43.98406 
1 1 1    4   12   28 o  167.445   30.234   7.4558   2.8288   13.079   5.0458   4.8784   3.4161  205.849   44.295  129.040   41.162 76.80934 60.46763 
1 1 1    4   12   30 o  194.878   32.931   12.137   3.6937   16.482   5.3857   8.2773   5.0756  228.794   42.851  160.961   50.017 67.83356 65.86285 
1 1 1    4   12   32 o  132.882   34.670   5.2017   3.4898   6.7763   5.1403   3.8555   4.7530  144.145   50.563  121.619   47.449 22.52576 69.33971 
1 1 1    4   12   34 o  103.829   28.058   2.0296   2.8334   5.8514   3.5553  -4.6239   4.6910  130.057   42.046   77.602   37.163 52.45580 56.11525 
1 1 1    4   12   36 o   76.667   26.239  -5.2783   3.4263  -0.5750   5.2681  -8.7264   4.5107   90.555   42.121   62.780   31.302 27.77462 52.47871 
1 1 1    4   12   38 o   82.948   28.056  -0.6931   3.8153  -3.8437   5.4348   2.3685   5.3574   74.582   36.667   91.314   42.475 -16.73263 56.11256 
1 1 1    4   13    1 f  1210.87   15.473  418.977   10.684  413.318   15.108  424.638   15.112  1202.67   22.028  1219.07   21.737 -16.39294 30.94670 
1 1 1    4   13    3 o  1111.85   21.673  354.092   13.741  347.381   19.423  360.815   19.441  1101.26   30.927  1122.44   30.371 -21.18274 43.34634 
1 1 1    4   13    5 o  684.258   18.576  134.889   6.7912  131.497   11.827  136.557   8.2951  677.333   30.618  691.184   21.044 -13.85162 37.15231 
1 1 1    4   13    7 o  517.738   16.351   74.212   3.7273   80.701   8.9037   72.833   4.1042  530.428   29.434  505.048   14.250 25.37970 32.70203 
1 1 1    4   13    9 o  128.485   16.343   4.4016   1.0157   4.0176   1.1568   5.6939   2.1222  118.552   17.111  138.417   27.849 -19.86441 32.68526 
1 1 1    4   13   11 o  109.459   17.531   3.6371   1.3398  -0.5109   2.0444   6.7599   1.7738   65.256   28.628  153.662   20.242 -88.40617 35.06169 
1 1 1    4   13   13 o  415.227   14.690   51.801   2.9192   44.876   5.8777   54.069   3.3634  395.394   26.067  435.060   13.556 -39.66562 29.38086 
1 1 1    4   13   15 o  234.988   16.799   14.815   1.5432   14.462   1.6514   17.244   4.3351  225.053   12.867  244.923   31.037 -19.86934 33.59853 
1 1 1    4   13   17 o  941.967   12.566  253.634   6.7439  255.046   9.3511  252.104   9.7350  944.749   17.356  939.186   18.176 5.562744 25.13149 
1 1 1    4   13   19 o  623.994   15.421  112.781   5.3287  105.034   8.4680  117.860   6.8563  605.782   24.512  642.206   18.721 -36.42365 30.84291 
1 1 1    4   13   21 o  667.735   20.570  136.569   6.3679  112.996   13.220  143.691   7.2664  626.420   37.007  709.050   17.970 -82.63049 41.13955 
1 1 1    4   13   23 o  474.114   19.215   66.506   4.9543   72.101   6.2996   57.435   8.0212  501.634   22.021  446.594   31.495 55.03970 38.42935 
1 1 1    4   13   25 o  185.780   28.781   10.375   2.9566   9.5121   3.9868   11.430   4.4072  177.177   40.359  194.384   41.044 -17.20694 57.56280 
1 1 1    4   13   27 o  166.614   26.403   5.9273   2.8016   16.933   4.9235   0.6575   3.4069  240.393   35.914   92.835   38.712 147.5580 52.80555 
1 1 1    4   13   29 o   88.230   28.713  -3.3302   3.3806  -5.4375   4.8629  -1.3593   4.7029   81.314   38.632   95.147   42.490 -13.83334 57.42682 
1 1 1    4   13   31 o  134.628   28.989   6.1435   2.7939  -0.0271   5.1212   8.7583   3.3337  103.139   45.278  166.118   36.212 -62.97824 57.97749 
1 1 1    4   13   33 o  115.435   27.944   3.7495   2.8194  -4.2342   5.0469   7.3713   3.3992   83.190   39.474  147.681   39.564 -64.49157 55.88848 
1 1 1    4   13   35 o  104.746   32.547   1.6578   3.9384  -2.1039   5.8741   4.7295   5.3081   91.781   43.260  117.712   48.639 -25.93068 65.09351 
1 1 1    4   13   37 f   76.480   25.662  -1.2770   2.8585  -0.1652   4.8039  -1.8865   3.5567   83.859   39.400   69.101   32.890 14.75816 51.32353 
1 1 1    4   14    0 o  345.676   21.775   34.965   5.9598   34.965   5.9598   34.965   5.9598  345.676   30.794  345.676   30.794 -0.000000 0.000000 
1 1 1    4   14    2 o  850.505   21.250  207.357   10.306  210.124   14.580  204.594   14.571  856.204   29.859  844.806   30.244 11.39813 42.50035 
1 1 1    4   14    4 o  711.365   18.211  144.079   6.9682  147.440   12.122  142.421   8.5158  717.026   29.645  705.703   21.160 11.32349 36.42192 
1 1 1    4   14    6 o  129.607   21.807   5.6412   1.4882   2.8757   3.0491   6.5060   1.7051  108.391   38.849  150.824   19.823 -42.43288 43.61428 
1 1 1    4   14    8 o  195.036   21.225   10.555   2.3027   12.664   3.8017   9.3325   2.8940  209.798   31.775  180.275   28.150 29.52277 42.45079 
1 1 1    4   14   10 o  444.760   13.784   56.567   3.0703   56.513   3.5712   56.721   6.0116  444.750   14.080  444.770   23.701 -0.1980591E-01 27.56750 
1 1 1    4   14   12 o   95.851   25.791   1.7009   1.8530   2.6279   3.2515   1.2550   2.2550  107.694   39.885   84.008   32.708 23.68580 51.58100 
1 1 1    4   14   14 o  551.826   14.006   86.698   4.0252   88.154   7.4222   86.091   4.7909  554.724   23.462  548.928   15.304 5.795471 28.01204 
1 1 1    4   14   16 o  266.379   12.970   20.075   1.9580   17.307   2.6342   23.492   2.9270  246.055   18.772  286.703   17.902 -40.64789 25.93994 
1 1 1    4   14   18 o  754.768   12.893  161.855   5.5332  150.133   7.4903  175.936   8.2094  724.867   18.120  784.668   18.346 -59.80121 25.78523 
1 1 1    4   14   20 o  527.751   20.875   77.545   5.8974   86.685   10.560   73.402   7.1093  549.200   33.718  506.303   24.622 42.89703 41.75069 
1 1 1    4   14   22 o  783.197   21.544  170.257   9.1810  157.182   11.216  196.809   15.983  740.023   26.576  826.371   33.916 -86.34747 43.08812 
1 1 1    4   14   24 o  520.846   13.684   77.700   3.7277   77.627   4.4579   77.867   6.7970  520.970   15.005  520.722   22.889 0.2481689 27.36840 
1 1 1    4   14   26 o  163.635   31.772   7.5757   3.8723  -2.0839   5.9030   14.873   5.1305  106.139   47.487  221.131   42.223 -114.9925 63.54345 
1 1 1    4   14   28 o  136.908   32.229   5.0060   3.0680   8.1831   4.6095   2.4790   4.1108  161.805   47.101  112.010   44.004 49.79472 64.45796 
1 1 1    4   14   30 f  193.620   26.788   11.879   2.8282   12.709   3.6655   10.658   4.4460  205.935   31.211  181.305   43.546 24.62955 53.57631 
1 1 1    4   14   32 o  111.543   30.328   3.3856   2.6911   3.8396   3.3917   2.6140   4.4215  113.294   40.929  109.791   44.767 3.503273 60.65680 
1 1 1    4   14   34 o   83.462   27.744  -3.5132   3.5341  -8.1219   5.3730   0.0010   4.6919   73.892   36.353   93.032   41.921 -19.14045 55.48757 
1 1 1    4   14   36 o   95.802   29.913   1.8319   3.1929   4.8030   4.9656  -0.2624   4.1690  109.594   46.282   82.010   37.911 27.58372 59.82682 
1 1 1    4   14   38 o   77.307   25.908   0.4551   2.9156  -1.0673   5.6354   1.0115   3.4071   78.632   38.379   75.982   34.813 2.650009 51.81577 
1 1 1    4   15    3 o  854.444   14.371  208.799   6.9581  209.253   10.451  208.438   9.3257  855.123   21.430  853.764   19.154 1.359558 28.74187 
1 1 1    4   15    5 o  449.235   9.5875   56.261   2.2960   61.473   4.1270   53.924   2.7630  463.831   15.602  434.640   11.147 29.19116 19.17500 
1 1 1    4   15    7 o  291.783   18.378   27.825   2.0464   20.028   5.2112   29.246   2.2251  263.531   34.675  320.036   12.192 -56.50555 36.75573 
1 1 1    4   15    9 o  802.664   14.464  183.765   6.5515  189.311   10.083  179.713   8.6190  812.885   21.750  792.443   19.072 20.44177 28.92745 
1 1 1    4   15   11 o  559.578   16.445   89.932   5.2327   82.219   7.4104   97.604   7.3899  535.468   24.267  583.687   22.201 -48.21875 32.89014 
1 1 1    4   15   13 o  290.919   10.397   24.484   1.6242   25.125   2.0008   23.246   2.7814  296.666   11.826  285.171   17.103 11.49460 20.79353 
1 1 1    4   15   15 o  648.760   14.833  121.108   5.2833  123.103   6.6582  117.716   8.6815  656.307   17.789  641.213   23.741 15.09436 29.66631 
1 1 1    4   15   17 o  716.192   10.654  146.249   4.3466  142.009   5.9806  150.997   6.3281  705.218   14.871  727.166   15.260 -21.94867 21.30716 
1 1 1    4   15   19 o  390.841   21.178   43.104   3.2718   44.831   8.8265   42.829   3.5227  394.457   39.237  387.225   15.952 7.232208 42.35590 
1 1 1    4   15   21 o  469.922   26.477   64.651   6.6438   66.451   8.1497   61.086   11.472  480.873   29.718  458.970   43.828 21.90256 52.95362 
1 1 1    4   15   23 o  108.843   31.895   1.1749   3.0140   1.2891   3.5872   0.9006   5.5585  100.015   40.492  117.671   49.290 -17.65593 63.78926 
1 1 1    4   15   25 o  179.600   38.567   9.8386   4.2505   9.3286   6.7888   10.167   5.4511  177.438   58.147  181.762   50.682 -4.324203 77.13453 
1 1 1    4   15   27 f  280.823   45.109   26.821   6.0777   22.315   13.341   28.001   6.8273  254.622   81.355  307.024   38.993 -52.40199 90.21716 
1 1 1    4   15   29 o  120.507   27.882   2.6856   2.7305   8.4610   3.9803  -2.4488   3.7529  162.612   42.461   78.403   36.147 84.20928 55.76363 
1 1 1    4   15   31 o  139.065   34.326   6.3011   3.3595   5.6561   4.8114   6.9147   4.6930  134.165   48.705  143.964   48.384 -9.798874 68.65273 
1 1 1    4   15   33 o   97.267   30.435   0.5638   3.2893   0.9965   5.0983   0.2552   4.3052  102.024   44.970   92.510   41.022 9.513550 60.86988 
1 1 1    4   15   35 f   77.380   26.027  -2.5037   3.0966  -2.1797   4.7561  -2.7420   4.0798   81.108   38.438   73.652   35.103 7.455788 52.05458 
1 1 1    4   15   37 o   66.818   23.213  -3.9050   2.9821  -3.4459   4.6896  -4.2167   3.8639   70.795   34.651   62.842   30.899 7.952862 46.42683 
1 1 1    4   16    0 o  517.862   21.391   77.553   8.8643   77.553   8.8643   77.553   8.8643  517.862   30.251  517.862   30.251 0.000000 0.000000 
1 1 1    4   16    2 o  597.677   21.260  102.825   7.2302  110.865   10.234   94.814   10.216  621.217   28.887  574.136   31.202 47.08069 42.52097 
1 1 1    4   16    4 o  411.039   18.720   48.650   4.1165   48.035   7.1722   48.953   5.0270  408.621   30.778  413.457   21.320 -4.836334 37.44064 
1 1 1    4   16    6 o  289.804   20.303   24.716   3.1848   22.206   5.2760   26.155   3.9947  277.546   33.333  302.062   23.190 -24.51611 40.60605 
1 1 1    4   16    8 o  480.004   20.267   66.527   5.2242   65.363   9.0213   67.114   6.4081  476.162   33.222  483.847   23.223 -7.685303 40.53403 
1 1 1    4   16   10 o  548.063   13.855   83.632   4.0746   79.419   4.9258   92.763   7.2512  527.089   16.387  569.038   22.345 -41.94836 27.70958 
1 1 1    4   16   12 o  440.967   17.630   55.884   4.4137   62.071   6.2515   49.735   6.2323  465.490   23.549  416.444   26.242 49.04599 35.25948 
1 1 1    4   16   14 o  693.463   14.517  136.349   5.5473  142.095   9.1926  133.058   6.9568  704.601   22.877  682.326   17.878 22.27460 29.03432 
1 1 1    4   16   16 o  664.561   16.978  126.503   6.4261  119.126   9.0915  133.867   9.0843  645.113   24.712  684.009   23.288 -38.89594 33.95630 
1 1 1    4   16   18 o  472.814   13.552   61.159   3.0694   58.994   3.4668   69.012   6.6021  454.581   13.373  491.047   23.576 -36.46585 27.10453 
1 1 1    4   16   20 o  335.811   27.114   31.510   3.9102   30.980   4.2801   34.184   9.6148  328.890   22.820  342.731   49.192 -13.84061 54.22729 
1 1 1    4   16   22 o  317.046   21.748   28.306   3.6416   27.231   4.3524   30.815   6.6490  307.881   24.789  326.210   35.741 -18.32922 43.49611 
1 1 1    4   16   24 o  241.861   24.406   16.512   3.3084   14.396   4.2277   19.855   5.3141  222.625   33.300  261.096   35.689 -38.47093 48.81169 
1 1 1    4   16   26 o  499.187   15.934   71.558   4.4358   73.725   7.0994   70.170   5.6813  504.751   24.663  493.623   20.182 11.12808 31.86821 
1 1 1    4   16   28 o  153.131   39.049   6.7922   4.2293   7.4609   7.1045   6.4252   5.2635  159.663   58.991  146.600   51.180 13.06279 78.09807 
1 1 1    4   16   30 o  139.946   25.741   4.4434   2.8124  -2.9078   3.8140   13.204   4.1636   76.197   35.575  203.694   37.214 -127.4968 51.48258 
1 1 1    4   16   32 o  119.418   30.915   4.5931   2.7983   5.5698   3.5289   2.9386   4.5930  128.058   41.921  110.778   45.450 17.28017 61.83095 
1 1 1    4   16   34 o  111.090   33.498   3.5425   3.7592   5.6146   5.5622   1.8002   5.1004  121.503   49.952  100.676   44.647 20.82638 66.99654 
1 1 1    4   16   36 o   78.926   26.014  -1.0691   2.9694  -4.5682   4.1376   2.6472   4.2641   65.543   32.176   92.309   40.885 -26.76628 52.02759 
1 1 1    4   17    1 o  911.413   15.191  237.935   7.8955  238.135   11.165  237.736   11.166  911.797   21.473  911.028   21.493 0.7684326 30.38105 
1 1 1    4   17    3 o  471.250   21.423   63.916   5.7553   65.832   8.1392   62.000   8.1392  478.378   29.834  464.122   30.751 14.25616 42.84518 
1 1 1    4   17    5 o  550.042   21.697   86.866   6.7942   94.331   9.8589   80.115   9.3761  572.573   30.193  527.510   31.167 45.06305 43.39374 
1 1 1    4   17    7 o  928.760   17.697  245.411   8.0994  251.576   16.334  243.401   9.3267  935.024   30.633  922.496   17.728 12.52808 35.39314 
1 1 1    4   17    9 f  147.127   31.883   6.4989   2.9509   4.0202   5.1037   7.7437   3.6168  133.726   49.881  160.529   39.723 -26.80281 63.76582 
1 1 1    4   17   11 o  593.286   14.443  100.219   4.6883   99.012   5.8397  102.408   7.8637  588.555   17.398  598.018   23.058 -9.462952 28.88553 
1 1 1    4   17   13 o  1070.12   16.101  327.723   9.8256  330.347   13.903  325.106   13.889  1074.41   22.690  1065.83   22.850 8.584106 32.20140 
1 1 1    4   17   15 f  966.136   15.808  266.747   8.6954  271.201   12.710  262.829   11.922  973.635   22.891  958.636   21.807 14.99908 31.61577 
1 1 1    4   17   19 o  308.099   39.632   28.493   6.7526   25.511   9.9035   31.083   9.2311  289.362   61.887  326.837   49.526 -37.47546 79.26424 
1 1 1    4   17   21 o  534.032   15.713   82.189   3.9365   82.498   4.4507   81.080   8.4362  537.223   14.527  530.841   27.867 6.382019 31.42635 
1 1 1    4   17   23 o  136.731   33.132   5.1386   2.9082   4.0395   5.7282   5.5203   3.3756  137.123   52.462  136.338   40.479 0.7855835 66.26331 
1 1 1    4   17   25 o   81.960   27.616  -6.2980   3.5817  -5.0654   4.9685  -7.6314   5.1679   84.662   39.869   79.257   38.225 5.405434 55.23240 
1 1 1    4   17   27 o  264.577   39.273   25.414   5.5643   30.851   6.8399   14.776   9.5679  320.570   37.414  208.584   69.063 111.9864 78.54611 
1 1 1    4   17   29 o  133.541   35.916   4.8903   3.9095   2.1524   6.0388   6.8656   5.1294  120.812   51.030  146.270   50.554 -25.45814 71.83155 
1 1 1    4   17   31 o  124.830   33.074   4.1240   3.3368   1.1393   4.4494   7.9601   5.0442  100.268   43.121  149.393   50.162 -49.12492 66.14877 
1 1 1    4   17   33 o   98.299   31.430   0.2885   3.7611   2.2097   5.6084  -1.2817   5.0703  107.032   47.172   89.566   41.546 17.46595 62.85971 
1 1 1    4   17   35 o   70.135   24.161  -4.1263   3.1162  -4.3925   4.5078  -3.8827   4.3127   70.249   34.296   70.021   34.041 0.2280045 48.32187 
1 1 1    4   17   37 o   79.861   27.628  -0.3909   4.2082  -1.2029   6.1965   0.3042   5.7332   78.879   38.851   80.842   39.290 -1.962753 55.25499 
1 1 1    4   18    0 o  543.218   15.103   84.722   6.5935   84.722   6.5935   84.722   6.5935  543.218   21.359  543.218   21.359 0.000000 0.000000 
1 1 1    4   18    2 o  734.878   15.094  154.692   6.3253  152.999   8.9472  156.383   8.9435  730.840   21.467  738.916   21.224 -8.076477 30.18727 
1 1 1    4   18    4 o  720.189   22.104  149.383   9.0699  156.837   12.830  141.938   12.823  738.325   30.472  702.052   32.029 36.27301 44.20812 
1 1 1    4   18    6 o  1220.79   19.514  427.284   12.824  429.904   22.177  425.969   15.718  1222.20   31.817  1219.38   22.603 2.816284 39.02848 
1 1 1    4   18    8 o  189.099   30.459   10.005   3.0855   13.613   5.3763   8.2331   3.7677  212.674   45.690  165.525   40.293 47.14897 60.91855 
1 1 1    4   18   10 o  794.945   14.819  179.820   6.6476  174.347   8.7291  187.376   10.257  780.792   19.604  809.099   22.229 -28.30707 29.63879 
1 1 1    4   18   12 o  268.034   19.408   21.827   2.4992   18.269   4.9538   23.042   2.8946  252.107   34.455  283.961   17.875 -31.85373 38.81594 
1 1 1    4   18   14 f  858.405   15.793  210.272   7.7107  204.339   10.470  217.304   11.398  845.277   21.720  871.533   22.933 -26.25543 31.58600 
1 1 1    4   18   18 o  618.390   21.703  110.315   6.7910  110.820   7.9580  108.962   13.026  622.120   22.431  614.661   37.161 7.458557 43.40549 
1 1 1    4   18   20 o  338.695   20.119   31.856   3.5745   30.194   4.2364   35.963   6.6602  324.441   22.896  352.949   33.089 -28.50784 40.23824 
1 1 1    4   18   22 o  232.884   24.396   16.232   2.8447   15.326   5.2051   16.617   3.3969  225.474   42.026  240.294   24.789 -14.82008 48.79211 
1 1 1    4   18   24 o  258.404   23.244   20.008   3.3196   22.459   4.3811   16.705   5.0870  278.358   27.598  238.450   37.409 39.90822 46.48735 
1 1 1    4   18   26 o  474.349   17.548   65.736   4.3004   65.003   7.9611   66.038   5.1101  470.350   29.680  478.349   18.732 -7.999664 35.09680 
1 1 1    4   18   28 o  151.771   37.818   6.3767   4.1969   2.9370   5.4520   11.380   6.5752  121.895   49.707  181.648   57.008 -59.75305 75.63512 
1 1 1    4   18   30 o  100.504   30.186  -0.0970   3.1200  -3.0850   4.0303   4.3716   4.9288   77.135   36.192  123.874   48.321 -46.73886 60.37164 
1 1 1    4   18   32 o   99.527   31.460   0.8675   3.5052   1.4516   4.2185  -0.4352   6.2997   96.872   41.823  102.182   47.008 -5.309196 62.92039 
1 1 1    4   18   34 o   89.176   25.935   1.7805   2.4110   4.1698   3.0042  -2.5426   4.0411  105.403   38.452   72.949   34.814 32.45419 51.87064 
1 1 1    4   18   36 o   84.262   28.307   0.9917   3.7614  -1.6783   6.1137   2.6179   4.7714   80.170   39.307   88.354   40.743 -8.184196 56.61359 
1 1 1    4   19    1 o  222.884   16.968   14.332   2.1354   12.021   3.0193   16.644   3.0206  204.700   25.864  241.069   21.971 -36.36960 33.93641 
1 1 1    4   19    3 o  718.071   22.132  148.323   9.0625  146.136   12.800  150.520   12.832  712.726   31.493  723.415   31.104 -10.68909 44.26350 
1 1 1    4   19    5 o  624.167   17.331  111.071   5.4127  112.903   10.646  110.433   6.2857  626.852   29.780  621.482   17.735 5.370361 34.66109 
1 1 1    4   19    7 o  798.573   17.908  182.864   7.0032  182.583   14.165  182.955   8.0569  797.124   31.159  800.023   17.659 -2.898743 35.81533 
1 1 1    4   19    9 o  402.828   10.229   46.005   2.3358   49.313   3.5440   43.464   3.1057  415.516   14.956  390.140   13.959 25.37546 20.45800 
1 1 1    4   19   11 o  738.215   15.102  157.004   6.2130  150.248   9.7803  161.574   8.0447  724.549   23.670  751.881   18.762 -27.33160 30.20345 
1 1 1    4   19   13 o  580.900   17.405   96.587   5.7658   96.332   8.1735   96.838   8.1347  580.131   24.705  581.669   24.523 -1.537964 34.80991 
1 1 1    4   19   17 o  115.104   31.970   0.8497   3.2605  -2.3068   4.2819   5.2057   5.0300   88.113   39.844  142.096   50.007 -53.98241 63.93912 
1 1 1    4   19   19 f  522.513   16.230   76.568   4.6560   72.226   5.7724   84.655   7.8770  502.135   20.158  542.891   25.442 -40.75595 32.45982 
1 1 1    4   19   21 o  307.692   20.255   27.575   2.8399   26.902   6.3018   27.746   3.1813  304.185   36.327  311.198   17.926 -7.012695 40.50924 
1 1 1    4   19   23 o  172.624   36.572   7.5991   3.9694   14.702   6.7203   3.7931   4.9192  216.333   54.498  128.914   48.785 87.41875 73.14369 
1 1 1    4   19   25 o  103.581   31.239   0.8599   2.9928  -2.2717   6.1794   1.8196   3.4208  106.479   48.033  100.683   39.954 5.796173 62.47757 
1 1 1    4   19   27 o  234.962   33.926   18.537   4.4458   12.367   6.4905   23.991   6.1022  190.202   56.042  279.721   38.253 -89.51884 67.85236 
1 1 1    4   19   29 o  117.285   35.547  -0.7091   5.0009 -12.3825   8.0767   6.5485   6.3684   91.159   44.793  143.412   55.207 -52.25362 71.09322 
1 1 1    4   19   31 o  146.794   40.213   8.5212   4.9062   6.2041   7.2587   10.470   6.6571  134.852   56.393  158.737   57.342 -23.88419 80.42543 
1 1 1    4   19   33 o   93.730   30.686   0.1419   3.8912  -0.5614   5.5527   0.8206   5.4547   91.543   42.801   95.918   43.984 -4.375290 61.37257 
1 1 1    4   19   35 o   95.928   31.838   2.7882   3.6959   7.5070   8.0492   1.5275   4.1604  107.447   50.643   84.409   38.599 23.03771 63.67551 
1 1 1    4   20    0 o  839.605   15.265  201.796   10.321  201.796   10.321  201.796   10.321  839.605   21.588  839.605   21.588 0.000000 0.000000 
1 1 1    4   20    2 o  685.996   22.338  135.306   8.7367  131.766   12.348  138.854   12.363  676.940   31.986  695.051   31.190 -18.11047 44.67553 
1 1 1    4   20    4 o  952.605   17.412  248.627   8.7316  289.490   16.272  232.103   10.348  1004.43   28.407  900.783   20.143 103.6425 34.82419 
1 1 1    4   20    6 o  1216.03   17.762  415.222   10.728  440.908   21.568  406.777   12.366  1239.15   30.520  1192.91   18.177 46.24292 35.52314 
1 1 1    4   20    8 o  200.626   32.018   12.379   3.4854   10.046   6.0300   13.550   4.2712  184.147   53.948  217.104   34.498 -32.95763 64.03535 
1 1 1    4   20   10 o  457.286   20.107   61.560   3.9714   57.447   9.3534   62.465   4.3864  446.931   36.697  467.641   16.448 -20.70990 40.21474 
1 1 1    4   20   12 o  529.819   17.694   80.202   5.3464   0.0000   0.0000   80.202   5.3464  ?   ?   529.819   17.694      ?      ? 
1 1 1    4   20   16 o  1062.42   16.462  323.042   9.9682  308.887   13.876  338.138   14.329  1038.36   23.432  1086.48   23.127 -48.11938 32.92304 
1 1 1    4   20   18 o  446.213   18.625   57.425   4.4954   57.870   5.5536   56.580   7.6558  449.294   21.675  443.131   30.295 6.163269 37.24995 
1 1 1    4   20   20 o  429.000   18.967   56.385   3.6635   47.560   7.9439   58.769   4.1287  404.869   34.405  453.132   15.977 -48.26352 37.93396 
1 1 1    4   20   22 o  348.543   21.538   33.534   3.7036   38.931   7.6584   31.887   4.2313  364.395   36.853  332.691   22.302 31.70428 43.07560 
1 1 1    4   20   24 o  243.891   22.582   17.907   3.0567   15.060   4.6369   20.094   4.0650  225.308   36.088  262.473   27.157 -37.16479 45.16441 
1 1 1    4   20   26 o  146.866   36.429   6.6703   3.7834   4.9527   6.2421   7.6677   4.7567  139.368   54.375  154.363   48.495 -14.99554 72.85847 
1 1 1    4   20   28 o  117.570   32.065   2.6181   2.9378   0.6859   3.5423   6.8750   5.2578   90.905   38.767  144.236   51.087 -53.33067 64.13053 
1 1 1    4   20   30 o  131.438   43.689   0.0835   7.3325   7.5712   14.032  -2.7290   8.6000  151.886   69.980  110.989   52.323 40.89697 87.37765 
1 1 1    4   20   32 o  130.667   34.446   6.6141   3.2268   9.3373   5.8484   5.4223   3.8689  142.380   53.340  118.955   43.600 23.42472 68.89189 
1 1 1    4   20   34 o   75.599   26.320  -4.5188   3.8921  -5.6344   5.0857  -2.9416   6.0469   69.997   34.612   81.202   39.660 -11.20456 52.63955 
1 1 1    4   21    1 o  1126.64   22.418  364.716   14.399  354.198   20.382  375.194   20.344  1110.30   32.190  1142.99   31.210 -32.69434 44.83635 
1 1 1    4   21    3 o  648.982   21.792  120.538   8.0527  129.319   11.762  112.791   11.048  671.173   30.729  626.791   30.908 44.38171 43.58397 
1 1 1    4   21    5 o  581.840   17.995   94.413   5.1783  102.098   10.524   91.957   5.9483  596.444   30.939  567.236   18.388 29.20850 35.99078 
1 1 1    4   21    7 o  489.734   20.060   69.347   4.7845   67.581   9.6954   69.915   5.5010  484.906   35.060  494.561   19.504 -9.655609 40.12028 
1 1 1    4   21    9 o  954.336   21.447  261.783   11.549  265.362   15.323  257.075   17.574  962.326   27.921  946.347   32.563 15.97937 42.89437 
1 1 1    4   21   11 o  689.890   33.529  136.709   13.192   0.0000   0.0000  136.709   13.192  ?   ?   689.890   33.529      ?      ? 
1 1 1    4   21   13 o  231.488   29.820   15.379   3.9367   0.0000   0.0000   15.379   3.9367  ?   ?   231.488   29.820      ?      ? 
1 1 1    4   21   15 f  731.659   15.538  151.646   6.2910  146.718   7.9257  160.040   10.343  716.110   19.407  747.209   24.272 -31.09882 31.07697 
1 1 1    4   21   17 o  896.402   16.539  231.658   8.3844  239.884   11.277  221.490   12.537  914.696   21.619  878.107   25.036 36.58862 33.07843 
1 1 1    4   21   19 o  240.786   20.364   16.640   2.7819   19.205   4.0923   14.436   3.7932  258.037   27.809  223.534   29.755 34.50278 40.72761 
1 1 1    4   21   21 o  430.784   23.486   54.108   5.7685   54.823   8.2695   53.430   8.0506  433.488   33.451  428.081   32.977 5.406921 46.97292 
1 1 1    4   21   23 o  322.593   22.838   30.741   4.1646   35.493   5.9146   26.068   5.8650  348.165   29.788  297.021   34.625 51.14413 45.67534 
1 1 1    4   21   25 o  187.404   30.313   9.9088   3.6726   2.4114   4.7940   20.559   5.7139  115.221   46.753  259.587   38.597 -144.3665 60.62654 
1 1 1    4   21   27 o  124.796   31.349   4.9241   2.8927   0.1656   5.9953   6.3681   3.3026  109.901   48.587  139.690   39.626 -29.78827 62.69742 
1 1 1    4   21   29 o  110.039   35.190   0.0061   4.6719   1.8210   7.1569  -1.3415   6.1673  118.787   52.773  101.291   46.566 17.49625 70.38022 
1 1 1    4   21   31 o   94.420   31.279  -0.7202   3.9104  -3.2825   7.7412   0.1576   4.5309   98.568   47.345   90.273   40.888 8.295090 62.55738 
1 1 1    4   21   33 o   89.148   30.393  -2.0369   4.7134   2.8818   6.5793  -7.2231   6.7558  100.218   46.768   78.078   38.828 22.14055 60.78533 
1 1 1    4   21   35 o  109.063   33.534   8.8478   3.8954   8.9759   5.3627   8.7047   5.6678  110.658   47.458  107.468   47.390 3.190224 67.06757 
1 1 1    4   22    0 f  509.710   23.826   75.319   9.6963   75.319   9.6963   75.319   9.6963  509.710   33.695  509.710   33.695 -0.000000 0.000000 
1 1 1    4   22    2 o  232.430   25.989   16.671   2.0751   14.749   6.0922   16.924   2.2071  221.437   49.488  243.423   15.899 -21.98567 51.97884 
1 1 1    4   22    4 o  1396.48   19.930  558.326   14.946  560.558   25.962  557.219   18.278  1397.38   32.578  1395.57   22.966 1.807129 39.85952 
1 1 1    4   22    6 o  1133.28   19.901  372.426   12.020  355.493   20.909  380.784   14.691  1112.77   32.949  1153.79   22.326 -41.02576 39.80116 
1 1 1    4   22    8 o  855.996   19.931  211.171   9.0923  206.652   15.924  213.357   11.075  848.376   32.914  863.616   22.487 -15.24030 39.86224 
1 1 1    4   22   12 o  463.709   22.624   61.748   5.2998   61.688   6.1959   61.911   10.231  464.141   23.408  463.278   38.723 0.8627319 45.24854 
1 1 1    4   22   14 o  771.239   14.745  170.327   6.4820  163.620   9.1372  177.121   9.1970  755.902   21.196  786.576   20.503 -30.67444 29.48950 
1 1 1    4   22   16 o  976.926   16.223  273.279   8.9903  268.072   12.055  279.803   13.494  966.755   21.866  987.097   23.972 -20.34253 32.44641 
1 1 1    4   22   18 o  510.176   17.971   74.763   4.9153   74.411   5.9992   75.481   8.5733  509.195   20.659  511.156   29.410 -1.961151 35.94123 
1 1 1    4   22   20 o  564.371   17.840   91.115   5.4397   94.889   9.4095   89.220   6.6667  571.925   28.849  556.817   20.995 15.10748 35.67974 
1 1 1    4   22   22 o  341.262   23.502   34.961   4.0548   35.801   4.7822   32.813   7.6479  351.347   23.867  331.177   40.494 20.17035 47.00422 
1 1 1    4   22   24 o  377.550   19.999   40.761   4.0527   46.261   7.2241   38.235   4.8956  393.557   32.187  361.544   23.744 32.01300 39.99729 
1 1 1    4   22   26 o  172.119   32.492   9.3861   3.0610   8.2769   3.6720   11.912   5.5415  158.917   40.422  185.322   50.882 -26.40489 64.98457 
1 1 1    4   22   28 f  239.442   40.034   21.545   5.3670   26.345   8.2127   17.967   7.0906  263.686   56.325  215.198   56.906 48.48788 80.06750 
1 1 1    4   22   30 o  120.006   37.425   2.6250   5.0796   9.6276   7.9204  -2.2674   6.6203  143.811   59.418   96.200   45.521 47.61138 74.85038 
1 1 1    4   22   32 o   81.358   27.529  -2.6395   3.7909   0.7105   4.7705  -8.3803   6.2448   88.389   40.753   74.326   37.022 14.06358 55.05801 
1 1 1    4   22   34 o   79.336   26.983   0.0807   3.5888  -0.5845   5.1269   0.7198   5.0252   77.699   37.619   80.973   38.693 -3.274063 53.96568 
1 1 1    4   23    1 o  264.515   28.525   21.208   3.8467   22.570   4.7052   18.464   6.6800  280.583   29.405  248.447   48.887 32.13608 57.04938 
1 1 1    4   23    3 o  956.401   22.491  261.656   12.267   0.0000   0.0000  261.656   12.267  ?   ?   956.401   22.491      ?      ? 
1 1 1    4   23    5 o  1616.19   23.460  747.464   21.623   0.0000   0.0000  747.464   21.623  ?   ?   1616.19   23.460      ?      ? 
1 1 1    4   23    7 o  1007.78   22.517  291.289   12.933  306.193   18.592  277.315   18.002  1032.80   31.565  982.772   32.121 50.02441 45.03466 
1 1 1    4   23    9 o  907.874   33.219  236.924   17.199   0.0000   0.0000  236.924   17.199  ?   ?   907.874   33.219      ?      ? 
1 1 1    4   23   11 o  361.082   44.550   37.800   9.1737   0.0000   0.0000   37.800   9.1737  ?   ?   361.082   44.550      ?      ? 
1 1 1    4   23   13 o  312.754   14.912   28.313   2.6222   25.942   3.9557   30.172   3.5023  300.812   23.059  324.695   18.914 -23.88245 29.82347 
1 1 1    4   23   15 o  429.549   22.058   53.331   5.3814   59.581   7.6884   47.329   7.5349  454.503   29.662  404.594   32.656 49.90900 44.11652 
1 1 1    4   23   17 o  181.828   39.380   9.9500   4.4975   11.415   6.3488   8.4738   6.3722  192.835   55.024  170.820   56.352 22.01440 78.76060 
1 1 1    4   23   19 o  410.412   20.322   48.772   4.3929   48.611   5.2831   49.131   7.9079  410.678   22.558  410.145   33.809 0.5324097 40.64333 
1 1 1    4   23   21 o  419.674   20.238   51.161   4.4500   50.681   5.3238   52.273   8.1067  418.432   22.310  420.915   33.772 -2.483673 40.47574 
1 1 1    4   23   23 o  219.965   26.637   15.038   3.2235   13.280   4.7353   16.556   4.4006  204.663   41.980  235.268   32.798 -30.60451 53.27304 
1 1 1    4   23   25 o  122.678   35.824   2.9754   4.0991   1.7133   5.9510   4.1148   5.6543  117.114   50.103  128.242   51.216 -11.12804 71.64767 
1 1 1    4   23   27 o  134.781   35.823   5.6964   3.4431   5.0673   4.0448   7.3517   6.5612  124.700   44.739  144.862   55.961 -20.16264 71.64644 
1 1 1    4   23   29 o  147.141   37.623   7.7630   5.3213  -5.3280   8.2891   16.940   6.9402   98.913   47.876  195.368   58.049 -96.45547 75.24525 
1 1 1    4   23   31 o  114.904   30.667   5.4457   3.6526  -8.7575   7.9427   9.2550   4.1134   83.724   41.711  146.084   44.967 -62.35956 61.33386 
1 1 1    4   23   33 o   85.945   27.462   1.6406   2.9179   5.3726   4.4331  -1.2119   3.8758  101.237   43.276   70.653   33.821 30.58411 54.92365 
1 1 1    4   24    2 o  803.396   18.687  182.940   7.5115  189.048   14.837  180.835   8.7102  811.424   32.063  795.368   19.203 16.05603 37.37376 
1 1 1    4   24    4 o  322.070   17.792   30.894   2.9671   32.784   3.5842   26.777   5.2891  338.674   18.557  305.465   30.362 33.20862 35.58392 
1 1 1    4   24    6 o  511.634   20.452   74.279   5.1328   76.728   10.442   73.498   5.8941  516.345   35.461  506.923   20.388 9.422180 40.90427 
1 1 1    4   24    8 o  131.260   44.630   4.6284   3.9935   0.0000   0.0000   4.6284   3.9935  ?   ?   131.260   44.630      ?      ? 
1 1 1    4   24   10 o  532.203   13.484   80.726   4.0597   83.444   6.1871   78.670   5.3797  539.942   20.093  524.466   17.986 15.47595 26.96746 
1 1 1    4   24   12 o  938.603   15.588  252.577   8.3432  253.786   11.865  251.394   11.734  940.809   22.114  936.397   21.974 4.412109 31.17517 
1 1 1    4   24   14 o  348.238   21.017   35.830   3.5836   33.354   7.1078   36.673   4.1497  338.868   36.780  357.609   20.348 -18.74106 42.03305 
1 1 1    4   24   16 o  422.371   23.066   51.795   5.5556   52.342   7.8985   51.259   7.8158  424.579   32.621  420.163   32.619 4.416138 46.13105 
1 1 1    4   24   18 o  496.143   21.965   71.792   6.1968   78.051   8.7713   65.555   8.7560  518.216   29.680  474.070   32.387 44.14597 43.92930 
1 1 1    4   24   20 o  331.733   22.400   31.718   3.4541   33.516   7.5832   31.247   3.8800  334.637   39.736  328.829   20.690 5.808167 44.79993 
1 1 1    4   24   22 o  192.646   36.020   12.592   3.9502   13.638   4.8569   10.548   6.7895  207.127   42.541  178.165   58.139 28.96188 72.04058 
1 1 1    4   24   24 o   77.933   25.844  -4.2642   2.9737  -1.0085   4.2849  -7.2889   4.1302   89.879   40.318   65.986   32.344 23.89365 51.68787 
1 1 1    4   24   26 o  152.229   46.532   6.8991   6.1070   9.5688   15.037   6.3717   6.6830  164.607   74.528  139.852   55.735 24.75502 93.06349 
1 1 1    4   24   28 o  211.430   39.321   18.691   4.8073   19.505   6.8472   17.900   6.7508  216.914   55.211  205.947   56.002 10.96648 78.64159 
1 1 1    4   24   30 o  110.069   30.686   4.7328   2.7327   4.9238   3.1867   4.2020   5.3124  112.318   39.773  107.821   46.741 4.496887 61.37277 
1 1 1    4   24   32 o   68.261   24.167  -6.6243   3.8071 -14.7623   7.6733  -3.9667   4.3849   69.454   35.349   67.068   32.965 2.385452 48.33478 
1 1 1    4   25    1 o  845.340   32.264  205.408   15.554   0.0000   0.0000  205.408   15.554  ?   ?   845.340   32.264      ?      ? 
1 1 1    4   25    3 f  770.700   16.428  170.116   7.2196  168.621   10.261  171.582   10.160  767.316   23.449  774.083   23.015 -6.767944 32.85612 
1 1 1    4   25    5 o  1017.08   18.350  291.927   8.9561  305.468   18.869  287.989   10.175  1030.53   32.107  1003.63   17.778 26.89905 36.69990 
1 1 1    4   25    7 o  498.272   25.063   71.208   7.1218   0.0000   0.0000   71.208   7.1218  ?   ?   498.272   25.063      ?      ? 
1 1 1    4   25    9 o  719.994   16.981  148.675   6.9597  147.883   9.5477  149.573   10.166  718.075   23.315  721.913   24.694 -3.838562 33.96128 
1 1 1    4   25   11 o  748.575   22.036  164.385   8.8031  154.116   15.185  169.584   10.804  728.956   36.527  768.193   24.661 -39.23730 44.07290 
1 1 1    4   25   13 o  165.144   38.792   7.8120   4.2801   6.9699   6.2347   8.5625   5.8862  159.924   55.709  170.365   53.999 -10.44052 77.58482 
1 1 1    4   25   15 o  375.688   20.387   39.488   4.0333   37.401   4.7953   44.535   7.4565  360.306   23.338  391.069   33.434 -30.76315 40.77331 
1 1 1    4   25   17 o  310.077   27.561   34.997   3.0441   20.613   7.4624   37.868   3.3342  256.803   52.721  363.351   16.090 -106.5486 55.12145 
1 1 1    4   25   19 o  357.684   25.394   37.706   5.1572   34.199   6.9233   42.077   7.7301  339.213   35.789  376.155   36.035 -36.94235 50.78714 
1 1 1    4   25   21 o  204.174   28.501   13.473   3.3027   5.8906   4.5940   21.584   4.7513  139.275   47.860  269.073   30.963 -129.7973 57.00263 
1 1 1    4   25   23 o  140.857   36.619   5.6673   3.6000   4.6141   4.2917   8.1677   6.6129  125.225   45.917  156.489   57.055 -31.26463 73.23721 
1 1 1    4   25   25 o   98.565   32.920  -3.9435   3.7228  -5.5658   4.1820   2.2510   8.1720   70.189   33.981  126.940   56.393 -56.75136 65.83968 
1 1 1    4   25   27 o  122.797   36.162   3.8985   3.9654   1.5753   4.7994   8.8959   7.0391  100.842   44.062  144.752   57.354 -43.91005 72.32467 
1 1 1    4   25   29 o  173.835   29.870   11.511   4.0676   24.774   5.9972   0.2121   5.5355  254.798   41.273   92.873   43.192 161.9252 59.74089 
1 1 1    4   25   31 o   82.597   27.444   0.6063   3.1742   0.1068   3.9735   1.4873   5.2769   77.430   36.204   87.764   41.254 -10.33425 54.88723 
1 1 1    4   26    0 o  486.724   18.452   68.345   7.1956   68.345   7.1956   68.345   7.1956  486.724   26.095  486.724   26.095 -0.000000 0.000000 
1 1 1    4   26    2 o  526.003   35.161   79.826   10.547   0.0000   0.0000   79.826   10.547  ?   ?   526.003   35.161      ?      ? 
1 1 1    4   26    4 o  358.864   29.564   37.044   6.0505   0.0000   0.0000   37.044   6.0505  ?   ?   358.864   29.564      ?      ? 
1 1 1    4   26    6 o  172.649   34.778   8.9123   3.3058   0.0000   0.0000   8.9123   3.3058  ?   ?   172.649   34.778      ?      ? 
1 1 1    4   26    8 o  454.912   21.314   60.617   3.2474   58.511   10.382   60.845   3.4190  448.378   40.600  461.447   12.992 -13.06857 42.62836 
1 1 1    4   26   10 o  477.290   21.601   62.074   4.4801   71.750   11.015   60.157   4.9040  496.393   38.912  458.187   18.768 38.20630 43.20122 
1 1 1    4   26   12 o  318.873   23.259   30.875   3.8279   33.113   4.6351   26.073   6.7885  339.196   23.961  298.550   39.871 40.64612 46.51750 
1 1 1    4   26   14 o  116.863   33.849   1.7731   3.4240   1.7543   4.1813   1.8113   5.9657  108.732   43.823  124.993   51.599 -16.26119 67.69712 
1 1 1    4   26   16 o  379.222   15.739   41.659   3.3892   37.528   4.8185   45.705   4.7679  360.292   23.451  398.151   20.998 -37.85910 31.47835 
1 1 1    4   26   18 o  348.727   17.953   35.474   3.5676   33.742   5.0264   37.233   5.0645  339.979   25.925  357.475   24.842 -17.49664 35.90605 
1 1 1    4   26   20 o  271.400   34.667   23.969   5.1679   24.370   7.3480   23.576   7.2697  273.817   48.847  268.982   49.205 4.835236 69.33384 
1 1 1    4   26   22 o  194.802   28.771   12.810   3.1616   17.204   4.3271   7.7776   4.6306  237.520   31.945  152.083   47.859 85.43692 57.54119 
1 1 1    4   26   24 o  156.504   39.735   8.7284   4.0362   9.2443   9.0734   8.6011   4.5067  157.427   64.153  155.581   46.903 1.845901 79.46986 
1 1 1    4   26   26 f  189.216   38.266   15.538   4.3364   13.219   8.2278   16.429   5.1027  165.466   62.978  212.967   43.484 -47.50150 76.53174 
1 1 1    4   26   28 o   97.049   31.191   0.4148   3.8944   5.0642   5.7101  -3.6287   5.3251  113.830   48.898   80.269   38.735 33.56103 62.38148 
1 1 1    4   26   30 o  103.445   32.170   4.8148   3.9211   0.5432   5.7461   8.5374   5.3642   87.048   41.535  119.842   49.137 -32.79369 64.33966 
1 1 1    4   27    1 o  207.709   35.780   13.745   4.1881   9.4673   7.3213   15.825   5.1061  181.884   60.422  233.533   38.340 -51.64957 71.55948 
1 1 1    4   27    3 o  650.178   34.048  122.277   12.625   0.0000   0.0000  122.277   12.625  ?   ?   650.178   34.048      ?      ? 
1 1 1    4   27    5 o  492.549   16.760   69.594   4.5454   69.323   5.7223   70.058   7.4822  491.718   20.406  493.379   26.592 -1.661285 33.51948 
1 1 1    4   27    7 o  346.517   27.339   36.189   4.4610   32.720   9.2591   37.238   5.0909  333.215   48.725  359.819   24.809 -26.60358 54.67748 
1 1 1    4   27    9 o  273.971   22.029   21.468   3.3167   20.790   4.1389   22.684   5.5445  268.503   27.030  279.439   34.792 -10.93588 44.05825 
1 1 1    4   27   11 o  219.761   41.553   15.180   5.1473   14.753   8.7988   15.402   6.3466  216.715   65.583  222.807   51.044 -6.092255 83.10546 
1 1 1    4   27   13 o  224.688   42.610   16.144   5.4169   15.271   9.2564   16.598   6.6801  218.986   67.463  230.391   52.068 -11.40440 85.21926 
1 1 1    4   27   15 o  146.129   36.551   6.0346   3.7635   6.8577   4.6569   4.4848   6.3902  150.639   48.060  141.619   55.082 9.020172 73.10118 
1 1 1    4   27   17 o  370.019   21.837   39.641   4.2455   38.347   5.0653   42.697   7.7836  362.525   24.501  377.513   36.154 -14.98825 43.67348 
1 1 1    4   27   19 o  374.708   22.391   41.472   4.3968   43.895   8.0496   40.442   5.2489  378.771   37.265  370.646   24.832 8.125275 44.78114 
1 1 1    4   27   21 o  141.870   36.357   6.3755   3.6404   6.3282   4.4139   6.4762   6.4375  139.121   46.922  144.619   55.547 -5.497391 72.71339 
1 1 1    4   27   25 o  117.580   38.869   0.4506   6.4922  -1.8906   9.0868   2.8919   9.2789  111.117   52.796  124.044   57.060 -12.92694 77.73859 
1 1 1    4   27   27 o   83.331   27.637  -1.0862   3.2281  -1.1558   4.1004  -0.9727   5.2350   79.054   36.902   87.608   41.151 -8.553925 55.27351 
1 1 1    4   27   29 o  118.669   32.220   5.8121   3.9946  -4.0830   5.8392   14.516   5.4766   76.726   37.776  160.613   52.206 -83.88683 64.44016 
1 1 1    4   28    2 o  993.536   33.031  285.932   18.715   0.0000   0.0000  285.932   18.715  ?   ?   993.536   33.031      ?      ? 
1 1 1    4   28    4 o  541.376   26.361   84.445   8.1386   0.0000   0.0000   84.445   8.1386  ?   ?   541.376   26.361      ?      ? 
1 1 1    4   28    6 o  572.709   22.254   97.372   6.1144   90.652   12.479   99.495   7.0142  556.823   39.297  588.596   20.896 -31.77240 44.50718 
1 1 1    4   28    8 o  409.080   22.052   43.423   3.5762   56.257   10.086   41.578   3.8246  437.426   40.433  380.735   17.615 56.69086 44.10307 
1 1 1    4   28   10 o  314.583   30.412   29.247   3.7856   30.282   9.6584   29.059   4.1148  311.655   56.419  317.511   22.725 -5.856354 60.82400 
1 1 1    4   28   12 o  176.913   41.951   9.6215   5.1124   5.0493   8.8196   11.935   6.2740  159.377   63.853  194.448   54.427 -35.07095 83.90194 
1 1 1    4   28   14 o  193.076   39.775   12.051   4.7458   9.0969   6.8096   14.840   6.6175  171.943   58.280  214.209   54.144 -42.26636 79.54996 
1 1 1    4   28   16 o  387.536   19.666   41.709   3.5040   48.710   7.9926   40.044   3.8986  403.007   34.776  372.064   18.374 30.94263 39.33194 
1 1 1    4   28   18 o  144.808   38.733   5.4700   4.6253   9.5763   6.5853   1.4719   6.4979  168.402   57.311  121.214   52.119 47.18772 77.46590 
1 1 1    4   28   20 o  132.490   35.943   3.8666   3.8387   0.8066   4.7982   9.3080   6.3984  102.957   44.527  162.023   56.436 -59.06632 71.88652 
1 1 1    4   28   24 o  122.835   37.985   2.0364   4.1372   12.154   9.1138  -0.5896   4.6432  156.186   64.045   89.483   40.864 66.70321 75.97095 
1 1 1    4   28   26 o   94.556   29.782   1.3423   3.4584  -3.8968   6.1222   3.7977   4.1912   84.639   41.010  104.474   43.199 -19.83518 59.56470 
1 1 1    4   28   28 o  110.612   33.850   6.7753   3.9613   5.6679   5.7735   7.7603   5.4452  105.275   47.041  115.949   48.688 -10.67412 67.70079 
1 1 1    4   29    3 o  247.693   46.091   18.724   6.2710   0.0000   0.0000   18.724   6.2710  ?   ?   247.693   46.091      ?      ? 
1 1 1    4   29    5 o  607.531   22.901  107.012   7.4025  108.728   13.105  106.209   8.9707  608.844   37.743  606.217   25.948 2.627747 45.80182 
1 1 1    4   29    7 o  317.899   35.247   40.954   2.9750   20.083   10.145   42.917   3.1118  248.665   69.070  387.133   14.095 -138.4682 70.49370 
1 1 1    4   29    9 o  310.161   19.816   27.943   3.4840   27.873   4.6770   28.030   5.2223  310.040   26.452  310.283   29.513 -0.2427673 39.63239 
1 1 1    4   29   11 o  190.739   43.025   11.691   5.1941   9.9861   8.9283   12.563   6.3859  183.596   66.394  197.883   54.742 -14.28712 86.05078 
1 1 1    4   29   13 o  120.558   35.936   2.1630   3.6473  -2.8263   8.8106   3.1949   4.0068  125.234   56.840  115.882   43.986 9.351982 71.87216 
1 1 1    4   29   15 o  185.009   36.180   10.716   3.6494   13.023   6.9221   9.8284   4.2948  195.285   57.962  174.733   43.316 20.55229 72.35926 
1 1 1    4   29   17 o  165.528   34.634   6.7261   3.7472   17.156   6.6180   1.8044   4.5462  223.222   52.812  107.834   44.822 115.3883 69.26848 
1 1 1    4   29   19 o   97.774   30.001   0.3951   3.1290   1.7916   4.4965  -0.9160   4.3569  105.515   44.272   90.033   40.499 15.48219 60.00144 
1 1 1    4   29   23 o  114.693   35.257   3.2963   4.3647   1.1902   6.2659   5.2814   6.0833  106.025   48.048  123.361   51.610 -17.33607 70.51354 
1 1 1    4   29   25 o   96.132   29.269   2.4013   2.9544   0.9582   4.2554   3.7442   4.1049   88.765   39.968  103.500   42.770 -14.73454 58.53776 
1 1 1    4   29   27 o  115.693   33.814   6.7204   3.3525   10.745   6.2337   5.0827   3.9765  126.927   52.599  104.460   42.508 22.46798 67.62815 
1 1 1    4   30    0 o  232.417   48.225   19.489   7.8533   19.489   7.8533   19.489   7.8533  232.417   68.201  232.417   68.201 -0.000000 0.000000 
1 1 1    4   30    2 f  372.067   33.741   41.508   7.1127   35.765   9.9160   47.595   10.208  344.463   50.478  399.672   44.787 -55.20828 67.48263 
1 1 1    4   30    4 o  328.838   22.846   31.211   4.2843   0.0000   0.0000   31.211   4.2843  ?   ?   328.838   22.846      ?      ? 
1 1 1    4   30    6 o  602.754   27.302  107.634   9.3835  105.427   13.254  109.852   13.286  596.346   38.973  609.162   38.245 -12.81610 54.60387 
1 1 1    4   30    8 o  492.580   23.057   67.389   5.6609   79.990   11.562   63.415   6.4925  517.754   39.156  467.406   24.357 50.34805 46.11354 
1 1 1    4   30   10 o  146.119   39.206   5.2356   3.9129   6.2117   8.4177   4.9665   4.4193  159.532   62.874  132.706   46.855 26.82631 78.41248 
1 1 1    4   30   12 o  218.878   40.184   17.447   5.5124   8.1833   9.5333   22.100   6.7564  170.643   67.020  267.113   44.354 -96.46999 80.36730 
1 1 1    4   30   14 o  393.309   30.120   46.308   6.4741   56.301   11.209   41.307   7.9306  420.071   46.792  366.546   37.939 53.52463 60.23941 
1 1 1    4   30   16 o  150.289   36.446   7.3979   3.5670   7.4518   6.6689   7.3763   4.2216  151.758   56.938  148.821   45.512 2.936279 72.89245 
1 1 1    4   30   18 o  123.255   39.613   0.0692   6.0899  -1.1549   8.6019   1.2992   8.6230  119.367   54.920  127.143   57.102 -7.775818 79.22694 
1 1 1    4   30   22 f  156.320   30.831   9.5562   3.0294   12.490   4.1480   6.2031   4.4347  185.730   40.319  126.910   46.654 58.81958 61.66230 
1 1 1    4   30   24 o   75.384   24.994  -2.5563   2.8807  -6.9820   4.2108   1.3373   3.9495   62.476   30.999   88.293   39.215 -25.81694 49.98727 
1 1 1    4   30   26 o   70.077   24.071  -3.4060   2.9975   0.0862   4.4571  -6.2899   4.0503   80.231   37.775   59.923   29.842 20.30809 48.14101 
1 1 1    4   31    1 o  127.110   37.352  -0.0990   4.6911  -4.6802   6.1495   6.2774   7.2550   97.927   45.537  156.293   59.222 -58.36645 74.70467 
1 1 1    4   31    3 o  458.773   22.853   61.570   3.5272   62.435   11.275   61.477   3.7135  454.652   43.487  462.894   14.067 -8.241394 45.70578 
1 1 1    4   31    5 o  620.354   39.047  115.385   13.814   0.0000   0.0000  115.385   13.814  ?   ?   620.354   39.047      ?      ? 
1 1 1    4   31    7 o  190.034   34.221   10.225   3.7648   5.9845   4.6653   18.141   6.3746  141.753   48.238  238.315   48.552 -96.56204 68.44188 
1 1 1    4   31    9 o  212.548   37.656   11.829   3.7378   21.543   8.9118   9.7556   4.1174  249.888   62.652  175.209   41.793 74.67928 75.31261 
1 1 1    4   31   11 o  199.555   43.195   12.403   5.3138   20.550   9.0790   8.1576   6.5536  239.062   64.919  160.048   56.999 79.01408 86.39029 
1 1 1    4   31   13 o  149.189   40.052   5.8991   3.8783   9.4026   9.0159   5.1036   4.2961  168.616   65.470  129.762   46.156 38.85336 80.10386 
1 1 1    4   31   15 o  141.133   37.562   5.7343   4.1883   2.9486   5.5383   9.4555   6.4011  119.494   49.554  162.771   56.462 -43.27673 75.12331 
1 1 1    4   31   17 o  160.916   65.041   10.041   9.2392   0.0000   0.0000   10.041   9.2392  ?   ?   160.916   65.041      ?      ? 
1 1 1    4   31   19 o  152.088   49.218   8.8816   4.8708   0.0000   0.0000   8.8816   4.8708  ?   ?   152.088   49.218      ?      ? 
1 1 1    4   31   21 o  131.802   30.935   7.0741   3.4732   10.944   4.1560  -1.8880   6.3243  169.452   42.951   94.153   44.533 75.29949 61.87043 
1 1 1    4   31   23 o   99.498   32.303   1.8113   4.2729  -1.3938   6.0680   4.9637   6.0179   88.732   42.433  110.264   48.717 -21.53194 64.60574 
1 1 1    4   31   25 o   78.037   26.745  -1.5513   3.4913  -2.3717   4.3489  -0.0642   5.8555   71.312   34.556   84.762   40.831 -13.45042 53.49097 
1 1 1    4   32    0 o  364.701   33.692   41.409   9.4417   41.409   9.4417   41.409   9.4417  364.701   47.647  364.701   47.647 0.000000 0.000000 
1 1 1    4   32    2 o  499.808   12.626   72.730   3.4641   70.011   5.6733   74.346   4.3741  491.376   20.245  508.240   15.091 -16.86456 25.25129 
1 1 1    4   32    4 o  164.129   40.688   7.8122   4.1728   9.8002   8.6932   7.2170   4.7565  176.843   65.271  151.415   48.600 25.42783 81.37682 
1 1 1    4   32    6 o  393.816   32.122   46.385   7.2143   0.0000   0.0000   46.385   7.2143  ?   ?   393.816   32.122      ?      ? 
1 1 1    4   32    8 o  210.977   41.943   16.308   5.3608   11.741   9.0809   18.752   6.6416  184.450   66.919  237.504   50.585 -53.05331 83.88680 
1 1 1    4   32   10 o  110.466   32.151   0.8566   3.7189   5.1071   4.6953  -6.2982   6.0918  131.408   48.051   89.525   42.730 41.88326 64.30234 
1 1 1    4   32   12 o  127.872   34.230   2.4933   3.5665  -1.2433   4.3868   9.7782   6.1253   89.451   40.400  166.294   55.268 -76.84306 68.45971 
1 1 1    4   32   14 o  145.514   40.267   6.1933   4.2840   5.0362   4.9119   9.8708   8.7568  128.141   48.687  162.888   64.150 -34.74675 80.53320 
1 1 1    4   32   18 o  125.163   38.409   2.1023   4.2670  -0.8564   4.8231   12.760   9.1538   90.143   41.345  160.183   64.742 -70.04034 76.81731 
1 1 1    4   32   20 o  113.004   31.098   4.8450   2.9385   1.1613   6.3368   5.8541   3.3167  102.241   47.077  123.767   40.647 -21.52602 62.19629 
1 1 1    4   32   22 o  105.606   30.686   3.8992   3.1456   0.6229   4.2986   7.6759   4.6152   85.129   39.040  126.082   47.355 -40.95370 61.37260 
1 1 1    4   32   24 o   78.006   26.696  -1.0060   3.2647   0.9959   6.0272  -1.8373   3.8838   86.868   41.739   69.145   33.294 17.72340 53.39152 
1 1 1    4   33    1 o  190.919   43.526   12.895   5.4425   14.354   7.2351   10.993   8.2600  202.453   59.032  179.386   63.979 23.06709 87.05219 
1 1 1    4   33    3 o  336.412   18.903   33.533   3.5679   33.464   4.6510   33.630   5.5617  337.157   24.189  335.666   29.054 1.491058 37.80540 
1 1 1    4   33    5 o  278.669   35.035   24.381   4.6611   28.151   9.5576   23.205   5.3390  281.254   61.317  276.085   33.910 5.168884 70.06924 
1 1 1    4   33    7 o  197.341   51.034   13.411   5.7862   0.0000   0.0000   13.411   5.7862  ?   ?   197.341   51.034      ?      ? 
1 1 1    4   33    9 o  128.649   37.115   4.0858   3.8928   2.6056   8.2427   4.5107   4.4163  133.042   57.947  124.255   46.390 8.786545 74.22911 
1 1 1    4   33   11 o  215.290   39.607   17.017   4.4429   17.378   9.2558   16.909   5.0645  204.208   67.942  226.372   40.728 -22.16382 79.21438 
1 1 1    4   33   13 o  210.247   47.796   19.500   6.6624   23.423   9.3916   15.526   9.4528  233.836   66.991  186.659   68.191 47.17636 95.59152 
1 1 1    4   33   15 o  152.664   64.563   9.9806   9.6858   0.0000   0.0000   9.9806   9.6858  ?   ?   152.664   64.563      ?      ? 
1 1 1    4   33   17 o  224.292   44.577   24.336   5.8991   24.367   7.2286   24.273   10.207  243.390   53.534  205.194   71.291 38.19533 89.15369 
1 1 1    4   33   19 f  100.707   31.968   1.7601   3.5797   0.1047   4.3690   5.1411   6.2438   86.294   39.495  115.121   50.280 -28.82751 63.93652 
1 1 1    4   33   21 o   65.932   23.421  -8.3502   3.4635  -9.8329   4.3278  -5.7091   5.7762   56.925   28.694   74.938   37.024 -18.01315 46.84129 
1 1 1    4   33   23 o   70.308   24.836  -6.0254   4.0880  -7.3567   5.7176  -4.6330   5.8472   67.736   33.988   72.880   36.223 -5.143776 49.67192 
1 1 1    4   34    0 o   92.468   41.830   1.7976   6.9985   1.7976   6.9985   1.7976   6.9985   92.468   59.156   92.468   59.156 -0.000000 0.000000 
1 1 1    4   34    2 o  114.317   32.666   2.0653   3.7089  -5.3232   6.5105   5.6151   4.5127   95.099   45.041  133.536   47.325 -38.43713 65.33266 
1 1 1    4   34    4 o  128.842   33.095   5.0652   3.1612   5.9435   4.4710   4.1872   4.4701  135.700   47.181  121.984   46.422 13.71687 66.18980 
1 1 1    4   34    6 o  150.055   36.919   8.1113   4.0799   1.5649   8.4666   10.091   4.6562  129.022   57.355  171.089   46.503 -42.06686 73.83878 
1 1 1    4   34    8 o  177.502   51.815   11.461   5.5714   0.0000   0.0000   11.461   5.5714  ?   ?   177.502   51.815      ?      ? 
1 1 1    4   34   10 o  124.184   36.860   0.5437   4.1675   10.744   7.9808  -3.2804   4.8866  163.853   62.107   84.515   39.718 79.33747 73.72066 
1 1 1    4   34   12 o  160.935   39.432   10.312   4.1747   9.9794   8.7025   10.412   4.7580  154.532   62.884  167.338   47.595 -12.80588 78.86469 
1 1 1    4   34   14 o  138.709   60.875   7.6634   9.2508   0.0000   0.0000   7.6634   9.2508  ?   ?   138.709   60.875      ?      ? 
1 1 1    4   34   16 o  124.284   33.718   2.8558   3.7886  -3.2916   4.7410   13.718   6.3019   78.461   37.517  170.107   56.037 -91.64649 67.43652 
1 1 1    4   34   18 o   91.143   30.109  -0.4999   3.7126  -3.0197   4.6876   3.7406   6.0811   76.227   36.673  106.059   47.764 -29.83189 60.21860 
1 1 1    4   34   20 o   75.311   26.335  -5.4439   4.1812  -2.6119   5.8514  -8.3987   5.9768   80.404   39.214   70.217   35.163 10.18742 52.67058 
1 1 1    4   34   22 o   77.270   26.664  -0.9080   3.6900  -1.6412   4.6511   0.3374   6.0617   72.357   35.217   82.183   40.044 -9.825836 53.32722 
1 1 1    4   35    1 o  104.490   31.356   1.6929   3.2217  -2.9165   6.4258   3.2406   3.7236   99.647   46.407  109.334   42.179 -9.687576 62.71117 
1 1 1    4   35    3 o  155.886   38.041   8.9780   4.4281   4.3448   7.0253   12.032   5.7037  131.219   55.212  180.552   52.346 -49.33328 76.08214 
1 1 1    4   35    5 o  312.899   17.781   29.306   3.1214   31.177   4.9291   28.053   4.0332  319.783   27.028  306.014   23.111 13.76907 35.56152 
1 1 1    4   35    7 o   94.715   30.612  -1.5966   3.6939   0.9109   5.5598  -3.5782   4.9424  105.848   46.793   83.581   39.482 22.26674 61.22449 
1 1 1    4   35    9 o  116.334   50.379   2.8769   6.1586   0.0000   0.0000   2.8769   6.1586  ?   ?   116.334   50.379      ?      ? 
1 1 1    4   35   11 o  124.835   51.983   5.2355   6.1307   0.0000   0.0000   5.2355   6.1307  ?   ?   124.835   51.983      ?      ? 
1 1 1    4   35   13 o   92.066   42.034   0.0000   4.9099   0.0000   0.0000   0.0000   4.9099  ?   ?    92.066   42.034      ?      ? 
1 1 1    4   35   15 o  162.413   39.400   15.100   5.4180   5.8075   9.2452   19.961   6.6865  119.711   55.722  205.115   55.717 -85.40466 78.79960 
1 1 1    4   35   17 o  127.402   37.699   9.9411   5.2450   2.7950   8.9816   13.639   6.4612  104.365   50.349  150.438   56.122 -46.07265 75.39715 
1 1 1    4   35   19 o   84.950   29.049  -0.2266   4.2994  -1.5148   6.1038   1.0420   6.0571   81.938   39.982   87.962   42.152 -6.023735 58.09772 
1 1 1    4   36    0 f   55.345   28.139  -8.7589   6.1146  -8.7589   6.1146  -8.7589   6.1146   55.345   39.794   55.345   39.794 -0.000000 0.000000 
1 1 1    4   36    2 o  218.456   44.028   20.466   5.7363   20.012   7.7477   21.016   8.5337  218.671   60.216  218.242   64.247 0.4287415 88.05519 
1 1 1    4   36    4 o  274.820   36.411   30.558   5.1727   20.832   8.4979   36.283   6.5197  215.289   64.295  334.352   34.192 -119.0624 72.82124 
1 1 1    4   36    6 o  247.398   39.553   22.487   5.1568   33.046   9.3487   17.870   6.1825  280.576   60.227  214.219   51.287 66.35677 79.10565 
1 1 1    4   36    8 o  101.979   31.789   1.5129   3.4578   2.8562   5.8052   0.7742   4.3047  111.101   48.504   92.857   41.106 18.24438 63.57892 
1 1 1    4   36   10 o  159.849   52.275   11.209   5.4878   0.0000   0.0000   11.209   5.4878  ?   ?   159.849   52.275      ?      ? 
1 1 1    4   36   12 o   64.257   31.221  -4.2091   3.6135   0.0000   0.0000  -4.2091   3.6135  ?   ?    64.257   31.221      ?      ? 
1 1 1    4   36   14 o  110.922   36.077   4.6536   4.9677   8.1311   8.5537   2.8837   6.1023  120.215   55.109  101.629   46.574 18.58519 72.15320 
1 1 1    4   36   16 o   99.092   33.466   2.7229   4.9883   7.1724   8.4684   0.3587   6.1728  109.105   51.583   89.078   42.652 20.02689 66.93263 
1 1 1    4   36   18 o   95.450   30.572   2.4748   2.9890  -0.0995   3.4067   11.086   6.2306   71.237   33.376  119.664   51.232 -48.42699 61.14494 
1 1 1    4   37    1 o  447.420   30.874   72.769   7.8626   67.381   10.792   78.864   11.478  428.764   44.136  466.076   43.184 -37.31238 61.74859 
1 1 1    4   37    3 o  226.286   43.573   23.899   5.8759   19.251   8.0429   29.219   8.6050  196.617   63.206  255.954   59.996 -59.33672 87.14655 
1 1 1    4   37    5 o  205.496   37.095   17.939   4.1653   18.179   7.7347   17.841   4.9433  189.583   62.063  221.410   40.648 -31.82642 74.18913 
1 1 1    4   37    7 o  107.943   34.470   2.6046   3.9759   4.2909   8.2044   2.0870   4.5453  117.818   53.996   98.067   42.863 19.75060 68.94099 
1 1 1    4   37    9 o  141.430   51.298   9.5101   5.3355   0.0000   0.0000   9.5101   5.3355  ?   ?   141.430   51.298      ?      ? 
1 1 1    4   37   11 o   66.618   23.884  -7.5813   3.2076 -11.4062   7.5010  -6.7253   3.5484   77.209   38.767   56.028   27.908 21.18074 47.76728 
1 1 1    4   37   13 o   99.686   32.493   2.6825   3.2259   8.8251   8.1904   1.5547   3.5095  115.786   53.389   83.586   37.053 32.20056 64.98682 
1 1 1    4   37   15 o   87.590   29.381   0.7975   3.8312  -2.4116   4.9468   5.6075   6.0564   74.103   36.122  101.076   46.349 -26.97318 58.76237 
1 1 1    4   37   17 o   72.197   35.874  -6.7205   4.6765 -13.4187   8.1228  -3.3994   5.7195  ?   ?    72.197   35.874      ?      ? 
1 1 1    4   38    0 o  210.618   52.745   22.214   8.1511   22.214   8.1511   22.214   8.1511  210.618   74.593  210.618   74.593 0.000000 0.000000 
1 1 1    4   38    2 o  164.390   40.421   13.952   4.5736   15.747   7.2736   12.777   5.8818  167.672   60.012  161.108   54.167 6.563522 80.84251 
1 1 1    4   38    4 o  133.211   36.829   8.9843   4.3536   5.2988   6.9696   11.343   5.5752  114.836   51.472  151.586   52.687 -36.75012 73.65711 
1 1 1    4   38    6 o   99.790   44.806   2.7355   5.3056   0.0000   0.0000   2.7355   5.3056  ?   ?    99.790   44.806      ?      ? 
1 1 1    4   38    8 o   99.713   40.634   3.7849   3.6401   0.0000   0.0000   3.7849   3.6401  ?   ?    99.713   40.634      ?      ? 
1 1 1    4   38   10 o   71.471   33.207  -0.4708   3.2596   0.0000   0.0000  -0.4708   3.2596  ?   ?    71.471   33.207      ?      ? 
1 1 1    4   38   12 o   98.804   32.555   4.7285   4.3360   4.8835   8.2101   4.6685   5.1062   99.106   47.892   98.502   44.111 0.6042557 65.11060 
1 1 1    4   38   14 o   86.981   28.979   2.7863   3.6573   2.6475   4.6076   3.0228   6.0128   85.567   39.661   88.396   42.263 -2.828842 57.95842 
1 1 1    4   39    1 o  126.771   37.188   8.8738   4.4172   13.979   6.9200   5.3633   5.7383  145.700   57.139  107.841   47.613 37.85822 74.37650 
1 1 1    4   39    3 o   91.420   30.083   0.8752   4.0457  -4.4373   6.4803   4.2683   5.1790   80.825   39.795  102.015   45.127 -21.19027 60.16690 
1 1 1    4   39    5 o   74.378   34.993  -0.7469   3.8113   0.0000   0.0000  -0.7469   3.8113  ?   ?    74.378   34.993      ?      ? 
1 1 1    4   39    7 o  119.150   44.137   7.1715   3.9823   0.0000   0.0000   7.1715   3.9823  ?   ?   119.150   44.137      ?      ? 
1 1 1    4   39    9 o  116.467   45.242   1.6350   3.8156 -20.1739   8.2265   7.6125   4.3069  ?   ?   116.467   45.242      ?      ? 
1 1 1    4   39   11 o   76.398   36.151   0.5385   4.1761   0.0000   0.0000   0.5385   4.1761  ?   ?    76.398   36.151      ?      ? 
1 1 1    4   40    0 o   77.030   32.751   3.5707   3.6766   3.5707   3.6766   3.5707   3.6766   77.030   46.317   77.030   46.317 -0.000000 0.000000 
1 1 1    4   40    2 o   76.664   35.861   0.4070   3.9058   0.0000   0.0000   0.4070   3.9058  ?   ?    76.664   35.861      ?      ? 
1 1 1    4   40    4 o  128.322   51.352   11.810   5.6971   0.0000   0.0000   11.810   5.6971  ?   ?   128.322   51.352      ?      ? 
1 1 1    4   40    6 o   69.469   24.122  -2.0377   2.9823  -5.3324   6.3899  -1.1201   3.3721   72.702   36.401   66.236   31.663 6.465874 48.24492 
1 1 1    5    0    1 o  1246.85   15.544  443.961   15.620  443.961   15.620  443.961   15.620  1246.85   21.983  1246.85   21.983 0.000000 0.000000 
1 1 1    5    0    3 o  676.625   14.919  130.989   8.1232  130.989   8.1232  130.989   8.1232  676.625   21.098  676.625   21.098 -0.000000 0.000000 
1 1 1    5    0    5 o  916.966   21.545  240.773   15.893  240.773   15.893  240.773   15.893  916.966   30.469  916.966   30.469 0.000000 0.000000 
1 1 1    5    0    7 o  371.719   8.1006   39.517   2.4233   39.517   2.4233   39.517   2.4233  371.719   11.456  371.719   11.456 -0.000000 0.000000 
1 1 1    5    0    9 o  1298.08   15.522  481.147   16.240  481.147   16.240  481.147   16.240  1298.08   21.952  1298.08   21.952 -0.000000 0.000000 
1 1 1    5    0   11 o  1087.13   12.378  337.424   10.846  337.424   10.846  337.424   10.846  1087.13   17.504  1087.13   17.504 -0.000000 0.000000 
1 1 1    5    0   13 o  1239.85   11.197  438.839   11.192  438.839   11.192  438.839   11.192  1239.85   15.834  1239.85   15.834 -0.000000 0.000000 
1 1 1    5    0   15 o  147.523   28.965   7.5085   2.9810   7.5085   2.9810   7.5085   2.9810  147.523   40.962  147.523   40.962 0.000000 0.000000 
1 1 1    5    0   17 o  488.668   8.4108   68.260   3.3104   68.260   3.3104   68.260   3.3104  488.668   11.895  488.668   11.895 0.000000 0.000000 
1 1 1    5    0   19 o   74.845   30.058   2.0991   2.8166   2.0991   2.8166   2.0991   2.8166   74.845   42.508   74.845   42.508 0.000000 0.000000 
1 1 1    5    0   21 o   59.502   27.038   0.0615   2.9640   0.0615   2.9640   0.0615   2.9640   59.502   38.237   59.502   38.237 -0.000000 0.000000 
1 1 1    5    0   23 o  346.645   14.873   34.688   4.1229   34.688   4.1229   34.688   4.1229  346.645   21.033  346.645   21.033 -0.000000 0.000000 
1 1 1    5    0   25 o  730.580   16.416  152.986   9.6507  152.986   9.6507  152.986   9.6507  730.580   23.216  730.580   23.216 0.000000 0.000000 
1 1 1    5    0   27 o  325.112   18.070   30.815   4.6707   30.815   4.6707   30.815   4.6707  325.112   25.555  325.112   25.555 -0.000000 0.000000 
1 1 1    5    0   29 o  176.656   35.302   10.942   4.3556   10.942   4.3556   10.942   4.3556  176.656   49.924  176.656   49.924 0.000000 0.000000 
1 1 1    5    0   31 f  142.887   46.113   8.9206   5.7776   8.9206   5.7776   8.9206   5.7776  142.887   65.214  142.887   65.214 -0.000000 0.000000 
1 1 1    5    0   33 o   52.040   25.686  -3.4999   3.9374  -3.4999   3.9374  -3.4999   3.9374   52.040   36.326   52.040   36.326 0.000000 0.000000 
1 1 1    5    0   35 o   57.429   29.339 -11.4965   7.0292 -11.4965   7.0292 -11.4965   7.0292   57.429   41.491   57.429   41.491 0.000000 0.000000 
1 1 1    5    0   37 o   63.769   31.246  -2.7399   5.5505  -2.7399   5.5505  -2.7399   5.5505   63.769   44.189   63.769   44.189 0.000000 0.000000 
1 1 1    5    0   39 o   72.677   32.292   2.4367   3.9593   2.4367   3.9593   2.4367   3.9593   72.677   45.668   72.677   45.668 -0.000000 0.000000 
1 1 1    5    1    0 o  851.273   14.975  207.128   10.267  207.128   10.267  207.128   10.267  851.273   21.177  851.273   21.177 -0.000000 0.000000 
1 1 1    5    1    2 o  258.178   12.096   19.240   1.3190   19.350   1.4447   18.692   3.2324  260.471   9.7258  255.885   22.151 4.586807 24.19215 
1 1 1    5    1    4 o  2084.38   24.577  1241.99   29.214  1247.67   41.303  1236.32   41.328  2089.15   34.667  2079.60   34.847 9.551514 49.15434 
1 1 1    5    1    6 o  676.971   13.399  130.116   5.0337  133.573   8.1654  127.997   6.3930  684.136   20.929  669.806   16.736 14.32965 26.79771 
1 1 1    5    1    8 o  795.810   12.144  180.901   5.5048  174.999   7.8963  186.481   7.6782  783.153   17.680  808.466   16.654 -25.31299 24.28836 
1 1 1    5    1   10 o  609.149   14.629  105.994   5.0770  111.377   7.1795  100.609   7.1804  624.646   20.154  593.651   21.209 30.99506 29.25807 
1 1 1    5    1   12 o  948.472   11.294  256.603   6.0183  255.757   7.8567  257.804   9.3624  946.665   14.553  950.280   17.276 -3.614807 22.58864 
1 1 1    5    1   14 o  844.073   11.700  203.156   5.6120  199.324   7.5890  207.781   8.3365  835.362   15.930  852.784   17.142 -17.42291 23.40096 
1 1 1    5    1   16 o  719.531   12.364  148.054   5.0733  150.068   7.1894  146.057   7.1602  724.414   17.403  714.648   17.569 9.766235 24.72879 
1 1 1    5    1   18 o  101.137   19.378   3.2062   1.1610   3.8813   1.4286   1.8927   1.9926  114.401   22.698   87.874   31.415 26.52769 38.75679 
1 1 1    5    1   20 o  272.069   13.241   20.935   2.0433   18.619   2.7326   23.873   3.0773  255.182   18.777  288.957   18.674 -33.77521 26.48261 
1 1 1    5    1   22 o  551.656   11.516   86.510   3.6128   92.443   5.3604   81.572   4.8904  568.889   16.523  534.422   16.046 34.46674 23.03185 
1 1 1    5    1   24 o  618.960   12.506  109.412   4.4123  104.717   6.1629  114.349   6.3198  605.334   17.852  632.587   17.518 -27.25275 25.01198 
1 1 1    5    1   26 o  289.277   22.356   24.163   3.6776   25.820   5.1472   22.436   5.2563  299.564   30.129  278.990   33.037 20.57352 44.71240 
1 1 1    5    1   28 o  394.542   16.577   44.860   3.7205   47.533   5.1968   42.048   5.3288  406.772   22.402  382.313   24.441 24.45914 33.15450 
1 1 1    5    1   30 o  161.048   31.581   8.1512   3.1540   10.801   4.1838   4.6633   4.8003  187.840   40.266  134.256   48.662 53.58461 63.16153 
1 1 1    5    1   32 o  109.967   32.051   0.9297   3.3352  -1.4884   4.4223   4.1191   5.0789   90.944   40.865  128.991   49.388 -38.04685 64.10262 
1 1 1    5    1   34 o  174.960   31.326   8.9552   3.0850   5.7253   3.7466   15.756   5.4367  132.956   43.179  216.964   45.397 -84.00818 62.65226 
1 1 1    5    1   36 o  128.772   39.521   1.5002   6.0134  -8.1646   8.5120   11.130   8.4966   97.764   47.596  159.780   63.106 -62.01687 79.04222 
1 1 1    5    1   38 o   83.157   26.458  -0.6929   2.8544  -4.8636   4.1768   2.9621   3.9100   67.763   33.067   98.551   41.313 -30.78845 52.91701 
1 1 1    5    1   40 o   75.879   25.765  -0.8832   3.2081  -1.7021   4.3153   0.1286   4.7966   71.928   34.749   79.830   38.051 -7.901192 51.53045 
1 1 1    5    2    1 f  408.203   14.707   47.571   3.4227   48.919   4.8406   46.223   4.8402  413.994   20.503  402.412   21.091 11.58234 29.41423 
1 1 1    5    2    3 o  1934.04   16.913  1067.93   18.653  1076.77   26.348  1059.05   26.410  1942.07   23.790  1926.00   24.045 16.07275 33.82502 
1 1 1    5    2    5 o  538.850   12.060   82.704   3.1174   83.096   6.5126   82.587   3.5505  539.594   21.164  538.105   11.570 1.489807 24.11993 
1 1 1    5    2    7 o  465.404   8.2176   61.880   2.1774   65.149   3.0534   58.498   3.1058  477.934   11.203  452.875   12.025 25.05945 16.43511 
1 1 1    5    2    9 o  1445.32   15.705  596.352   12.944  589.386   18.306  603.317   18.306  1436.86   22.340  1453.77   22.080 -16.90112 31.41019 
1 1 1    5    2   11 o  1445.90   12.022  597.074   9.8140  599.408   13.007  593.990   14.953  1449.28   15.738  1442.52   18.177 6.761719 24.04346 
1 1 1    5    2   13 o  1088.78   12.441  338.611   7.7245  334.090   10.928  343.126   10.921  1081.50   17.718  1096.05   17.471 -14.55371 24.88284 
1 1 1    5    2   15 o  478.746   9.7478   65.155   2.6115   67.011   4.1374   63.926   3.3669  484.316   14.980  473.175   12.477 11.14093 19.49552 
1 1 1    5    2   17 o  401.384   11.043   45.700   2.3379   46.974   4.2269   45.138   2.8062  405.202   18.292  397.566   12.377 7.636230 22.08585 
1 1 1    5    2   19 o  555.662   9.9678   88.166   3.1574   87.209   4.3948   89.186   4.5392  552.558   13.947  558.766   14.245 -6.208374 19.93551 
1 1 1    5    2   21 o  611.827   10.830  106.361   3.7234  110.066   5.8276  103.805   4.8402  620.706   16.463  602.947   14.076 17.75964 21.66043 
1 1 1    5    2   23 o  774.177   10.828  171.154   4.7805  171.455   6.7970  170.859   6.7248  774.846   15.382  773.508   15.245 1.337463 21.65653 
1 1 1    5    2   25 o  469.997   18.101   63.256   4.8480   61.589   6.6968   65.092   7.0273  463.524   25.334  476.471   25.862 -12.94705 36.20271 
1 1 1    5    2   27 o  100.682   24.249   0.1765   2.4165  -8.5148   3.8333   5.9079   3.1129   61.057   30.164  140.307   37.976 -79.25014 48.49814 
1 1 1    5    2   29 o  131.072   31.089   4.2637   3.0206   7.7316   4.2075   0.5756   4.3390  159.225   44.573  102.919   43.352 56.30608 62.17814 
1 1 1    5    2   31 o  199.360   29.813   12.367   3.2833   12.194   4.6000   12.547   4.6877  197.948   42.047  200.773   42.277 -2.824707 59.62650 
1 1 1    5    2   33 o  113.242   30.519   2.8031   3.0268   5.4382   3.7671  -1.9969   5.0842  131.980   43.318   94.504   43.002 37.47605 61.03791 
1 1 1    5    2   35 o  115.742   32.170   1.9942   3.3154   7.5881   5.2727  -1.6638   4.2637  146.502   51.220   84.981   38.939 61.52126 64.34090 
1 1 1    5    2   37 o   98.063   30.317   1.5196   3.2086   2.7689   4.7955   0.5071   4.3173  105.236   44.998   90.889   40.641 14.34745 60.63421 
1 1 1    5    2   39 o   68.004   23.428  -3.7155   2.9199  -3.4040   3.9203  -4.1035   4.3757   67.103   32.584   68.905   33.672 -1.802635 46.85627 
1 1 1    5    3    0 o  290.766   15.022   24.503   3.4796   24.503   3.4796   24.503   3.4796  290.766   21.245  290.766   21.245 0.000000 0.000000 
1 1 1    5    3    2 f  900.321   18.285  230.660   8.8751  233.915   15.340  229.023   10.881  904.871   29.727  895.771   21.300 9.099426 36.57043 
1 1 1    5    3    4 o  1491.64   22.541  635.747   19.174  635.615   26.986  635.881   27.249  1491.50   31.726  1491.78   32.029 -0.2834473 45.08246 
1 1 1    5    3    6 o  1295.46   15.706  479.070   11.600  493.226   16.422  464.974   16.388  1314.58   21.906  1276.34   22.514 38.23950 31.41280 
1 1 1    5    3    8 o  1178.07   18.632  404.460   11.732  372.341   20.104  421.047   14.447  1141.55   30.881  1214.59   20.857 -73.04309 37.26418 
1 1 1    5    3   10 o  284.447   14.546   23.118   2.3560   24.663   3.3382   21.585   3.3256  293.934   19.914  274.959   21.209 18.97467 29.09258 
1 1 1    5    3   12 o  189.629   7.8429   9.8658   0.8315   12.921   1.3297   7.9039   1.0655  212.816   10.956  166.443   11.225 46.37338 15.68587 
1 1 1    5    3   14 o  308.710   9.4483   27.145   1.5072   27.362   2.8112   27.058   1.7856  309.488   15.928  307.931   10.168 1.556915 18.89661 
1 1 1    5    3   16 o  365.890   11.153   40.105   2.0555   34.261   3.8196   42.487   2.4388  346.000   19.358  385.780   11.085 -39.77899 22.30680 
1 1 1    5    3   18 o  348.783   7.9785   35.166   1.5145   33.227   2.5192   36.264   1.8952  341.094   12.951  356.472   9.3226 -15.37833 15.95705 
1 1 1    5    3   20 o  386.249   9.2988   42.698   2.0286   41.837   3.0734   43.362   2.7005  382.754   14.080  389.743   12.150 -6.989594 18.59756 
1 1 1    5    3   22 o  416.958   11.000   49.004   2.5978   55.653   3.9618   43.988   3.4407  441.441   15.737  392.476   15.373 48.96509 21.99930 
1 1 1    5    3   24 o  326.852   17.335   30.597   3.2302   31.585   4.5772   29.617   4.5593  332.128   24.166  321.577   24.861 10.55103 34.67048 
1 1 1    5    3   26 o  250.367   20.514   17.533   2.8524   12.686   3.7369   24.300   4.4153  209.870   31.223  290.864   26.618 -80.99487 41.02891 
1 1 1    5    3   28 o  294.970   17.107   24.246   2.7799   22.209   3.4485   28.027   4.6979  278.080   21.745  311.859   26.415 -33.77960 34.21433 
1 1 1    5    3   30 o  138.679   30.624   5.3688   2.8188   2.8327   3.8471   8.3087   4.1421  113.264   43.075  164.094   43.542 -50.82999 61.24804 
1 1 1    5    3   32 o  110.585   30.003   2.7941   2.6585   3.4240   3.8628   2.2273   3.6643  116.053   43.374  105.116   41.466 10.93736 60.00619 
1 1 1    5    3   34 o  217.666   32.394   17.161   3.9219   21.819   5.0729   10.240   6.1834  266.050   33.435  169.281   55.495 96.76843 64.78872 
1 1 1    5    3   36 o   93.116   28.163   1.1843   2.6228   1.8911   4.0722   0.6833   3.4287   99.387   41.938   86.845   37.599 12.54197 56.32505 
1 1 1    5    3   38 o   83.022   27.625  -1.6818   3.4633   0.7070   4.4830  -5.2180   5.4544   89.060   40.469   76.983   37.614 12.07697 55.25018 
1 1 1    5    3   40 o   93.034   29.609   3.5259   3.2715   1.4959   4.3038   6.3043   5.0349   82.269   38.202  103.799   45.248 -21.52982 59.21768 
1 1 1    5    4    1 o  1984.72   17.021  1124.58   19.265  1120.21   27.243  1128.94   27.246  1980.86   24.116  1988.57   24.025 -7.713745 34.04119 
1 1 1    5    4    3 o  2167.19   21.292  1338.56   24.861  1351.25   42.975  1332.18   30.479  2174.25   34.659  2160.14   24.742 14.10938 42.58377 
1 1 1    5    4    5 o  1061.23   18.723  323.080   10.628  317.206   18.509  325.970   12.982  1053.75   30.799  1068.72   21.299 -14.97449 37.44698 
1 1 1    5    4    7 o  1092.52   18.859  340.384   11.120  339.425   13.664  342.267   19.137  1090.50   21.971  1094.54   30.658 -4.041504 37.71778 
1 1 1    5    4    9 o  564.093   20.826   90.933   6.6996   91.431   9.4839   90.438   9.4655  565.636   29.401  562.551   29.505 3.084839 41.65242 
1 1 1    5    4   11 o  1931.02   15.260  1066.52   16.472  1072.28   21.314  1057.97   25.956  1937.84   19.286  1924.19   23.654 13.64905 30.51986 
1 1 1    5    4   13 o  928.339   13.181  247.095   6.5738  248.765   8.0592  243.775   11.363  933.378   15.141  923.300   21.581 10.07831 26.36246 
1 1 1    5    4   15 o  439.309   10.777   54.787   2.5330   54.124   3.0786   56.177   4.4565  435.373   12.400  443.244   17.630 -7.871338 21.55398 
1 1 1    5    4   17 o  269.821   11.873   18.963   1.5732   17.386   1.7809   24.564   3.3564  246.729   12.657  292.914   20.093 -46.18468 23.74681 
1 1 1    5    4   19 o  506.860   9.9464   74.251   2.7848   69.696   4.4649   77.151   3.5626  493.871   15.853  519.849   12.017 -25.97821 19.89287 
1 1 1    5    4   21 o  421.723   11.066   50.616   2.6358   52.064   4.0418   49.545   3.4769  426.910   16.601  416.537   14.637 10.37347 22.13214 
1 1 1    5    4   23 f  743.668   13.167  157.847   5.5528  159.951   8.3319  156.166   7.4479  748.036   19.531  739.299   17.665 8.736877 26.33497 
1 1 1    5    4   25 o  381.306   17.247   40.252   3.6828   32.134   4.7533   52.444   5.8251  334.804   24.895  427.808   23.876 -93.00415 34.49398 
1 1 1    5    4   27 o  174.657   30.172   9.0627   2.9562   7.8685   3.8698   10.736   4.5810  161.263   41.751  188.051   43.570 -26.78802 60.34460 
1 1 1    5    4   29 o  282.377   22.575   23.180   3.4808   23.119   4.3381   23.291   5.8320  282.678   26.910  282.075   36.255 0.6034241 45.15041 
1 1 1    5    4   31 o   82.968   26.103  -1.0075   2.4735  -1.6879   3.8042  -0.5092   3.2556   83.305   37.623   82.632   36.192 0.6726151 52.20517 
1 1 1    5    4   33 o   94.530   29.671  -0.9187   3.2272  -2.4555   4.4899   0.7239   4.6418   86.260   39.684  102.800   44.122 -16.53994 59.34284 
1 1 1    5    4   35 o  104.583   30.892   1.5770   3.1264  -0.3945   4.1833   4.0714   4.7055   89.713   40.068  119.453   47.031 -29.73957 61.78473 
1 1 1    5    4   37 o  132.198   35.282   7.2298   3.7115   8.4206   4.8778   5.5924   5.7200  142.172   49.289  122.224   50.496 19.94733 70.56419 
1 1 1    5    4   39 o   92.637   29.580   1.8056   3.7662   5.2364   4.4102  -7.4357   7.2382  106.540   44.204   78.733   39.318 27.80759 59.16005 
1 1 1    5    5    0 o  1606.93   16.146  737.133   20.915  737.133   20.915  737.133   20.915  1606.93   22.833  1606.93   22.833 -0.000000 0.000000 
1 1 1    5    5    2 o  1705.53   16.334  830.322   15.886  821.734   22.465  838.913   22.468  1696.69   23.217  1714.36   22.981 -17.66199 32.66771 
1 1 1    5    5    4 o  2339.30   17.817  1562.34   23.769  1560.21   33.613  1564.46   33.615  2337.71   25.213  2340.90   25.180 -3.191162 35.63341 
1 1 1    5    5    6 o  818.122   17.765  191.327   7.4003  191.609   8.6941  190.587   14.100  819.452   18.604  816.791   30.270 2.660767 35.52964 
1 1 1    5    5    8 o  644.260   29.577  118.605   10.867   0.0000   0.0000  118.605   10.867  ?   ?   644.260   29.577      ?      ? 
1 1 1    5    5   10 f  432.418   9.9721   52.516   2.2451   51.348   2.6616   55.396   4.1798  424.272   11.000  440.564   16.636 -16.29163 19.94429 
1 1 1    5    5   12 o  641.268   11.418  117.346   4.1340  117.942   6.3157  116.900   5.4683  642.630   17.233  639.906   14.984 2.723755 22.83676 
1 1 1    5    5   14 o  497.543   10.797   72.019   2.8805   66.798   4.9146   74.751   3.5552  483.385   17.828  511.701   12.183 -28.31653 21.59321 
1 1 1    5    5   16 f  137.311   15.221   5.6460   1.1270   6.5657   1.5142   4.5035   1.6875  151.512   17.524  123.110   24.892 28.40150 30.44162 
1 1 1    5    5   18 o  756.106   11.806  163.476   5.0408  163.087   7.6812  163.770   6.6806  755.181   17.836  757.030   15.474 -1.849365 23.61266 
1 1 1    5    5   20 o  878.606   10.368  219.852   5.1739  214.046   6.9694  226.980   7.7225  865.771   14.116  891.441   15.191 -25.66992 20.73652 
1 1 1    5    5   22 o  317.316   14.508   31.353   2.0585   24.688   4.4267   33.192   2.3252  293.605   26.438  341.027   11.956 -47.42227 29.01553 
1 1 1    5    5   24 o  630.695   15.754  113.816   5.4689  113.951   9.0017  113.738   6.8852  630.684   25.028  630.706   19.142 -0.2160645E-01 31.50897 
1 1 1    5    5   26 f  308.861   18.670   27.435   3.2740   27.664   4.4370   27.162   4.8508  310.394   25.066  307.327   27.677 3.067169 37.34083 
1 1 1    5    5   28 o  250.136   21.266   17.798   2.9752   16.623   3.7999   19.658   4.7829  239.927   27.772  260.346   32.215 -20.41936 42.53275 
1 1 1    5    5   30 o  195.305   27.578   11.688   2.9327   11.479   4.5099   11.841   3.8605  192.787   42.192  197.822   35.525 -5.034531 55.15585 
1 1 1    5    5   32 o  126.920   33.360   4.2862   3.2655   5.4221   4.4465   2.9563   4.8111  135.009   47.046  118.831   47.311 16.17854 66.72023 
1 1 1    5    5   34 o  109.221   31.444   2.2600   3.0996   3.9765   4.6345   0.8709   4.1692  120.741   46.923   97.702   41.871 23.03909 62.88879 
1 1 1    5    5   36 o  111.534   26.208   2.9493   2.6353  -4.2319   4.0844   8.0709   3.4493   71.692   34.424  151.375   39.528 -79.68272 52.41643 
1 1 1    5    5   38 o  108.144   33.588   4.2933   4.0270   5.3021   5.3842   3.0125   6.0669  112.677   47.917  103.612   47.080 9.065948 67.17585 
1 1 1    5    5   40 o   94.431   28.097   4.3258   2.6891   2.4191   4.6560   5.2802   3.2941   85.637   39.755  103.225   39.714 -17.58788 56.19349 
1 1 1    5    6    1 o  2955.97   19.782  2495.33   33.347  2495.05   47.159  2495.61   47.160  2955.81   27.977  2956.14   27.974 -0.3339844 39.56326 
1 1 1    5    6    3 f  2587.40   18.619  1911.52   27.473  1910.49   38.854  1912.56   38.853  2586.70   26.339  2588.10   26.324 -1.398926 37.23809 
1 1 1    5    6    5 o  465.112   11.998   62.036   2.7923   62.381   3.2510   61.064   5.4522  467.660   12.190  462.564   20.668 5.096527 23.99528 
1 1 1    5    6    7 o  656.218   30.010  123.048   11.231   0.0000   0.0000  123.048   11.231  ?   ?   656.218   30.010      ?      ? 
1 1 1    5    6    9 o  1155.71   22.035  382.242   14.513  368.648   20.625  395.574   20.426  1135.27   31.857  1176.15   30.452 -40.88696 44.07021 
1 1 1    5    6   11 o  1186.74   15.774  402.854   10.664  394.191   15.342  410.951   14.833  1174.31   22.910  1199.17   21.689 -24.85779 31.54775 
1 1 1    5    6   13 o  588.808   10.382   98.221   3.2139  101.053   5.8465   96.994   3.8473  594.669   17.240  582.947   11.573 11.72131 20.76373 
1 1 1    5    6   15 o  634.307   8.6244  114.372   3.0926  111.150   4.0859  118.694   4.7320  623.946   11.483  644.669   12.871 -20.72198 17.24879 
1 1 1    5    6   17 o  905.739   10.507  234.363   5.4196  233.405   7.4604  235.434   7.8864  903.829   14.474  907.650   15.236 -3.821655 21.01483 
1 1 1    5    6   19 o  603.153   12.979  103.948   4.4623  108.679   6.3883   99.440   6.2358  616.563   18.168  589.742   18.541 26.82062 25.95872 
1 1 1    5    6   21 o  545.861   10.595   85.113   3.2814   84.808   4.8887   85.364   4.4268  544.929   15.731  546.793   14.196 -1.864929 21.18972 
1 1 1    5    6   23 o  593.477   15.152   98.929   4.8708  106.481   8.4500   95.171   5.9608  609.871   24.295  577.084   18.112 32.78766 30.30376 
1 1 1    5    6   25 o  373.900   16.238   39.952   3.4321   39.267   4.5444   40.862   5.2362  370.292   21.520  377.508   24.322 -7.216461 32.47542 
1 1 1    5    6   27 o  525.345   14.140   79.531   4.1345   81.004   5.3254   77.295   6.5600  531.836   17.558  518.854   22.170 12.98273 28.28059 
1 1 1    5    6   29 o  354.947   18.084   36.490   3.6244   30.162   5.0396   43.269   5.2164  322.657   27.388  387.237   23.621 -64.58020 36.16739 
1 1 1    5    6   31 o  176.924   29.772   10.134   2.9736   7.8589   4.5650   11.811   3.9191  157.852   47.120  195.997   36.402 -38.14598 59.54355 
1 1 1    5    6   33 o  120.141   32.135   3.9214   3.0206   3.5243   4.4270   4.2673   4.1317  118.125   45.873  122.158   45.014 -4.033119 64.26970 
1 1 1    5    6   35 o   94.249   29.100   0.5431   2.9797   1.5546   3.9337  -0.8183   4.5639   97.759   41.233   90.740   41.074 7.019516 58.20005 
1 1 1    5    6   37 o   77.045   25.087  -1.0442   2.5724   0.0587   3.5289  -2.2947   3.7578   81.155   36.482   72.935   34.445 8.220261 50.17388 
1 1 1    5    6   39 o   90.812   30.820  -0.6005   3.8497  -3.8833   4.4979   8.3903   7.4437   69.141   33.861  112.483   51.507 -43.34231 61.64078 
1 1 1    5    7    0 o  2048.28   17.176  1197.50   28.365  1197.50   28.365  1197.50   28.365  2048.28   24.291  2048.28   24.291 0.000000 0.000000 
1 1 1    5    7    2 o  806.544   14.853  185.664   6.8310  189.053   9.6653  182.281   9.6557  813.905   20.823  799.183   21.186 14.72150 29.70605 
1 1 1    5    7    4 o  1223.05   15.378  426.967   10.726  421.366   15.168  432.568   15.168  1215.02   21.891  1231.08   21.605 -16.06079 30.75672 
1 1 1    5    7    6 o  1415.09   15.684  571.651   12.657  571.920   17.905  571.381   17.894  1415.42   22.182  1414.75   22.179 0.6669922 31.36797 
1 1 1    5    7    8 o  1469.18   31.944  617.332   26.764   0.0000   0.0000  617.332   26.764  ?   ?   1469.18   31.944      ?      ? 
1 1 1    5    7   10 o  505.659   18.697   72.424   5.1388   70.846   6.3355   75.457   8.7860  497.912   22.312  513.407   30.008 -15.49515 37.39372 
1 1 1    5    7   12 o  963.198   17.400  270.453   8.1737  275.159   9.4260  256.187   16.411  981.419   16.841  944.979   30.453 36.44019 34.79964 
1 1 1    5    7   14 o  587.081   9.8669   98.719   3.2509   96.934   5.0455   99.985   4.2509  582.434   15.190  591.727   12.597 -9.292603 19.73389 
1 1 1    5    7   16 o  354.174   9.3186   35.868   1.8798   37.726   2.6489   33.983   2.6682  363.440   12.780  344.908   13.565 18.53232 18.63715 
1 1 1    5    7   18 o  512.544   9.0403   75.053   2.6401   73.898   3.7978   76.133   3.6726  508.709   13.091  516.379   12.471 -7.669891 18.08052 
1 1 1    5    7   20 o  470.650   12.194   64.017   3.0230   61.374   5.3833   65.234   3.6534  463.286   20.375  478.015   13.402 -14.72910 24.38782 
1 1 1    5    7   22 o  297.444   14.999   26.354   2.3761   22.114   3.9835   28.696   2.9605  277.926   25.133  316.962   16.378 -39.03613 29.99818 
1 1 1    5    7   24 o  355.467   21.757   36.540   4.3201   37.536   5.6170   35.097   6.7596  361.733   27.229  349.201   33.943 12.53226 43.51484 
1 1 1    5    7   26 o  378.307   16.445   41.022   3.4929   40.734   4.5498   41.435   5.4509  376.912   21.167  379.703   25.173 -2.790497 32.88934 
1 1 1    5    7   28 o  186.712   26.838   10.964   2.7712   7.0950   4.1595   14.051   3.7160  153.243   44.782  220.182   29.593 -66.93947 53.67650 
1 1 1    5    7   30 o  137.004   35.009   4.8461   3.4320   6.2114   5.5703   4.0108   4.3573  148.430   52.582  125.577   46.233 22.85286 70.01707 
1 1 1    5    7   32 o  130.307   31.436   4.5142   2.8022   2.6386   3.5321   7.6996   4.6030  106.529   41.085  154.085   47.591 -47.55629 62.87197 
1 1 1    5    7   34 o   99.193   28.523  -0.4613   2.7839   5.5766   4.4799  -4.2597   3.5533  131.233   47.084   67.154   32.208 64.07862 57.04644 
1 1 1    5    7   36 o  127.657   33.411   5.8232   3.5153   1.9857   5.2958   8.8458   4.7000  105.338   46.148  149.976   48.328 -44.63884 66.82234 
1 1 1    5    7   38 o   96.745   30.053   2.5781   3.3333  -0.1836   5.0495   4.7110   4.4375   86.460   40.549  107.029   44.368 -20.56922 60.10623 
1 1 1    5    7   40 o   93.790   29.862   2.8890   3.2525  -1.1598   4.0044   10.739   5.5758   69.536   33.565  118.044   49.400 -48.50751 59.72381 
1 1 1    5    8    1 o  2448.96   18.249  1712.52   25.486  1696.23   36.039  1728.81   36.045  2437.30   25.928  2460.62   25.687 -23.32178 36.49780 
1 1 1    5    8    3 o  2699.05   19.014  2080.48   29.267  2070.75   41.389  2090.21   41.391  2692.73   26.952  2705.37   26.828 -12.63965 38.02857 
1 1 1    5    8    5 o  1528.49   15.953  667.008   13.906  673.100   19.672  660.924   19.659  1535.47   22.465  1521.51   22.657 13.96704 31.90655 
1 1 1    5    8    7 o  1130.53   30.392  365.436   19.594   0.0000   0.0000  365.436   19.594  ?   ?   1130.53   30.392      ?      ? 
1 1 1    5    8    9 o  670.409   13.929  128.378   5.3246  130.298   7.5116  126.439   7.5487  675.458   19.500  665.361   19.894 10.09705 27.85752 
1 1 1    5    8   11 o  573.981   13.643   93.137   4.3557   98.679   7.0686   89.745   5.5304  587.467   21.099  560.495   17.302 26.97217 27.28585 
1 1 1    5    8   13 o  279.582   12.803   22.043   2.0042   23.929   3.2031   20.830   2.5692  289.212   19.421  269.951   16.689 19.26056 25.60621 
1 1 1    5    8   15 f  422.233   11.374   50.970   2.7386   50.683   3.8885   51.252   3.8577  421.048   16.194  423.417   15.976 -2.368866 22.74811 
1 1 1    5    8   17 o  901.688   10.776  232.238   5.5404  227.549   7.7538  237.130   7.9196  892.392   15.236  910.983   15.244 -18.59143 21.55248 
1 1 1    5    8   19 o  347.563   12.789   34.528   2.5349   34.883   3.5929   34.176   3.5768  349.345   18.034  345.782   18.139 3.562439 25.57824 
1 1 1    5    8   21 o  835.568   13.336  199.595   6.3523  194.662   9.0193  204.450   8.9483  825.290   19.163  845.846   18.550 -20.55615 26.67127 
1 1 1    5    8   23 o  264.052   21.006   20.398   2.7844   19.181   5.3397   20.852   3.2632  258.125   36.274  269.979   21.195 -11.85425 42.01181 
1 1 1    5    8   25 f  335.471   23.208   32.428   4.2648   32.354   5.3350   32.558   7.0987  335.468   27.886  335.474   37.104 -0.6225586E-02 46.41513 
1 1 1    5    8   27 o  386.267   17.893   43.062   3.9299   39.513   5.5820   46.550   5.5337  370.278   26.434  402.256   24.122 -31.97845 35.78628 
1 1 1    5    8   29 o  236.419   28.502   17.453   3.5550   14.385   5.7298   19.374   4.5329  215.039   47.945  257.800   30.832 -42.76097 57.00314 
1 1 1    5    8   31 f  101.259   30.662   0.3700   3.1566   1.2229   4.6383  -0.3657   4.3081  107.284   44.987   95.234   41.675 12.05038 61.32357 
1 1 1    5    8   33 o  113.836   29.835   2.4329   2.8715  -1.2330   3.8920   6.8119   4.2538   84.293   38.063  143.380   45.953 -59.08670 59.66996 
1 1 1    5    8   35 o   89.877   28.137  -0.3476   2.8985  -2.3117   3.9166   2.0305   4.3096   77.377   36.101  102.377   43.169 -25.00006 56.27417 
1 1 1    5    8   37 o   85.121   28.196  -1.6884   3.5036  -4.5266   4.9635   1.1299   4.9461   75.753   36.757   94.488   42.766 -18.73537 56.39126 
1 1 1    5    8   39 o   86.075   27.700   1.3380   2.8116  -0.6937   3.4524   5.3388   4.8447   70.322   33.152  101.828   44.387 -31.50576 55.40037 
1 1 1    5    9    0 o  174.208   16.614   9.1193   2.2148   9.1193   2.2148   9.1193   2.2148  174.208   23.496  174.208   23.496 -0.000000 0.000000 
1 1 1    5    9    2 o  1114.44   15.280  354.534   9.7113  353.781   13.734  355.286   13.733  1113.26   21.633  1115.63   21.586 -2.366943 30.56027 
1 1 1    5    9    4 o  1166.78   15.343  388.659   10.209  386.935   14.440  390.382   14.436  1164.19   21.749  1169.37   21.647 -5.179565 30.68543 
1 1 1    5    9    6 o  621.216   20.663  110.338   7.3197  108.674   10.355  112.000   10.349  616.520   29.450  625.911   28.992 -9.390015 41.32631 
1 1 1    5    9    8 o  1323.68   19.191  499.926   13.624  504.647   23.763  497.615   16.628  1327.65   31.385  1319.71   22.094 7.936401 38.38206 
1 1 1    5    9   10 o  188.260   17.613   10.231   1.8724   8.7370   2.6811   11.654   2.6160  174.667   26.916  201.853   22.726 -27.18597 35.22645 
1 1 1    5    9   12 o  835.426   11.777  199.809   5.5899  203.714   7.6241  195.269   8.2201  844.361   15.833  826.491   17.440 17.86993 23.55497 
1 1 1    5    9   14 o  700.529   12.528  140.447   5.0017  137.626   7.1587  143.137   6.9912  693.605   18.098  707.452   17.328 -13.84717 25.05614 
1 1 1    5    9   16 o  374.304   13.127   40.401   2.7526   41.972   3.6123   38.227   4.2508  383.172   16.531  365.435   20.397 17.73691 26.25475 
1 1 1    5    9   18 o  990.711   12.225  279.670   6.8298  286.055   10.527  275.028   8.9754  1000.29   18.453  981.133   16.041 19.15753 24.45080 
1 1 1    5    9   20 o  972.195   12.328  270.405   6.7719  272.865   9.0098  267.210   10.267  977.417   16.164  966.972   18.617 10.44519 24.65514 
1 1 1    5    9   22 o  443.959   15.145   55.618   3.4840   58.192   6.5251   54.592   4.1205  450.768   25.383  437.151   16.528 13.61682 30.28981 
1 1 1    5    9   24 o  422.209   15.366   51.269   3.4812   51.702   4.2655   50.405   6.0245  425.206   17.590  419.211   25.200 5.995728 30.73196 
1 1 1    5    9   26 o  302.739   21.105   26.945   3.5727   30.203   4.8127   22.946   5.3323  323.940   26.051  281.537   33.211 42.40363 42.20964 
1 1 1    5    9   28 o  286.953   21.975   23.065   3.5195   31.011   5.5722   17.791   4.5397  326.766   29.902  247.140   32.210 79.62607 43.94997 
1 1 1    5    9   30 o  149.499   33.077   6.9132   3.1379   7.4122   4.2429   6.3108   4.6618  154.013   45.292  144.985   48.217 9.027740 66.15310 
1 1 1    5    9   32 o  184.109   29.090   10.975   2.9637   11.103   3.9759   10.815   4.4460  186.499   38.652  181.719   43.483 4.779922 58.17902 
1 1 1    5    9   34 o  113.704   30.243   3.8330   2.6649   3.2789   4.0946   4.2402   3.5100  111.119   43.833  116.288   41.681 -5.168716 60.48692 
1 1 1    5    9   36 o  128.258   34.359   6.4685   3.5347   4.7162   5.2194   7.9530   4.8041  117.122   48.297  139.393   48.882 -22.27082 68.71779 
1 1 1    5    9   38 o   73.963   25.084  -2.4258   3.0822  -4.6033   4.3982  -0.3247   4.3204   67.795   33.260   80.130   37.557 -12.33477 50.16751 
1 1 1    5   10    1 o  703.274   14.764  141.196   5.9212  140.659   8.3810  141.731   8.3668  701.937   20.937  704.610   20.822 -2.673157 29.52760 
1 1 1    5   10    3 o  803.827   14.932  184.480   6.8452  183.957   9.6886  185.000   9.6725  802.689   21.165  804.965   21.070 -2.276428 29.86491 
1 1 1    5   10    5 o  628.297   20.706  112.906   7.4176  110.062   10.486  115.755   10.494  620.353   29.640  636.241   28.923 -15.88837 41.41290 
1 1 1    5   10    7 f  834.315   21.244  199.289   10.105  198.797   14.448  199.760   14.138  833.266   30.405  835.364   29.677 -2.097290 42.48709 
1 1 1    5   10    9 o  343.786   15.439   30.257   1.8681   38.526   6.0542   29.386   1.9640  366.655   28.954  320.917   10.731 45.73859 30.87844 
1 1 1    5   10   11 o  682.396   11.250  132.916   4.3510  131.836   5.8254  134.278   6.5433  679.340   15.037  685.453   16.739 -6.112610 22.50085 
1 1 1    5   10   13 o  925.769   11.936  245.186   6.2959  241.983   9.0695  248.165   8.7468  919.867   17.289  931.671   16.462 -11.80347 23.87292 
1 1 1    5   10   15 o  600.198   11.280  102.082   3.7600   99.206   4.7694  106.805   6.1118  589.278   14.192  611.119   17.537 -21.84149 22.56017 
1 1 1    5   10   17 o  587.459   11.031   98.526   3.6940  100.913   5.3244   96.309   5.1293  594.309   15.710  580.610   15.491 13.69922 22.06287 
1 1 1    5   10   19 o  648.349   11.306  120.084   4.1796  118.637   5.9376  121.505   5.8844  644.465   16.155  652.234   15.820 -7.768433 22.61122 
1 1 1    5   10   21 o  516.628   15.917   76.855   4.5817   78.817   5.9235   73.934   7.2285  525.080   19.782  508.176   24.942 16.90396 31.83460 
1 1 1    5   10   23 f  574.044   12.082   95.171   3.8663   89.219   6.0441   99.293   5.0300  558.532   18.975  589.555   14.961 -31.02350 24.16360 
1 1 1    5   10   25 o  378.488   20.729   41.447   4.1773   40.830   7.3368   41.743   5.0813  375.661   34.247  381.315   23.367 -5.653809 41.45901 
1 1 1    5   10   27 f  139.499   31.882   4.1239   3.0549   9.9245   5.1168   0.9111   3.8081  179.628   48.718   99.370   41.140 80.25714 63.76473 
1 1 1    5   10   29 o   97.707   27.832   0.8134   2.5205   3.2663   3.6217  -1.4906   3.5100  114.608   42.157   80.807   36.350 33.80139 55.66425 
1 1 1    5   10   31 o  127.779   31.657   3.4127   3.1843  -0.6656   4.2383   8.6985   4.8250   92.359   40.841  163.199   48.381 -70.83997 63.31459 
1 1 1    5   10   33 o  107.461   29.790   2.2106   2.8777  -0.9305   4.1401   5.1467   4.0027   87.786   39.484  127.136   44.617 -39.35008 59.57949 
1 1 1    5   10   35 o  135.505   30.929   6.4735   3.1886   10.759   4.3016   1.2475   4.7503  171.468   43.824   99.541   43.655 71.92760 61.85753 
1 1 1    5   10   37 o   89.134   28.507   1.1088   3.0297   0.8322   5.0268   1.2666   3.7968   91.467   42.047   86.800   38.506 4.667046 57.01411 
1 1 1    5   10   39 o   83.121   27.480   1.7330   3.2369   1.6363   4.5620   1.8310   4.5935   82.725   38.716   83.517   39.009 -0.7925644 54.96027 
1 1 1    5   11    0 f  1781.34   16.572  906.084   23.800  906.084   23.800  906.084   23.800  1781.34   23.437  1781.34   23.437 0.000000 0.000000 
1 1 1    5   11    2 o  2014.75   17.150  1159.79   19.705  1163.10   27.874  1156.47   27.861  2017.63   24.225  2011.87   24.283 5.765137 34.30033 
1 1 1    5   11    4 o  1190.37   21.750  405.509   14.765  407.511   20.880  403.506   20.882  1193.32   30.682  1187.42   30.837 5.899414 43.50076 
1 1 1    5   11    6 o  661.229   18.498  125.736   6.5273  123.215   11.410  126.963   7.9583  655.885   30.504  666.573   20.935 -10.68774 36.99679 
1 1 1    5   11    8 o  587.060   10.922   99.329   3.3482   96.136   6.0704  100.726   4.0140  580.036   18.352  594.084   11.848 -14.04834 21.84367 
1 1 1    5   11   10 o  475.071   11.870   62.016   2.6305   60.279   2.9449   68.874   5.8510  459.543   11.237  490.598   20.913 -31.05447 23.74045 
1 1 1    5   11   12 o  121.802   20.619   4.8845   1.4744   2.0040   2.5525   6.3268   1.8063   94.977   35.306  148.628   21.310 -53.65104 41.23858 
1 1 1    5   11   14 o  640.036   11.746  116.439   4.1718  120.055   6.7747  114.230   5.2948  647.804   18.338  632.268   14.684 15.53601 23.49289 
1 1 1    5   11   16 o  242.385   20.008   16.522   2.7341   14.652   3.5543   19.234   4.2792  225.960   27.582  258.811   28.992 -32.85110 40.01664 
1 1 1    5   11   18 o  635.187   12.151  114.423   4.3554  109.715   5.7086  120.980   6.7375  619.744   16.152  650.630   18.158 -30.88525 24.30242 
1 1 1    5   11   20 o  411.490   10.931   48.371   2.5619   48.009   3.7107   48.702   3.5413  409.998   15.870  412.982   15.036 -2.983887 21.86195 
1 1 1    5   11   22 o  558.801   12.449   89.531   3.9451   92.272   5.3543   86.275   5.8351  568.268   16.522  549.335   18.626 18.93317 24.89759 
1 1 1    5   11   24 o  758.793   17.773  165.960   7.6575  156.098   11.140  174.794   10.543  737.047   26.504  780.539   23.686 -43.49225 35.54502 
1 1 1    5   11   26 o  102.580   31.802  -1.1602   3.5353  -2.1776   4.6649   0.2125   5.4185   92.783   41.805  112.376   47.936 -19.59299 63.60427 
1 1 1    5   11   28 o  315.123   19.737   29.064   3.4939   30.358   4.6261   27.346   5.3307  323.905   25.044  306.340   30.513 17.56519 39.47494 
1 1 1    5   11   30 o  211.812   28.022   13.847   3.3011   16.035   4.7368   11.781   4.6029  230.970   35.962  192.655   42.986 38.31505 56.04478 
1 1 1    5   11   32 o  130.678   33.085   5.0506   3.3232   1.9573   4.9779   7.5376   4.4635  111.278   46.630  150.078   46.948 -38.79969 66.17030 
1 1 1    5   11   34 o   95.741   29.693  -0.3608   3.2645   3.2388   4.7162  -3.6717   4.5231  112.519   46.097   78.962   37.440 33.55710 59.38595 
1 1 1    5   11   36 o   78.855   26.606  -3.2610   3.3835  -5.6715   4.9176  -1.0940   4.6626   73.028   35.689   84.681   39.469 -11.65314 53.21138 
1 1 1    5   11   38 o   63.800   22.237  -4.0931   2.6263  -4.8772   3.2396  -2.5898   4.4857   55.567   27.503   72.033   34.949 -16.46627 44.47331 
1 1 1    5   12    1 o  1163.29   15.395  386.647   10.212  391.402   14.448  381.899   14.437  1170.45   21.644  1156.13   21.897 14.32385 30.78912 
1 1 1    5   12    3 f  894.381   21.201  229.035   10.813  229.047   15.295  229.023   15.290  894.405   29.987  894.358   29.977 0.4699707E-01 42.40133 
1 1 1    5   12    5 o  1748.82   16.554  874.709   16.508  862.050   23.353  887.355   23.340  1736.13   23.586  1761.50   23.234 -25.37610 33.10799 
1 1 1    5   12    7 o  633.472   17.543  117.093   5.2562  110.946   11.026  118.901   5.9793  621.766   31.097  645.177   16.251 -23.41052 35.08685 
1 1 1    5   12    9 o  140.539   23.679   5.0607   1.7938   8.8280   3.2910   3.4684   2.1395  172.072   34.734  109.006   32.192 63.06617 47.35822 
1 1 1    5   12   11 o  409.472   13.351   51.545   2.5462   41.779   5.2258   54.585   2.9158  381.707   24.006  437.237   11.694 -55.53009 26.70296 
1 1 1    5   12   13 o  1174.26   15.947  395.151   10.679  397.665   15.134  392.658   15.070  1177.98   22.529  1170.53   22.576 7.452515 31.89381 
1 1 1    5   12   15 o  485.293   11.673   67.600   3.0839   68.299   3.8387   66.327   5.1789  489.020   13.765  481.566   18.858 7.453644 23.34693 
1 1 1    5   12   17 o  438.524   12.450   54.642   2.9208   55.859   5.1358   54.060   3.5510  441.947   20.377  435.102   14.311 6.845215 24.90052 
1 1 1    5   12   19 o  279.366   14.319   21.621   2.0318   20.840   2.3630   23.835   3.9801  270.147   15.338  288.585   24.184 -18.43756 28.63751 
1 1 1    5   12   21 o  504.072   16.082   70.475   4.4974   82.281   7.4668   63.754   5.6339  536.036   24.426  472.108   20.926 63.92758 32.16367 
1 1 1    5   12   23 o  600.734   17.479  103.363   5.9821  107.076   8.7006  100.033   8.2383  610.915   24.973  590.554   24.462 20.36108 34.95762 
1 1 1    5   12   25 o  731.253   28.430  156.567   11.790  149.643   17.372  162.481   16.054  715.198   42.591  747.309   37.669 -32.11029 56.85961 
1 1 1    5   12   27 o  368.556   14.150   39.028   2.9702   38.431   4.0841   39.697   4.3274  365.635   19.587  371.477   20.427 -5.842010 28.29993 
1 1 1    5   12   29 o   74.118   23.900  -2.5450   2.3692  -0.0824   3.1218  -5.8900   3.6384   83.470   36.008   64.766   31.436 18.70421 47.79933 
1 1 1    5   12   31 o  128.900   31.333   5.0727   3.0625   0.3976   5.2973   7.4197   3.7533  106.760   46.478  151.041   42.034 -44.28065 62.66602 
1 1 1    5   12   33 f  122.830   28.851   4.3125   3.0308  -3.4400   5.0279   8.7373   3.7985   85.646   40.261  160.014   41.334 -74.36786 57.70173 
1 1 1    5   12   35 o   78.441   26.434  -3.3679   3.2735  -5.7678   5.2641  -1.8546   4.1800   77.229   37.560   79.653   37.207 -2.424362 52.86884 
1 1 1    5   12   37 o   78.637   25.788  -2.0277   3.1321  -9.7129   4.9920   2.9620   4.0223   62.726   31.513   94.548   40.829 -31.82154 51.57629 
1 1 1    5   13    0 o  1563.56   16.139  698.524   20.342  698.524   20.342  698.524   20.342  1563.56   22.824  1563.56   22.824 0.000000 0.000000 
1 1 1    5   13    2 o  644.438   20.930  119.004   7.6920  119.903   10.880  118.106   10.876  646.882   29.493  641.994   29.706 4.888550 41.86026 
1 1 1    5   13    4 o  459.541   12.180   60.853   2.7971   61.428   3.2577   59.238   5.4561  463.922   12.313  455.160   21.020 8.762146 24.36070 
1 1 1    5   13    6 o  688.205   21.340  135.964   8.3750  137.781   11.869  134.162   11.819  692.806   30.041  683.604   30.318 9.202087 42.68016 
1 1 1    5   13    8 o  514.024   16.058   75.899   3.3050   75.371   8.6837   75.988   3.5739  512.154   29.731  515.895   12.148 -3.741394 32.11691 
1 1 1    5   13   10 o  591.260   17.544   96.791   4.6875  106.105   10.839   94.649   5.1988  607.093   31.308  575.428   15.842 31.66553 35.08773 
1 1 1    5   13   12 o  831.964   14.893  197.772   7.0177  194.430   9.3551  202.074   10.612  824.138   19.905  839.790   22.159 -15.65173 29.78607 
1 1 1    5   13   14 o  482.618   17.185   66.791   4.7261   69.820   6.6828   63.761   6.6846  493.625   23.739  471.611   24.854 22.01410 34.36996 
1 1 1    5   13   16 o  197.222   17.735   10.995   1.9781   9.2512   2.6449   13.208   2.9799  179.686   25.811  214.758   24.331 -35.07245 35.47095 
1 1 1    5   13   18 o  583.949   13.687   97.686   4.5429   94.289   6.6322  100.688   6.2355  574.298   20.250  593.599   18.420 -19.30127 27.37428 
1 1 1    5   13   20 o  460.579   18.245   60.823   4.7702   60.141   7.0726   61.391   6.4609  458.104   27.072  463.053   24.466 -4.949432 36.48990 
1 1 1    5   13   22 o  852.089   15.879  209.165   7.4563  203.303   12.140  212.715   9.4482  841.924   25.285  862.253   19.214 -20.32898 31.75730 
1 1 1    5   13   24 o  381.236   37.398   49.942   5.5694   34.420   12.897   53.500   6.1748  331.133   70.458  431.338   25.102 -100.2050 74.79636 
1 1 1    5   13   26 o  169.796   29.413   9.4450   2.9868   4.4729   4.9755   12.246   3.7346  134.401   49.416  205.192   31.915 -70.79089 58.82598 
1 1 1    5   13   28 o  231.327   23.920   15.763   3.1502   17.100   4.5509   14.534   4.3650  240.883   33.128  221.771   34.513 19.11137 47.83969 
1 1 1    5   13   30 o  167.146   29.629   9.5528   2.9202   11.552   3.5886   5.6335   5.0242  196.178   32.076  138.115   49.827 58.06358 59.25862 
1 1 1    5   13   32 o  123.243   31.232   4.7243   2.8066   3.9333   4.1216   5.4083   3.8325  117.510   44.610  128.975   43.722 -11.46513 62.46348 
1 1 1    5   13   34 o  153.322   35.354   8.9557   3.4487   10.635   5.7384   8.0063   4.3149  160.936   53.494  145.708   46.238 15.22826 70.70783 
1 1 1    5   13   36 o  110.829   32.197   4.8936   3.2346   5.7213   4.9596   4.2810   4.2670  115.327   47.262  106.332   43.737 8.995285 64.39488 
1 1 1    5   13   38 o   80.752   26.152   1.4027   2.8168   3.0373   3.6394  -1.0396   4.4486   87.592   38.318   73.913   35.601 13.67988 52.30386 
1 1 1    5   14    1 o  1066.76   21.649  326.627   13.169  332.091   18.627  321.166   18.621  1075.74   30.363  1057.78   30.869 17.95703 43.29887 
1 1 1    5   14    3 o  553.358   14.848   87.599   4.6855   88.300   6.6367   86.902   6.6161  555.569   20.947  551.147   21.049 4.422180 29.69597 
1 1 1    5   14    5 o  902.094   21.606  233.990   11.103  221.799   15.713  246.147   15.692  878.424   31.367  925.763   29.722 -47.33838 43.21225 
1 1 1    5   14    7 o  600.009   17.884  106.843   5.2054   96.390   10.391  110.345   6.0145  578.767   31.482  621.251   16.976 -42.48376 35.76768 
1 1 1    5   14    9 o  518.879   19.788   75.956   5.5332   81.663   9.6952   73.200   6.7384  532.463   31.928  505.295   23.384 27.16754 39.57559 
1 1 1    5   14   11 o  810.990   14.830  187.756   6.7975  184.088   8.9903  192.651   10.386  801.983   19.657  819.997   22.210 -18.01343 29.65980 
1 1 1    5   14   13 o  731.861   14.364  151.801   5.8456  159.789   9.4801  146.900   7.4253  746.986   22.254  716.736   18.166 30.24976 28.72702 
1 1 1    5   14   15 o  238.261   25.459   16.873   3.2837   12.618   4.6567   21.081   4.6312  205.521   41.166  271.001   29.966 -65.47942 50.91733 
1 1 1    5   14   17 f  582.068   13.904   96.867   4.6118   96.211   6.6418   97.478   6.4087  580.134   20.075  584.001   19.243 -3.867126 27.80828 
1 1 1    5   14   19 o  880.794   14.095  221.861   7.0726  208.821   9.9510  235.172   10.054  854.576   20.419  907.013   19.437 -52.43652 28.19081 
1 1 1    5   14   21 o  204.903   28.311   12.533   3.2129   10.968   4.7794   13.824   4.3397  190.757   44.712  219.049   34.740 -28.29120 56.62204 
1 1 1    5   14   23 o  373.310   29.966   38.946   6.1840   34.225   7.6840   47.625   10.418  343.125   39.268  403.496   45.276 -60.37155 59.93275 
1 1 1    5   14   25 o  786.453   22.073  167.171   8.1686  201.827   18.240  158.477   9.1360  830.460   38.514  742.447   21.577 88.01294 44.14612 
1 1 1    5   14   27 o   97.544   28.010   0.9254   2.4363   2.7191   3.8346  -0.2887   3.1549  112.006   42.907   83.081   36.018 28.92465 56.02052 
1 1 1    5   14   29 o  103.407   30.416   0.8182   2.7121  -0.1522   3.2002   3.2916   5.1090   83.490   36.236  123.324   48.862 -39.83346 60.83209 
1 1 1    5   14   31 o   82.092   26.349  -1.3597   2.6545  -0.4518   3.3635  -2.8589   4.3224   82.212   36.367   81.972   38.137 0.2396164 52.69753 
1 1 1    5   14   33 o  128.597   37.797   5.0660   4.4524   2.7392   8.4444   5.9618   5.2399  125.894   56.527  131.301   50.190 -5.406982 75.59334 
1 1 1    5   14   35 o  116.099   29.579   4.2161   2.6181   1.4449   3.3177   8.7901   4.2623   86.795   37.278  145.402   45.936 -58.60708 59.15884 
1 1 1    5   14   37 o  103.576   31.313   5.0972   3.2456   6.7998   5.0110   3.8667   4.2599  111.040   46.671   96.112   41.760 14.92873 62.62635 
1 1 1    5   15    2 o  196.994   16.011   11.143   1.7897   12.497   2.5423   9.8117   2.5198  208.944   21.336  185.044   23.878 23.89970 32.02187 
1 1 1    5   15    4 o  412.387   15.506   46.149   2.3860   45.365   2.5365   52.173   7.0321  398.642   11.157  426.133   28.936 -27.49124 31.01286 
1 1 1    5   15    6 o  562.573   18.460   90.420   5.5626   92.075   9.7441   89.619   6.7751  565.750   30.201  559.396   21.238 6.354492 36.92068 
1 1 1    5   15    8 o  558.813   17.344   87.117   4.7446   94.418   9.7929   84.877   5.4236  572.868   29.975  544.757   17.458 28.11121 34.68868 
1 1 1    5   15   10 o  298.692   24.645   26.147   3.8850   24.613   6.8502   26.874   4.7169  291.449   41.214  305.934   27.036 -14.48447 49.29048 
1 1 1    5   15   12 o  363.941   18.698   38.038   3.8760   36.270   5.5231   39.755   5.4407  355.530   27.240  372.353   25.622 -16.82230 37.39671 
1 1 1    5   15   14 o  1008.46   16.036  291.097   9.2224  290.310   13.062  291.879   13.023  1007.09   22.743  1009.83   22.614 -2.739502 32.07212 
1 1 1    5   15   16 o  1248.62   17.648  446.174   12.547  443.755   17.247  448.893   18.287  1245.16   24.289  1252.09   25.611 -6.926514 35.29636 
1 1 1    5   15   18 o  899.541   16.443  232.143   8.4137  218.173   12.075  245.325   11.730  873.031   24.253  926.052   22.211 -53.02057 32.88692 
1 1 1    5   15   20 o  689.651   14.599  133.920   5.4874  128.997   6.7652  143.389   9.3822  671.741   17.660  707.562   23.251 -35.82129 29.19746 
1 1 1    5   15   22 o  240.071   42.728   16.222   5.2871   21.520   10.476   14.412   6.1242  262.700   69.029  217.442   50.375 45.25771 85.45564 
1 1 1    5   15   24 o  426.792   22.041   55.638   4.9623   44.147   8.2932   62.047   6.1934  389.142   37.370  464.441   23.383 -75.29938 44.08260 
1 1 1    5   15   26 o  126.175   36.904   2.6796   3.6755  -4.9847   9.7558   3.9474   3.9678  128.995   59.031  123.355   44.306 5.639099 73.80813 
1 1 1    5   15   28 o  253.124   23.239   18.435   3.0134   20.518   5.8051   17.666   3.5256  260.423   39.087  245.825   25.149 14.59845 46.47863 
1 1 1    5   15   30 o  150.195   30.596   7.2558   2.6945   8.1788   4.4302   6.7139   3.3946  156.565   46.347  143.825   39.956 12.73984 61.19255 
1 1 1    5   15   32 o  125.461   29.536   5.3972   2.5702   3.1243   4.3345   6.6297   3.1918  110.874   44.642  140.048   38.684 -29.17326 59.07145 
1 1 1    5   15   34 o  165.058   35.181   11.176   3.7230   7.7548   5.0532   15.238   5.5063  136.565   49.862  193.552   49.645 -56.98680 70.36224 
1 1 1    5   15   36 o   91.313   29.018   2.1621   3.1691   1.4232   4.6372   2.8097   4.3411   88.663   40.620   93.962   41.452 -5.299194 58.03671 
1 1 1    5   16    1 o  110.243   17.933   3.8071   0.8766   3.9702   0.9572   2.9594   2.1825  117.883   14.239  102.603   32.919 15.27976 35.86681 
1 1 1    5   16    3 o  264.622   22.992   20.426   3.4059   16.028   4.8274   24.785   4.8059  235.603   35.929  293.642   28.699 -58.03876 45.98353 
1 1 1    5   16    5 o  695.589   18.054  138.942   6.6286  139.071   7.9888  138.658   11.876  696.963   20.099  694.214   29.997 2.748230 36.10808 
1 1 1    5   16    7 o  325.524   18.998   31.666   1.7438   29.026   6.6499   31.861   1.8070  316.929   36.793  334.120   9.4835 -17.19171 37.99536 
1 1 1    5   16    9 o  226.856   28.362   15.181   3.3272   15.094   5.8968   15.223   4.0300  223.660   47.687  230.053   30.717 -6.393021 56.72410 
1 1 1    5   16   11 o  293.007   25.152   24.585   3.9336   25.177   6.9436   24.305   4.7734  295.058   41.265  290.956   28.768 4.101807 50.30324 
1 1 1    5   16   13 o  369.104   11.563   38.863   2.4309   36.199   3.3719   41.746   3.5076  355.943   16.611  382.266   16.090 -26.32242 23.12613 
1 1 1    5   16   15 o  431.893   15.195   53.127   3.1915   52.928   3.6555   53.763   6.5459  430.532   14.888  433.255   26.493 -2.722412 30.38984 
1 1 1    5   16   17 f  770.887   23.573  170.731   10.359  176.713   14.654  164.757   14.644  784.483   32.756  757.292   33.909 27.19080 47.14621 
1 1 1    5   16   19 o  789.561   15.445  176.220   6.8900  163.169   9.0311  194.395   10.658  755.137   20.971  823.986   22.680 -68.84869 30.88984 
1 1 1    5   16   21 o  573.698   25.965  100.878   7.3668   83.521   13.911  107.643   8.6845  535.079   45.588  612.317   24.870 -77.23816 51.93086 
1 1 1    5   16   23 o  173.050   37.023   8.8060   3.9114   7.8642   5.0594   10.205   6.1665  162.558   49.843  183.542   54.759 -20.98361 74.04659 
1 1 1    5   16   25 o  467.440   26.955   64.296   6.9708   64.200   11.297   64.356   8.8584  465.384   42.565  469.497   33.085 -4.113525 53.91078 
1 1 1    5   16   27 o  168.676   31.663   7.5474   3.1235   14.591   5.4717   4.1426   3.8042  214.715   46.066  122.637   43.453 92.07767 63.32611 
1 1 1    5   16   29 o  112.723   31.517   2.3597   3.1234  -0.0115   4.3585   4.8633   4.4784   96.298   42.035  129.147   46.973 -32.84901 63.03500 
1 1 1    5   16   31 o  101.983   30.354   1.6085   3.0350   2.7294   3.9078  -0.0952   4.8178  106.597   42.575   97.368   43.276 9.228836 60.70789 
1 1 1    5   16   33 o  102.537   31.740   1.7618   3.5408   2.2772   4.8230   1.1593   5.2149  104.139   44.841  100.936   44.933 3.203384 63.47985 
1 1 1    5   16   35 o  100.776   27.837   3.7437   2.3314   2.9497   3.2470   4.5887   3.3497   94.102   38.365  107.451   40.346 -13.34861 55.67466 
1 1 1    5   16   37 o   61.683   21.413  -3.3756   2.5801  -3.0632   3.7871  -3.6463   3.5246   63.496   31.091   59.870   29.452 3.626247 42.82659 
1 1 1    5   17    0 o  768.269   15.083  169.072   9.3296  169.072   9.3296  169.072   9.3296  768.269   21.331  768.269   21.331 0.000000 0.000000 
1 1 1    5   17    2 o  1230.37   22.198  436.071   15.565  417.478   21.998  454.713   22.027  1203.85   32.043  1256.90   30.730 -53.05176 44.39657 
1 1 1    5   17    4 o  878.374   30.514  222.033   15.285   0.0000   0.0000  222.033   15.285  ?   ?   878.374   30.514      ?      ? 
1 1 1    5   17    6 o  587.870   13.842   99.262   4.5521  100.822   5.9163   97.000   7.1267  593.766   17.472  581.974   21.473 11.79211 27.68311 
1 1 1    5   17    8 o  968.189   18.180  268.889   8.6384  268.824   17.419  268.910   9.9478  966.660   31.598  969.718   17.988 -3.057373 36.35971 
1 1 1    5   17   10 o  297.324   25.529   25.892   4.0202   24.294   7.0372   26.666   4.8982  289.806   42.579  304.843   28.175 -15.03735 51.05722 
1 1 1    5   17   12 o  247.185   24.095   17.651   3.3578   20.967   4.7954   14.462   4.7033  270.238   31.116  224.132   36.796 46.10599 48.18921 
1 1 1    5   17   14 f  199.754   25.345   11.838   2.5335   11.336   4.7304   12.040   3.0001  194.450   43.719  205.059   25.654 -10.60820 50.69053 
1 1 1    5   17   16 o  948.048   21.745  258.413   11.642  253.855   17.660  261.917   15.483  940.209   32.936  955.886   28.402 -15.67657 43.49057 
1 1 1    5   17   18 o  358.983   26.955   38.791   4.1516   39.703   4.5903   34.694   9.7313  372.460   21.611  345.506   49.388 26.95422 53.90936 
1 1 1    5   17   20 o  167.085   40.245   7.3980   3.8167   6.7490   9.3668   7.5272   4.1794  175.627   67.112  158.544   44.438 17.08272 80.49082 
1 1 1    5   17   22 o  410.864   19.559   47.840   4.3476   46.129   5.3176   51.289   7.5505  400.637   23.274  421.091   31.442 -20.45404 39.11836 
1 1 1    5   17   24 o  427.191   17.481   52.057   4.1960   56.369   6.6213   49.163   5.4242  441.439   26.302  412.944   23.033 28.49515 34.96123 
1 1 1    5   17   26 o  170.753   41.097   7.8337   5.1574   14.179   7.5992   2.4152   7.0221  207.741   60.477  133.766   55.662 73.97467 82.19364 
1 1 1    5   17   28 o  235.926   24.236   16.698   3.2226   17.840   5.0121   15.893   4.2077  241.895   36.333  229.958   32.085 11.93750 48.47153 
1 1 1    5   17   30 o  128.999   34.657   3.5304   3.7565   9.2896   5.8680  -0.4687   4.8898  160.975   54.103   97.023   43.327 63.95203 69.31392 
1 1 1    5   17   32 o  101.808   32.421   0.1178   3.9036  -1.4950   5.0832   2.4360   6.0942   90.594   41.873  113.023   49.510 -22.42886 64.84293 
1 1 1    5   17   34 o   93.475   29.769   1.2568   3.3322   2.4604   4.9328   0.2465   4.5193   99.410   44.005   87.540   40.103 11.87006 59.53716 
1 1 1    5   17   36 o   75.166   25.759  -3.0740   3.6776 -11.0921   6.0622   1.5952   4.6261   65.332   33.055   85.000   39.516 -19.66786 51.51801 
1 1 1    5   18    1 o  1323.35   15.804  501.767   11.925  491.702   16.857  511.851   16.873  1310.00   22.564  1336.69   22.134 -26.69214 31.60738 
1 1 1    5   18    3 o  833.057   19.551  197.367   9.1049  189.976   11.671  208.859   14.553  813.836   25.147  852.277   29.942 -38.44098 39.10126 
1 1 1    5   18    5 o  1098.29   22.348  347.181   13.988  332.530   19.782  361.833   19.782  1074.90   32.270  1121.69   30.924 -46.78516 44.69503 
1 1 1    5   18    7 o  353.043   15.067   36.005   2.6028   36.325   2.9994   35.031   5.2376  356.594   14.749  349.492   26.279 7.101318 30.13484 
1 1 1    5   18    9 o  529.287   19.344   80.332   4.9716   80.350   10.184   80.326   5.6965  528.536   33.787  530.038   18.845 -1.501770 38.68759 
1 1 1    5   18   11 o  616.909   15.415  108.678   5.3522  107.700   7.0097  110.045   8.2884  613.742   20.027  620.075   23.439 -6.333496 30.82956 
1 1 1    5   18   13 o  1349.34   17.145  522.268   13.131  507.928   19.388  534.418   17.847  1331.92   25.525  1366.76   22.897 -34.83777 34.28999 
1 1 1    5   18   17 o  209.108   45.460   12.897   5.9452   13.694   8.6122   12.172   8.2173  214.482   64.878  203.734   63.696 10.74704 90.91969 
1 1 1    5   18   19 o  488.322   20.420   68.705   5.6602   77.093   8.0698   60.583   7.9412  517.931   27.321  458.712   30.357 59.21896 40.84081 
1 1 1    5   18   21 o  368.566   21.267   40.089   4.1802   41.831   5.1449   36.706   7.1703  381.498   23.648  355.633   35.354 25.86511 42.53415 
1 1 1    5   18   23 o  223.952   32.283   15.346   3.6073   14.756   6.9889   15.560   4.2117  216.678   56.113  231.226   31.940 -14.54794 64.56668 
1 1 1    5   18   25 o  271.914   22.273   21.890   3.3951   17.253   4.7682   26.658   4.8352  241.646   34.600  302.183   28.058 -60.53676 44.54664 
1 1 1    5   18   27 o  126.530   38.873   1.1889   4.9760   0.6093   8.7036   1.4703   6.0650  133.601   58.830  119.459   50.830 14.14222 77.74699 
1 1 1    5   18   29 o  116.235   34.079   2.5349   3.7754   0.1111   5.9596   4.1597   4.8794  108.882   48.274  123.587   48.114 -14.70507 68.15731 
1 1 1    5   18   31 o   95.167   30.978  -3.2590   4.1917   2.3076   5.6609 -10.0154   6.2367  111.851   48.369   78.482   38.717 33.36879 61.95656 
1 1 1    5   18   33 o   81.406   26.993  -1.8224   3.2201   0.0038   4.1946  -4.4433   5.0250   85.756   39.037   77.055   37.292 8.700851 53.98629 
1 1 1    5   18   35 o   91.560   30.233   1.6573   3.9606   4.3764   5.5884  -1.0867   5.6139  100.344   45.433   82.775   39.901 17.56969 60.46701 
1 1 1    5   19    0 o  478.279   15.232   65.754   5.8484   65.754   5.8484   65.754   5.8484  478.279   21.541  478.279   21.541 0.000000 0.000000 
1 1 1    5   19    2 o  847.078   21.584  206.233   10.427  205.636   14.742  206.831   14.749  845.842   30.561  848.313   30.487 -2.471130 43.16731 
1 1 1    5   19    4 o  633.113   18.929  114.193   6.4039  117.221   11.292  112.758   7.7751  638.615   31.005  627.611   21.723 11.00488 37.85776 
1 1 1    5   19    6 o  456.294   18.369   58.158   3.6616   62.077   8.7925   57.336   4.0274  464.604   33.185  447.985   15.764 16.61899 36.73867 
1 1 1    5   19    8 f  1221.85   19.779  429.294   12.972  424.578   22.466  431.653   15.888  1215.63   32.406  1228.08   22.686 -12.45422 39.55762 
1 1 1    5   19   10 f  730.015   20.334  155.049   7.9171  146.254   13.708  159.451   9.6982  713.513   33.688  746.517   22.780 -33.00348 40.66703 
1 1 1    5   19   12 o  809.858   20.220  187.875   8.7898  188.279   15.274  187.675   10.748  809.809   33.073  809.907   23.270 -0.9783936E-01 40.43912 
1 1 1    5   19   16 o  491.227   28.621   69.885   7.9965   65.093   11.428   74.484   11.193  474.400   42.239  508.055   38.633 -33.65524 57.24238 
1 1 1    5   19   18 o  323.319   25.841   30.228   4.7598   32.051   6.7830   28.459   6.6809  333.024   35.715  313.615   37.355 19.40884 51.68138 
1 1 1    5   19   20 o  504.520   20.735   73.494   5.9631   71.595   8.4790   75.352   8.3881  497.959   29.858  511.080   28.779 -13.12112 41.46962 
1 1 1    5   19   22 o  321.065   22.684   29.774   3.2939   30.354   7.4504   29.633   3.6723  321.039   40.694  321.091   20.055 -0.5245972E-01 45.36740 
1 1 1    5   19   24 o  439.830   20.259   56.753   4.9863   54.768   7.7609   58.149   6.5069  432.200   31.487  447.460   25.499 -15.25964 40.51741 
1 1 1    5   19   26 o  179.178   35.852   10.262   3.8213   12.940   5.8904   8.3168   5.0213  197.735   51.665  160.622   49.722 37.11287 71.70494 
1 1 1    5   19   28 o  175.363   35.506   11.403   4.3215   16.153   5.4068   3.0011   7.1910  220.683   44.497  130.042   55.341 90.64096 71.01113 
1 1 1    5   19   30 o   86.416   29.585  -6.9181   4.4023  -5.3790   6.7016  -8.0864   5.8388   93.151   44.560   79.680   38.929 13.47156 59.16913 
1 1 1    5   19   32 o  119.522   31.939   5.2793   2.9720   4.3768   3.9879   6.4066   4.4571  111.797   43.505  127.248   46.773 -15.45043 63.87821 
1 1 1    5   19   34 o   97.485   31.828   1.1537   4.7549 -10.6757   8.2556   7.0259   5.8166   79.726   40.117  115.243   49.424 -35.51752 63.65643 
1 1 1    5   20    1 o  561.156   22.590   90.505   7.2280   92.436   10.218   88.571   10.226  567.195   31.590  555.116   32.300 12.07941 45.18021 
1 1 1    5   20    3 o  353.264   16.220   35.730   3.2672   36.424   4.6215   35.035   4.6195  356.711   22.718  349.816   23.156 6.895447 32.43917 
1 1 1    5   20    5 o  699.607   13.603  139.291   5.3094  143.016   8.4846  136.893   6.8068  707.075   21.041  692.139   17.245 14.93646 27.20508 
1 1 1    5   20    7 o  846.146   18.364  209.433   7.1827  197.631   15.531  212.644   8.1010  829.515   32.832  862.777   16.464 -33.26190 36.72884 
1 1 1    5   20    9 o  575.507   20.446   92.932   6.3671  101.247   11.096   88.851   7.7742  593.861   32.765  557.154   24.467 36.70752 40.89228 
1 1 1    5   20   11 o  501.365   25.733   72.283   7.3570   73.452   10.408   71.115   10.401  505.450   36.107  497.280   36.675 8.170135 51.46644 
1 1 1    5   20   15 o  1189.05   16.757  405.092   11.361  411.675   16.024  398.438   16.111  1198.83   23.438  1179.28   23.956 19.54956 33.51428 
1 1 1    5   20   17 o  945.139   16.889  256.177   9.1001  247.057   12.738  265.682   13.005  927.922   24.071  962.356   23.697 -34.43420 33.77785 
1 1 1    5   20   19 o  495.646   17.555   70.446   4.5452   70.126   5.4268   71.198   8.3187  494.621   19.239  496.670   29.369 -2.048828 35.10970 
1 1 1    5   20   21 o  105.779   27.307  -2.1151   3.1127 -13.3327   4.6822   6.7687   4.1668   61.501   30.845  150.058   45.069 -88.55752 54.61315 
1 1 1    5   20   23 o  119.576   28.183   0.4093   2.9563  -5.9746   3.8916   9.1204   4.5459   68.176   32.952  170.977   45.731 -102.8011 56.36585 
1 1 1    5   20   25 o  114.666   30.750   0.9057   3.2226  -4.1257   4.3464   7.0489   4.8026   79.238   37.306  150.094   48.893 -70.85694 61.50055 
1 1 1    5   20   27 o  126.460   33.073   4.7104   3.1036   3.0884   5.6050   5.4276   3.7272  122.198   50.180  130.723   43.097 -8.525452 66.14652 
1 1 1    5   20   29 o  166.667   47.265   4.3224   3.8108   29.363   14.564   2.4819   3.9484  228.967   84.488  104.366   42.401 124.6010 94.53024 
1 1 1    5   20   31 o  136.596   33.331   5.0839   3.7855   14.559   5.8748  -1.6429   4.9501  186.134   52.868   87.059   40.607 99.07498 66.66255 
1 1 1    5   20   33 o   95.368   30.712   2.1107   3.6152   2.9659   4.3072   0.0723   6.6501   96.700   42.004   94.035   44.817 2.665108 61.42371 
1 1 1    5   20   35 f   85.744   28.890   1.9850   3.8611   0.6813   5.1592   3.6448   5.8213   80.841   38.783   90.646   42.829 -9.805038 57.77919 
1 1 1    5   21    2 o  148.310   22.822   6.5599   1.9452   3.9016   2.7486   9.2271   2.7532  117.170   36.872  179.449   26.903 -62.27926 45.64354 
1 1 1    5   21    4 o  723.384   17.371  147.964   5.9811  153.184   12.718  146.482   6.7773  730.687   30.522  716.082   16.596 14.60510 34.74199 
1 1 1    5   21    6 o  1342.31   18.970  517.180   12.860  513.855   24.793  518.405   15.042  1337.92   32.494  1346.70   19.586 -8.785767 37.94013 
1 1 1    5   21    8 o  504.450   14.906   73.461   4.1371   75.550   5.2463   70.025   6.7277  514.223   17.890  494.676   23.848 19.54706 29.81226 
1 1 1    5   21   10 o  655.705   20.004  123.268   6.7204  123.169   12.678  123.306   7.9255  654.772   33.952  656.638   21.164 -1.865662 40.00845 
1 1 1    5   21   14 o  825.447   17.201  195.345   8.0947  191.824   11.516  198.783   11.381  818.030   24.685  832.863   23.960 -14.83282 34.40143 
1 1 1    5   21   16 o  600.322   16.559  104.659   5.3475  107.362   6.5997   99.492   9.1242  612.387   18.898  588.258   27.198 24.12939 33.11870 
1 1 1    5   21   18 o  404.675   23.386   47.421   5.3963   48.582   7.6766   46.286   7.5871  409.613   32.863  399.737   33.282 9.876068 46.77231 
1 1 1    5   21   20 o  179.770   35.428   9.8146   3.5951   9.6747   4.3475   10.117   6.3940  177.540   43.321  181.999   56.070 -4.459305 70.85607 
1 1 1    5   21   22 o  213.697   32.286   15.055   3.7030   10.695   6.3162   17.338   4.5710  184.338   55.517  243.056   32.977 -58.71826 64.57245 
1 1 1    5   21   24 o  112.540   31.598   2.4318   3.0808   3.7037   4.0776   0.7400   4.7028  119.889   44.612  105.191   44.759 14.69723 63.19519 
1 1 1    5   21   26 o  232.134   26.872   17.709   3.0566   15.088   5.5891   18.827   3.6510  212.362   47.356  251.907   25.414 -39.54538 53.74459 
1 1 1    5   21   28 f  127.630   36.196   4.7665   3.6052   5.4506   3.9610   1.4639   8.7033  128.304   44.420  126.955   57.161 1.348610 72.39179 
1 1 1    5   21   30 o  105.391   32.616   1.6052   3.8786  -1.5841   5.7618   4.2478   5.2448   94.013   43.837  116.770   48.307 -22.75715 65.23203 
1 1 1    5   21   32 o  130.282   36.520   8.0423   3.6880   10.109   8.3847   7.5466   4.1066  129.496   57.345  131.067   45.238 -1.570663 73.04007 
1 1 1    5   21   34 o   94.698   30.684   3.5647   3.8147   0.1857   5.2287   7.4099   5.5778   81.486   39.079  107.910   47.316 -26.42345 61.36738 
1 1 1    5   22    1 o  539.107   23.227   83.443   7.1405   82.280   10.098   84.605   10.098  535.325   33.077  542.889   32.617 -7.564514 46.45414 
1 1 1    5   22    3 o  1118.76   15.821  357.984   10.093  366.693   14.342  349.441   14.205  1132.26   22.211  1105.25   22.537 27.00708 31.64256 
1 1 1    5   22    5 o  978.875   19.305  271.498   10.169  283.539   17.758  265.622   12.405  994.127   31.323  963.622   22.573 30.50452 38.60955 
1 1 1    5   22    7 o  439.614   19.205   51.016   3.5367   62.010   9.2269   49.123   3.8291  464.521   34.830  414.708   16.191 49.81284 38.40940 
1 1 1    5   22    9 o  416.436   23.761   51.164   5.0641   46.750   9.3413   53.002   6.0265  402.627   40.683  430.245   24.561 -27.61804 47.52236 
1 1 1    5   22   11 o  549.605   36.390   87.015   11.406   0.0000   0.0000   87.015   11.406  ?   ?   549.605   36.390      ?      ? 
1 1 1    5   22   13 o  254.296   36.558   20.271   4.8684   16.360   8.4798   22.194   5.9460  231.423   62.696  277.170   37.617 -45.74615 73.11537 
1 1 1    5   22   15 o  594.790   19.162  101.955   6.4842   94.501   9.2106  109.280   9.1300  572.982   28.187  616.597   25.964 -43.61481 38.32314 
1 1 1    5   22   17 o  126.836   36.425   1.9852   4.1730   0.2491   5.9370   3.6803   5.8667  117.644   50.179  136.028   52.813 -18.38386 72.85075 
1 1 1    5   22   19 o  215.764   31.932   15.301   3.3687   11.448   6.7236   16.592   3.8925  192.234   57.141  239.294   28.523 -47.06085 63.86414 
1 1 1    5   22   21 o  210.191   28.133   13.550   3.2687   11.101   4.7337   15.782   4.5191  188.756   44.671  231.625   34.212 -42.86971 56.26642 
1 1 1    5   22   23 o  122.473   33.965   3.3036   3.2096   3.2571   6.0647   3.3217   3.7828  130.010   52.644  114.936   42.930 15.07387 67.92943 
1 1 1    5   22   25 o  148.387   31.568   7.2247   2.7988   7.4514   3.3944   6.7434   4.9462  151.955   38.980  144.820   49.667 7.135834 63.13669 
1 1 1    5   22   27 f  120.151   35.714   2.8713   4.1799   1.2534   5.7754   4.6511   6.0572  110.807   48.377  129.496   52.551 -18.68907 71.42757 
1 1 1    5   22   29 o  101.553   31.830   1.2920   3.5537  -1.1230   6.5646   2.2931   4.2266  101.375   47.110  101.731   42.816 -0.3558197 63.65919 
1 1 1    5   22   31 o   86.294   28.826  -1.3473   3.7285   0.1306   4.6835  -3.9045   6.1609   87.930   40.482   84.659   41.048 3.271286 57.65196 
1 1 1    5   22   33 o   68.566   23.167  -1.3697   2.4241  -0.9820   4.0871  -1.5801   3.0108   73.786   35.158   63.345   30.181 10.44058 46.33490 
1 1 1    5   23    0 o  1512.36   16.435  653.786   20.035  653.786   20.035  653.786   20.035  1512.36   23.242  1512.36   23.242 0.000000 0.000000 
1 1 1    5   23    2 o  637.001   22.986  116.519   8.3478  113.283   11.811  119.749   11.800  628.098   32.975  645.904   32.034 -17.80603 45.97297 
1 1 1    5   23    4 o  951.946   17.877  258.216   9.4937  265.521   15.180  253.524   12.167  962.557   27.654  941.336   22.664 21.22168 35.75456 
1 1 1    5   23    6 o  1290.27   19.847  474.912   13.750  484.321   23.981  470.304   16.783  1298.60   32.381  1281.95   22.956 16.64392 39.69300 
1 1 1    5   23    8 o  1628.35   20.451  756.498   17.891  773.547   31.186  748.134   21.844  1640.29   33.338  1616.41   23.696 23.88000 40.90168 
1 1 1    5   23   10 o  653.934   23.274  122.496   8.6797   0.0000   0.0000  122.496   8.6797  ?   ?   653.934   23.274      ?      ? 
1 1 1    5   23   12 o  468.381   25.812   67.140   6.2528   53.766   10.871   73.751   7.6436  429.980   44.334  506.782   26.447 -76.80167 51.62368 
1 1 1    5   23   14 f  624.444   16.516  114.143   5.4634  105.922   9.5361  118.160   6.6658  606.525   27.569  642.362   18.196 -35.83783 33.03289 
1 1 1    5   23   16 o  450.306   18.814   57.280   4.5688   54.999   5.5644   62.000   8.0039  437.534   22.301  463.079   30.308 -25.54568 37.62796 
1 1 1    5   23   18 o  275.143   21.024   22.149   3.2231   16.529   4.4817   28.170   4.6385  238.131   33.002  312.156   26.056 -74.02496 42.04812 
1 1 1    5   23   20 o  223.383   32.003   18.587   3.4434   21.735   3.9707   9.0374   6.9156  273.646   25.444  173.119   58.732 100.5266 64.00619 
1 1 1    5   23   22 o  273.803   19.967   22.432   3.0616   18.440   4.4500   26.020   4.2188  249.299   31.300  298.307   24.799 -49.00792 39.93341 
1 1 1    5   23   24 o  217.958   32.729   14.775   4.0302   22.401   6.3823   9.7169   5.1974  266.482   41.997  169.433   50.210 97.04845 65.45849 
1 1 1    5   23   26 o  159.026   35.892   6.6184   3.4092   3.6829   3.9191   15.748   6.9116  114.074   43.454  203.978   57.137 -89.90405 71.78359 
1 1 1    5   23   28 o  139.668   33.293   4.7115   3.6070   14.638   5.9902  -0.9353   4.5180  191.319   53.051   88.017   40.239 103.3024 66.58524 
1 1 1    5   23   30 o   75.555   26.602  -9.9717   4.4449  -5.3308   6.4817 -14.0918   6.1072   84.182   41.104   66.928   33.780 17.25425 53.20391 
1 1 1    5   23   32 o   80.279   27.217  -1.6334   3.7245  -6.1962   5.6500   1.8731   4.9531   71.517   35.556   89.041   41.218 -17.52425 54.43483 
1 1 1    5   24    1 o  154.779   34.081   5.9440   3.2652   10.293   5.6672   3.7830   3.9949  185.508   51.659  124.050   44.467 61.45806 68.16135 
1 1 1    5   24    3 o  588.416   23.406   99.308   7.8073  115.010   11.334   85.128   10.770  632.823   31.405  544.008   34.716 88.81476 46.81265 
1 1 1    5   24    5 o  771.605   19.716  167.844   8.1924  179.644   14.364  162.154   9.9736  790.661   31.856  752.549   23.239 38.11224 39.43164 
1 1 1    5   24    7 o  726.442   23.717  151.185   9.8256   0.0000   0.0000  151.185   9.8256  ?   ?   726.442   23.717      ?      ? 
1 1 1    5   24    9 o  813.324   19.287  189.287   8.9456   0.0000   0.0000  189.287   8.9456  ?   ?   813.324   19.287      ?      ? 
1 1 1    5   24   11 o  298.964   27.132   24.525   3.3653   28.000   8.7328   23.919   3.6469  309.098   49.541  288.830   22.141 20.26791 54.26339 
1 1 1    5   24   13 o  554.671   14.724   88.712   4.6271   83.228   6.8135   93.406   6.3036  538.457   22.188  570.885   19.362 -32.42816 29.44827 
1 1 1    5   24   15 o  409.711   18.223   44.561   3.8704   39.851   4.5071   57.789   7.5528  372.461   21.219  446.961   29.631 -74.50046 36.44509 
1 1 1    5   24   17 o  391.904   20.393   44.017   4.0672   45.793   7.8196   43.359   4.7620  395.754   34.647  388.054   21.518 7.700195 40.78537 
1 1 1    5   24   19 o  243.787   37.035   18.879   4.9973   20.199   7.0711   17.563   7.0634  253.168   50.743  234.406   53.957 18.76245 74.06900 
1 1 1    5   24   21 o  348.992   27.898   37.012   5.5524   37.192   7.8648   36.833   7.8399  349.857   39.419  348.127   39.489 1.730255 55.79651 
1 1 1    5   24   23 o  155.674   36.829   6.9000   3.7901   4.1437   4.6579   12.301   6.5202  124.199   47.358  187.150   56.416 -62.95090 73.65786 
1 1 1    5   24   25 o  119.721   37.055   1.7709   4.7442   1.8810   7.4865   1.6970   6.1329  123.903   54.560  115.539   50.154 8.363503 74.10976 
1 1 1    5   24   27 o   84.723   28.510  -4.2369   3.4461  -6.2162   4.2124  -0.2312   5.9925   67.527   33.007  101.920   46.496 -34.39275 57.02063 
1 1 1    5   24   29 o   94.430   31.148  -0.7603   4.2864   2.2739   5.4010  -5.9229   7.0452  102.027   45.551   86.833   42.495 15.19407 62.29517 
1 1 1    5   24   31 o   95.895   32.237   1.6293   5.0480  -4.3869   7.9463   5.6999   6.5363   85.615   42.497  106.175   48.485 -20.55957 64.47367 
1 1 1    5   25    0 o  796.563   16.369  181.791   10.496  181.791   10.496  181.791   10.496  796.563   23.150  796.563   23.150 -0.000000 0.000000 
1 1 1    5   25    2 o  808.844   19.756  188.222   8.5609  186.518   14.887  189.064   10.464  805.174   32.422  812.513   22.583 -7.339478 39.51154 
1 1 1    5   25    4 o  388.012   26.966   43.316   5.9440   49.019   8.6817   38.283   8.1553  412.115   36.940  363.908   39.297 48.20731 53.93280 
1 1 1    5   25    6 o  345.534   29.470   34.330   5.8071   0.0000   0.0000   34.330   5.8071  ?   ?   345.534   29.470      ?      ? 
1 1 1    5   25    8 o  668.255   23.994  128.138   9.1439   0.0000   0.0000  128.138   9.1439  ?   ?   668.255   23.994      ?      ? 
1 1 1    5   25   10 o  479.479   14.889   66.309   4.0377   69.455   5.4539   62.493   6.0063  492.339   19.425  466.619   22.571 25.72006 29.77874 
1 1 1    5   25   12 o  664.130   22.423  125.947   8.0420  132.806   13.963  122.542   9.8377  676.023   36.217  652.237   26.448 23.78607 44.84598 
1 1 1    5   25   14 o  494.387   25.286   69.105   6.7792   78.526   11.844   64.515   8.2674  517.184   40.157  471.591   30.740 45.59317 50.57249 
1 1 1    5   25   16 o  569.984   17.508   94.559   5.2975   95.763   6.4380   92.033   9.3227  577.079   19.562  562.889   29.042 14.19067 35.01590 
1 1 1    5   25   18 o  338.765   26.059   35.037   4.8287   38.334   6.2224   30.044   7.6561  361.615   30.173  315.915   42.496 45.69943 52.11797 
1 1 1    5   25   20 o  221.172   39.111   16.428   5.0270   20.863   7.1311   12.048   7.0876  252.963   51.189  189.382   59.147 63.58139 78.22194 
1 1 1    5   25   22 o  387.774   21.524   43.919   4.2941   48.678   8.1934   42.117   5.0420  397.528   36.141  378.021   23.388 19.50635 43.04887 
1 1 1    5   25   24 o  130.208   40.909   2.0468   6.1136   0.3521   8.7756   3.6450   8.5219  125.090   56.757  135.325   58.932 -10.23518 81.81834 
1 1 1    5   25   26 o  171.561   51.632   15.365   8.3877   19.846   15.652   13.560   9.9347  176.349   78.207  166.774   67.432 9.574631 103.2643 
1 1 1    5   25   28 o   85.736   29.907  -8.0004   4.8893  -1.8457   7.8081 -11.9704   6.2710   99.825   47.843   71.647   35.900 28.17828 59.81419 
1 1 1    5   25   30 o   90.383   28.081   2.1950   2.8249   4.1726   4.1468   0.4825   3.8589  100.512   42.362   80.254   36.873 20.25819 56.16146 
1 1 1    5   25   32 o   90.719   31.133   2.9751   4.4076   11.932   8.0560  -0.8517   5.2656  105.919   50.147   75.519   36.911 30.40015 62.26694 
1 1 1    5   26    1 o  276.896   12.953   22.223   2.0109   26.601   2.8243   17.722   2.8637  305.018   16.237  248.774   20.185 56.24359 25.90507 
1 1 1    5   26    3 o  177.841   54.716   9.3444   6.0912   0.0000   0.0000   9.3444   6.0912  ?   ?   177.841   54.716      ?      ? 
1 1 1    5   26    5 o  591.031   25.045  100.331   8.4418   0.0000   0.0000  100.331   8.4418  ?   ?   591.031   25.045      ?      ? 
1 1 1    5   26    7 o  355.084   25.193   38.099   4.8141   31.076   7.8049   42.412   6.1161  326.436   41.925  383.732   27.948 -57.29623 50.38654 
1 1 1    5   26    9 o  925.906   19.396  244.406   8.8570  252.376   17.858  241.806   10.200  933.392   33.550  918.419   19.474 14.97247 38.79199 
1 1 1    5   26   11 o  348.862   31.833   40.612   4.7051   29.244   9.9592   43.878   5.3384  307.263   58.980  390.461   23.974 -83.19727 63.66641 
1 1 1    5   26   13 o  172.524   40.613   8.8325   5.0583   1.5560   8.7147   12.530   6.2118  144.653   61.212  200.396   53.393 -55.74298 81.22591 
1 1 1    5   26   15 o  292.331   25.448   23.148   3.9785   31.072   7.3340   19.844   4.7359  324.020   39.689  260.643   31.862 63.37759 50.89601 
1 1 1    5   26   17 o  281.288   33.852   25.095   5.1592   18.382   7.3590   31.583   7.2349  237.941   55.286  324.635   39.079 -86.69328 67.70325 
1 1 1    5   26   19 o  392.732   16.698   45.124   3.7370   45.371   5.1918   44.859   5.3832  394.058   23.103  391.406   24.117 2.652435 33.39700 
1 1 1    5   26   21 o  139.917   36.197   5.6017   3.4253   4.9790   3.9862   7.3587   6.6961  127.520   44.538  152.314   57.072 -24.79375 72.39421 
1 1 1    5   26   23 o  127.430   37.560  -1.5622   4.1374   13.060   8.7819  -5.7338   4.6907  179.293   65.692   75.566   36.438 103.7270 75.12077 
1 1 1    5   26   27 o  138.822   37.303   9.0500   4.0894   6.8431   8.9470   9.6329   4.5978  126.497   57.362  151.147   47.705 -24.64966 74.60619 
1 1 1    5   26   29 o  139.054   24.333   8.6897   3.1060   14.984   3.7320  -5.4961   5.6026  203.977   32.083   74.131   36.595 129.8457 48.66677 
1 1 1    5   26   31 o   87.431   26.218   3.2738   2.7241   5.2351   2.9676  -7.2265   6.8664  103.545   38.150   71.317   35.974 32.22807 52.43572 
1 1 1    5   27    0 o  606.104   16.981  105.636   8.2709  105.636   8.2709  105.636   8.2709  606.104   24.014  606.104   24.014 -0.000000 0.000000 
1 1 1    5   27    2 o  743.005   18.447  158.125   7.8165   0.0000   0.0000  158.125   7.8165  ?   ?   743.005   18.447      ?      ? 
1 1 1    5   27    4 o  428.685   38.184   53.448   9.3349   0.0000   0.0000   53.448   9.3349  ?   ?   428.685   38.184      ?      ? 
1 1 1    5   27    6 o  451.144   20.401   53.391   3.9446   67.212   10.062   50.881   4.2878  480.836   36.696  421.451   17.840 59.38553 40.80246 
1 1 1    5   27    8 o  586.775   22.664  101.344   6.9718   95.697   12.442  103.928   8.4174  572.721   38.094  600.830   24.566 -28.10858 45.32830 
1 1 1    5   27   10 o  112.831   33.156   1.9353   2.9213  -4.1245   7.8550   2.9080   3.1471  117.075   53.342  108.587   39.395 8.488525 66.31235 
1 1 1    5   27   12 o  141.447   40.676   2.6221   4.9191   5.5914   8.4689   1.1102   6.0431  161.124   63.204  121.770   51.220 39.35422 81.35239 
1 1 1    5   27   14 o  326.684   33.530   31.806   5.9157   33.939   10.257   30.743   7.2416  331.844   54.197  321.524   39.494 10.32028 67.05997 
1 1 1    5   27   16 o  289.147   25.223   23.192   3.7686   29.323   7.3450   21.002   4.3906  310.971   41.417  267.323   28.800 43.64822 50.44638 
1 1 1    5   27   18 o  255.617   36.029   21.523   5.0664   21.723   7.2642   21.334   7.0698  256.467   51.456  254.768   50.444 1.699554 72.05820 
1 1 1    5   27   20 o  154.596   35.512   5.7453   3.7105   1.6391   4.4798   14.717   6.6218  105.816   44.281  203.376   55.531 -97.56042 71.02473 
1 1 1    5   27   22 o  231.635   49.355   23.123   7.0897   25.159   10.041   21.099   10.012  243.755   69.076  219.515   70.513 24.23926 98.70999 
1 1 1    5   27   24 o  118.784   55.338   0.2242   9.1492   0.2242   9.1492   0.0000   0.0000  118.784   55.338  ?   ?       ?      ? 
1 1 1    5   27   26 o  115.510   32.914   1.0338   3.7031   12.323   6.2500  -5.0734   4.5969  159.141   55.758   71.879   34.990 87.26281 65.82785 
1 1 1    5   27   28 o   67.139   23.697  -7.9503   3.6237  -5.3185   5.3318 -10.2094   4.9400   72.949   35.952   61.328   30.881 11.62100 47.39367 
1 1 1    5   27   30 o  133.535   32.595   11.598   3.4111   8.8518   6.0361   12.887   4.1346  107.587   48.085  159.483   44.019 -51.89647 65.19048 
1 1 1    5   28    1 o  961.765   23.183  267.936   12.693  290.307   18.212  246.804   17.700  1001.20   31.896  922.334   33.651 78.86310 46.36549 
1 1 1    5   28    3 o  351.041   42.985   36.179   8.6053   0.0000   0.0000   36.179   8.6053  ?   ?   351.041   42.985      ?      ? 
1 1 1    5   28    5 o  572.375   26.010   94.517   8.4901   0.0000   0.0000   94.517   8.4901  ?   ?   572.375   26.010      ?      ? 
1 1 1    5   28    7 o  105.938   33.311  -0.7911   3.4625  -2.1051   7.3117  -0.4113   3.9313  119.297   53.149   92.578   40.171 26.71871 66.62241 
1 1 1    5   28    9 o  456.240   23.316   60.041   6.0665   0.0000   0.0000   60.041   6.0665  ?   ?   456.240   23.316      ?      ? 
1 1 1    5   28   11 o  621.807   21.774  110.446   6.5948  117.533   13.611  108.272   7.5388  630.931   37.827  612.683   21.576 18.24719 43.54820 
1 1 1    5   28   13 o  296.232   35.535   26.237   5.3071   30.223   10.057   24.699   6.2478  304.707   60.013  287.756   38.072 16.95044 71.07059 
1 1 1    5   28   15 o  155.964   32.993   7.4580   3.2195   10.184   4.8277   5.2751   4.3205  177.822   46.923  134.106   46.395 43.71597 65.98685 
1 1 1    5   28   17 o  248.044   33.570   19.612   4.6250   15.547   6.1789   24.792   6.9748  215.227   51.103  280.861   43.546 -65.63399 67.14006 
1 1 1    5   28   19 o  150.316   37.348   6.5378   3.8324   11.397   6.7128   4.1883   4.6678  177.403   57.805  123.228   47.308 54.17490 74.69580 
1 1 1    5   28   23 o  126.117   57.495   3.1138   9.1422   3.1138   9.1422   0.0000   0.0000  126.117   57.495  ?   ?       ?      ? 
1 1 1    5   28   25 o  102.170   31.387  -0.6732   3.4094  -5.1191   4.1289   8.8538   6.0442   67.283   32.842  137.057   53.497 -69.77464 62.77360 
1 1 1    5   28   27 f   86.553   28.487   0.3711   3.4070   2.6346   5.0754  -1.4855   4.5965   95.120   43.160   77.986   37.193 17.13338 56.97501 
1 1 1    5   28   29 o   93.585   30.769   4.6719   3.9547   5.5382   5.8360   3.9364   5.3776   96.197   44.605   90.972   42.396 5.225288 61.53881 
1 1 1    5   29    2 o  713.867   35.670  149.045   14.522  149.045   14.522   0.0000   0.0000  713.867   35.670  ?   ?       ?      ? 
1 1 1    5   29    4 o  515.127   21.974   73.753   5.5167   83.976   11.564   70.741   6.2771  534.712   37.922  495.541   22.212 39.17120 43.94816 
1 1 1    5   29    6 o  275.940   37.946   22.402   5.9714   0.0000   0.0000   22.402   5.9714  ?   ?   275.940   37.946      ?      ? 
1 1 1    5   29    8 o  348.031   29.345   37.973   4.7528   32.416   9.8072   39.679   5.4335  326.070   52.740  369.993   25.751 -43.92230 58.69077 
1 1 1    5   29   10 o  140.120   38.690   3.0939   3.7257   8.3309   8.3507   1.7925   4.1629  172.438   63.907  107.802   43.629 64.63649 77.37929 
1 1 1    5   29   12 o  279.585   39.376   26.109   5.7884   22.436   9.9035   28.015   7.1338  255.157   67.148  304.013   41.147 -48.85582 78.75215 
1 1 1    5   29   14 o  485.608   27.694   73.130   7.1460   68.649   12.326   75.399   8.7702  467.865   46.198  503.350   30.552 -35.48508 55.38700 
1 1 1    5   29   16 o  243.643   28.110   17.614   3.7103   23.350   6.3055   14.576   4.5888  273.189   40.473  214.098   39.021 59.09137 56.22033 
1 1 1    5   29   18 o  148.679   36.690   5.5662   4.6255   13.892   6.5523  -2.7045   6.5307  194.803   55.998  102.555   47.423 92.24759 73.38079 
1 1 1    5   29   22 o  144.837   43.808   8.9475   6.4324   10.407   9.3118   7.6155   8.8959  150.288   63.417  139.385   60.455 10.90324 87.61588 
1 1 1    5   29   24 o   99.911   30.037   1.5137   3.5655   6.0575   4.3975  -7.2048   6.0914  121.624   46.101   78.199   38.517 43.42458 60.07431 
1 1 1    5   29   26 o   87.775   29.125  -0.9567   3.3854  -4.2199   4.1118   5.9111   5.9651   66.361   32.473  109.188   48.359 -42.82761 58.25040 
1 1 1    5   29   28 o   72.741   25.499  -4.6153   4.0631   1.1482   5.5398 -11.3253   5.9774   82.690   39.803   62.793   31.883 19.89668 50.99794 
1 1 1    5   30    1 o  284.504   26.091   22.816   3.5827   25.855   7.5916   21.945   4.0636  293.836   45.304  275.172   25.895 18.66342 52.18218 
1 1 1    5   30    3 o  185.092   34.811   12.138   4.0652   1.8505   8.2730   15.412   4.6675  141.407   59.728  228.777   35.775 -87.37003 69.62277 
1 1 1    5   30    5 f  125.427   36.841   1.3317   3.7669   4.6671   7.7452   0.2983   4.3112  150.647   60.012  100.208   42.752 50.43957 73.68262 
1 1 1    5   30    7 o  204.257   48.768   13.243   5.6022   0.0000   0.0000   13.243   5.6022  ?   ?   204.257   48.768      ?      ? 
1 1 1    5   30    9 o  313.625   17.896   28.707   3.0917   28.699   5.0685   28.711   3.9017  312.649   28.427  314.600   21.747 -1.950745 35.79149 
1 1 1    5   30   11 o  393.220   25.520   40.443   4.9656   60.124   10.664   34.995   5.6111  442.215   42.286  344.225   28.583 97.98965 51.03980 
1 1 1    5   30   13 o  273.402   28.260   22.784   4.2169   21.935   5.2238   24.371   7.1450  269.158   34.032  277.645   45.125 -8.486938 56.51939 
1 1 1    5   30   15 o  229.400   26.502   17.385   3.1987   11.481   4.7177   22.409   4.3516  185.394   45.061  273.406   27.909 -88.01219 53.00427 
1 1 1    5   30   17 o  186.046   44.791   13.006   5.4806   10.955   6.7807   16.870   9.3079  170.956   58.156  201.137   68.138 -30.18066 89.58140 
1 1 1    5   30   21 o  102.122   30.513   2.0123   3.2192  -0.9824   4.7900   4.4791   4.3475   88.827   40.911  115.418   45.281 -26.59080 61.02571 
1 1 1    5   30   23 o  112.953   33.758   3.9791   3.4996   8.5160   6.2739   1.9299   4.2165  131.791   53.482   94.115   41.206 37.67561 67.51506 
1 1 1    5   30   25 o  117.256   30.482   6.3569   2.8703   3.6156   4.1317   8.9142   3.9906   96.925   41.614  137.586   44.552 -40.66069 60.96416 
1 1 1    5   30   27 o  101.756   27.657   4.8543   2.7619  -0.4334   4.1834   8.9401   3.6773   73.129   35.041  130.383   42.799 -57.25407 55.31332 
1 1 1    5   31    0 o  407.860   29.107   50.147   9.3510   50.147   9.3510   50.147   9.3510  407.860   41.164  407.860   41.164 -0.000000 0.000000 
1 1 1    5   31    2 o  228.086   36.220   16.051   4.4617   19.424   7.4636   14.174   5.5656  244.769   54.830  211.403   47.342 33.36635 72.44026 
1 1 1    5   31    4 o  219.212   41.784   15.620   5.1527   17.104   8.8080   14.848   6.3532  224.498   65.040  213.925   52.474 10.57254 83.56823 
1 1 1    5   31    6 o  295.199   33.689   25.777   5.4844   32.465   9.3168   22.230   6.7845  321.398   50.831  269.001   44.225 52.39697 67.37724 
1 1 1    5   31    8 o  180.524   51.438   10.720   5.5522   0.0000   0.0000   10.720   5.5522  ?   ?   180.524   51.438      ?      ? 
1 1 1    5   31   10 o  134.218   37.823   4.3855   3.8784   2.5061   8.5285   4.8755   4.3547  138.939   59.724  129.498   46.426 9.441284 75.64606 
1 1 1    5   31   12 o  418.846   24.526   48.909   4.2303   61.266   11.168   46.839   4.5709  437.307   44.782  400.384   20.018 36.92276 49.05255 
1 1 1    5   31   14 o  296.363   38.175   30.093   5.9542   32.397   10.273   28.928   7.3067  293.831   63.182  298.896   42.865 -5.064545 76.35079 
1 1 1    5   31   16 o  149.761   43.033   5.7265   6.3613   14.163   9.0269  -2.5966   8.9658  183.093   66.675  116.429   54.421 66.66413 86.06533 
1 1 1    5   31   20 o  146.428   37.585   8.5912   4.5969   15.190   6.5451   2.1678   6.4578  183.368   56.768  109.487   49.273 73.88124 75.16925 
1 1 1    5   31   22 o  145.339   35.962   9.1558   3.4033   7.4791   4.0229   13.377   6.3828  132.216   44.795  158.463   56.270 -26.24686 71.92329 
1 1 1    5   31   24 o  101.470   32.957   4.5242   4.3557   4.4360   6.2073   4.6097   6.1135  101.183   46.591  101.756   46.626 -0.5727844 65.91432 
1 1 1    5   31   26 o   94.705   31.148   3.5979   4.3590   11.712   6.2557  -4.0600   6.0772  116.737   50.664   72.673   36.250 44.06413 62.29689 
1 1 1    5   32    1 o   96.291   30.966  -1.9920   3.6038  -3.1597   6.0436  -1.3477   4.4893  100.448   46.149   92.133   41.302 8.315079 61.93208 
1 1 1    5   32    3 o  151.189   35.099   6.5431   4.2602  -2.4814   6.8776   12.162   5.4267  109.949   50.025  192.429   49.246 -82.47936 70.19715 
1 1 1    5   32    5 o  459.646   15.496   62.157   4.0274   56.320   5.8977   67.257   5.5130  438.419   23.589  480.872   20.103 -42.45370 30.99295 
1 1 1    5   32    7 o  193.049   40.530   13.693   5.1029   7.3097   8.6955   17.045   6.3021  160.084   63.645  226.014   50.200 -65.92949 81.06020 
1 1 1    5   32    9 o  149.108   43.830   5.1264   6.1757   2.8567   8.4421   7.7392   9.0577  137.404   59.244  160.812   64.610 -23.40843 87.65994 
1 1 1    5   32   11 o  233.929   42.673   18.816   5.5422   26.634   9.5380   14.831   6.8097  265.875   63.734  201.983   56.762 63.89215 85.34621 
1 1 1    5   32   13 o  323.727   35.075   35.945   5.2139   35.859   10.625   35.972   5.9838  305.459   63.084  341.994   30.681 -36.53467 70.14922 
1 1 1    5   32   15 o  179.274   37.364   12.588   4.1037   13.649   5.0657   10.563   6.9991  195.814   46.123  162.733   58.794 33.08148 74.72723 
1 1 1    5   32   17 o   96.334   43.102   0.4105   4.8640   0.0000   0.0000   0.4105   4.8640  ?   ?    96.334   43.102      ?      ? 
1 1 1    5   32   19 o  109.532   30.993   3.4742   3.2498  -0.6914   4.8270   6.9275   4.3950   88.263   40.799  130.801   46.667 -42.53786 61.98674 
1 1 1    5   32   21 o  158.391   36.207   10.350   3.5601   6.6868   4.2249   19.319   6.6115  122.568   45.450  194.214   56.374 -71.64516 72.41333 
1 1 1    5   32   23 o   93.875   31.250   2.6170   4.3268   1.0786   6.1113   4.1632   6.1267   89.246   42.653   98.505   45.685 -9.258209 62.50084 
1 1 1    5   33    0 o  175.736   42.737   12.208   5.4488   12.208   5.4488   12.208   5.4488  175.736   60.440  175.736   60.440 0.000000 0.000000 
1 1 1    5   33    2 o  133.315   36.200   3.4550   3.9578   9.0051   6.4614   0.1221   5.0071  163.725   56.731  102.904   44.982 60.82186 72.40047 
1 1 1    5   33    4 o  107.080   31.159   2.2671   2.3984   0.6446   6.5001   2.5228   2.5805  116.726   51.132   97.434   35.623 19.29162 62.31802 
1 1 1    5   33    6 o  108.750   34.639  -0.7294   3.8165   1.6526   7.9374  -1.4457   4.3527  128.975   56.500   88.525   40.088 40.45021 69.27729 
1 1 1    5   33    8 o   92.488   43.350  -3.8767   5.7565   0.0000   0.0000  -3.8767   5.7565  ?   ?    92.488   43.350      ?      ? 
1 1 1    5   33   10 o  147.567   61.246   6.5592   8.4703   6.5592   8.4703   0.0000   0.0000  147.567   61.246  ?   ?       ?      ? 
1 1 1    5   33   12 o  185.641   42.984   12.820   6.3875   1.1130   9.0006   24.698   9.0662  125.992   57.286  245.291   64.100 -119.2995 85.96835 
1 1 1    5   33   14 o  111.199   36.261  -3.0486   5.7349 -11.8422   8.2044   5.3532   8.0195   89.225   44.090  133.172   57.580 -43.94676 72.52153 
1 1 1    5   33   16 o  175.471   68.200   17.386   9.7910   0.0000   0.0000   17.386   9.7910  ?   ?   175.471   68.200      ?      ? 
1 1 1    5   33   18 o  206.983   29.418   16.283   3.3936   14.886   4.9682   17.506   4.6465  191.989   45.982  221.976   36.705 -29.98700 58.83600 
1 1 1    5   33   20 o   90.660   29.778  -1.8678   3.5567   7.1355   6.0662  -6.5844   4.3906  117.401   50.415   63.919   31.704 53.48225 59.55541 
1 1 1    5   33   22 o   83.821   27.507   0.3036   3.5490   4.4396   4.3549  -7.8749   6.1239   97.549   42.304   70.094   35.171 27.45490 55.01488 
1 1 1    5   34    1 o  199.102   37.420   13.824   5.0246   23.880   7.2324   4.4423   6.9856  263.544   49.949  134.660   55.732 128.8846 74.83994 
1 1 1    5   34    3 o  115.917   32.382   3.5178   2.9220   1.0195   6.3804   4.1809   3.2869  115.271   50.573  116.562   40.458 -1.290810 64.76483 
1 1 1    5   34    5 o  272.683   31.939   24.118   4.3650   26.693   8.1914   23.097   5.1583  272.596   54.596  272.770   33.160 -0.1735840 63.87714 
1 1 1    5   34    7 o  182.888   39.134   13.575   4.7774   7.2886   8.6201   16.362   5.7394  149.748   61.938  216.029   47.848 -66.28104 78.26701 
1 1 1    5   34    9 o  166.987   40.505   9.5183   3.8177   0.0000   0.0000   9.5183   3.8177  ?   ?   166.987   40.505      ?      ? 
1 1 1    5   34   11 f  142.133   35.685   7.7478   4.3239  -2.2714   8.4309   11.324   5.0368  110.651   52.054  173.616   48.827 -62.96554 71.37019 
1 1 1    5   34   13 o  164.626   65.941   13.934   9.4034   0.0000   0.0000   13.934   9.4034  ?   ?   164.626   65.941      ?      ? 
1 1 1    5   34   17 o   94.062   31.658  -1.4775   4.8860  -9.0754   8.4300   2.3660   5.9958   86.374   43.022  101.750   46.454 -15.37614 63.31537 
1 1 1    5   34   19 o   91.041   28.497   2.3509   2.9762   0.8367   4.3284   3.7088   4.0989   84.320   38.856   97.761   41.696 -13.44119 56.99430 
1 1 1    5   34   21 o   98.857   29.659   4.9453   2.8979   5.6298   4.2772   4.3644   3.9400  102.229   43.051   95.485   40.807 6.743782 59.31730 
1 1 1    5   35    0 o   61.062   30.302  -4.8725   5.6963  -4.8725   5.6963  -4.8725   5.6963   61.062   42.854   61.062   42.854 0.000000 0.000000 
1 1 1    5   35    2 o  138.863   35.163   4.6203   3.0772   12.126   6.6680   2.5893   3.4686  175.737   57.629  101.988   40.308 73.74875 70.32652 
1 1 1    5   35    4 o  136.062   37.642   6.0856   4.1559   6.9893   6.6864   5.5167   5.3052  141.854   55.995  130.270   50.321 11.58394 75.28390 
1 1 1    5   35    6 f  223.371   34.826   18.616   3.5895   17.290   8.1624   18.934   3.9967  199.411   63.629  247.331   28.335 -47.92036 69.65262 
1 1 1    5   35    8 f  189.718   41.507   14.937   4.7492   16.396   8.6350   14.304   5.6865  186.705   65.532  192.731   50.959 -6.026505 83.01385 
1 1 1    5   35   10 o  140.320   43.449   7.3057   3.8340   0.0000   0.0000   7.3057   3.8340  ?   ?   140.320   43.449      ?      ? 
1 1 1    5   35   12 o   86.258   39.851  -0.9224   4.5965   0.0000   0.0000  -0.9224   4.5965  ?   ?    86.258   39.851      ?      ? 
1 1 1    5   35   14 o   94.381   42.316   1.4293   4.7139   0.0000   0.0000   1.4293   4.7139  ?   ?    94.381   42.316      ?      ? 
1 1 1    5   35   16 o   92.726   31.849  -2.6356   4.7752   5.2862   8.2087  -6.6876   5.8708  110.703   51.849   74.748   37.002 35.95527 63.69829 
1 1 1    5   35   18 o   88.543   30.551  -0.2590   4.8767  -0.6479   8.4296  -0.0634   5.9788   91.127   44.966   85.958   41.370 5.169449 61.10172 
1 1 1    5   35   20 o   92.417   28.470   4.3110   3.0817  -0.4279   6.4704   5.7014   3.5048   80.939   39.834  103.895   40.686 -22.95565 56.93962 
1 1 1    5   36    1 o  203.111   38.145   17.131   5.1269   8.0652   7.3059   25.928   7.1964  143.001   57.824  263.220   49.764 -120.2188 76.28959 
1 1 1    5   36    3 o  189.011   28.495   10.064   2.9838   5.3736   3.5261   21.894   5.5995  123.583   41.938  254.440   38.590 -130.8571 56.99080 
1 1 1    5   36    5 o  128.351   35.962   4.1482   4.0695   11.526   6.6630  -0.2413   5.1395  161.713   57.485   94.990   43.228 66.72372 71.92492 
1 1 1    5   36    7 o  115.766   31.120   4.2579   3.0087   1.4926   4.1929   7.1932   4.3198   95.512   41.465  136.019   46.417 -40.50650 62.24058 
1 1 1    5   36    9 o   70.490   23.362  -4.6652   2.7178 -13.0086   4.2512   1.1019   3.5345   53.610   27.185   87.370   38.001 -33.76057 46.72323 
1 1 1    5   36   11 o  137.863   50.546   8.7264   5.2004   0.0000   0.0000   8.7264   5.2004  ?   ?   137.863   50.546      ?      ? 
1 1 1    5   36   13 o  106.667   30.316   4.6159   3.1970  -6.0096   8.3671   6.4323   3.4595   89.212   44.164  124.122   41.543 -34.91070 60.63183 
1 1 1    5   36   15 o  115.349   34.927   6.8237   5.0578  -5.3601   8.7000   13.044   6.2162   87.052   43.414  143.646   54.724 -56.59460 69.85395 
1 1 1    5   36   17 o  148.663   30.467   11.073   2.8176   9.5636   4.3869   12.132   3.6761  130.264   46.608  167.063   39.251 -36.79843 60.93381 
1 1 1    5   37    0 o  130.481   48.703   10.242   6.8399   10.242   6.8399   10.242   6.8399  130.481   68.877  130.481   68.877 -0.000000 0.000000 
1 1 1    5   37    2 o  149.744   40.867   10.878   4.9789   9.0256   6.9108   12.876   7.1794  139.355   56.278  160.133   59.274 -20.77809 81.73489 
1 1 1    5   37    4 o   72.352   24.346  -3.3714   2.7602  -5.6274   3.7500  -0.7041   4.0776   62.401   30.634   82.303   37.847 -19.90211 48.69129 
1 1 1    5   37    6 o  164.909   31.209   11.052   2.8601   10.517   5.5121   11.250   3.3457  150.403   52.382  179.415   33.942 -29.01172 62.41794 
1 1 1    5   37    8 o  173.717   46.675   12.777   4.7228   0.0000   0.0000   12.777   4.7228  ?   ?   173.717   46.675      ?      ? 
1 1 1    5   37   10 o   96.877   43.600   2.4229   5.0570   0.0000   0.0000   2.4229   5.0570  ?   ?    96.877   43.600      ?      ? 
1 1 1    5   37   12 o   80.147   38.051  -0.8735   4.7017   0.0000   0.0000  -0.8735   4.7017  ?   ?    80.147   38.051      ?      ? 
1 1 1    5   37   14 o   82.027   28.108   0.2627   2.9050   1.2848   8.4650   0.1262   3.0928   92.674   45.600   71.380   32.875 21.29346 56.21500 
1 1 1    5   37   16 o   77.507   27.253  -2.6514   4.7446  -7.2123   8.1322  -0.2977   5.8420   75.564   38.238   79.451   38.842 -3.886749 54.50584 
1 1 1    5   38    1 o   75.836   26.187  -6.3549   3.8205 -12.4713   5.5209  -0.7344   5.2924   64.026   32.291   87.646   41.235 -23.61938 52.37409 
1 1 1    5   38    3 o   92.774   29.117   1.8013   3.1621  -3.0938   6.3063   3.4453   3.6547   86.154   41.715   99.393   40.633 -13.23919 58.23390 
1 1 1    5   38    5 o   84.775   27.644   0.6083   2.8368  -2.1756   6.2396   1.3337   3.1850   87.015   41.975   82.536   35.983 4.479485 55.28728 
1 1 1    5   38    7 o   75.638   36.682  -3.2232   4.9269   0.0000   0.0000  -3.2232   4.9269  ?   ?    75.638   36.682      ?      ? 
1 1 1    5   38    9 o  191.404   53.653   19.565   6.0921   0.0000   0.0000   19.565   6.0921  ?   ?   191.404   53.653      ?      ? 
1 1 1    5   38   11 o  141.742   37.361   13.617   4.1367   16.212   8.8908   12.900   4.6734  126.793   57.367  156.691   47.880 -29.89783 74.72253 
1 1 1    5   38   13 f   77.990   37.294   0.2946   4.6853   0.0000   0.0000   0.2946   4.6853  ?   ?    77.990   37.294      ?      ? 
1 1 1    5   39    0 o   54.198   27.415  -5.0528   5.4996  -5.0528   5.4996  -5.0528   5.4996   54.198   38.770   54.198   38.770 -0.000000 0.000000 
1 1 1    5   39    2 o   86.293   29.090  -0.3451   3.8335   2.9923   6.0856  -2.5407   4.9359   96.661   45.065   75.925   36.797 20.73591 58.17948 
1 1 1    5   39    4 o  108.751   31.603   5.9738   3.1616   4.6262   6.6144   6.3729   3.5994  101.176   47.107  116.325   42.142 -15.14882 63.20651 
1 1 1    5   39    6 o   97.199   44.045   4.2000   5.2645   0.0000   0.0000   4.2000   5.2645  ?   ?    97.199   44.045      ?      ? 
1 1 1    5   39    8 o  124.938   32.649   10.501   3.9872   2.2945   7.8076   13.397   4.6376   91.481   44.762  158.394   47.541 -66.91256 65.29758 
1 1 1    5   39   10 o   91.635   30.471   4.1775   3.8614   4.6905   8.0932   4.0262   4.3938   92.341   45.265   90.929   40.805 1.411629 60.94198 
1 1 1    5   40    1 o  129.289   36.074   12.636   4.2051   10.540   6.8886   13.881   5.3091  112.171   50.646  146.407   51.385 -34.23668 72.14897 
1 1 1    5   40    3 o   73.595   36.041  -2.0372   5.0935   0.0000   0.0000  -2.0372   5.0935  ?   ?    73.595   36.041      ?      ? 
1 1 1    5   40    5 o  127.850   51.432   12.752   5.7478   0.0000   0.0000   12.752   5.7478  ?   ?   127.850   51.432      ?      ? 
1 1 1    6    0    0 o  3205.34   29.200  2933.57   75.459  2933.57   75.459  2933.57   75.459  3205.34   41.296  3205.34   41.296 0.000000 0.000000 
1 1 1    6    0    2 o   72.865   24.098   2.2162   1.5819   2.2162   1.5819   2.2162   1.5819   72.865   34.080   72.865   34.080 -0.000000 0.000000 
1 1 1    6    0    4 o  725.332   21.410  150.932   12.475  150.932   12.475  150.932   12.475  725.332   30.278  725.332   30.278 -0.000000 0.000000 
1 1 1    6    0    6 o  511.839   9.6770   74.876   3.9882   74.876   3.9882   74.876   3.9882  511.839   13.685  511.839   13.685 -0.000000 0.000000 
1 1 1    6    0   10 o  1007.45   12.379  289.823   10.051  289.823   10.051  289.823   10.051  1007.45   17.507  1007.45   17.507 -0.000000 0.000000 
1 1 1    6    0   12 o  2230.95   14.339  1421.13   25.795  1421.13   25.795  1421.13   25.795  2230.95   20.279  2230.95   20.279 -0.000000 0.000000 
1 1 1    6    0   14 o  224.734   14.856   14.800   2.6385   14.800   2.6385   14.800   2.6385  224.734   21.009  224.734   21.009 0.000000 0.000000 
1 1 1    6    0   16 o  267.546   12.092   20.689   2.5847   20.689   2.5847   20.689   2.5847  267.546   17.100  267.546   17.100 0.000000 0.000000 
1 1 1    6    0   18 o   58.082   23.141   1.2811   1.6518   1.2811   1.6518   1.2811   1.6518   58.082   32.726   58.082   32.726 0.000000 0.000000 
1 1 1    6    0   20 f  367.843   10.662   38.808   3.1511   38.808   3.1511   38.808   3.1511  367.843   15.079  367.843   15.079 0.000000 0.000000 
1 1 1    6    0   22 o  449.852   13.030   58.055   4.7094   58.055   4.7094   58.055   4.7094  449.852   18.427  449.852   18.427 -0.000000 0.000000 
1 1 1    6    0   24 o  626.236   16.101  112.485   8.1077  112.485   8.1077  112.485   8.1077  626.236   22.770  626.236   22.770 -0.000000 0.000000 
1 1 1    6    0   26 o  138.696   28.293   6.7272   2.7452   6.7272   2.7452   6.7272   2.7452  138.696   40.012  138.696   40.012 -0.000000 0.000000 
1 1 1    6    0   28 o  164.199   35.174   9.6536   4.0645   9.6536   4.0645   9.6536   4.0645  164.199   49.744  164.199   49.744 -0.000000 0.000000 
1 1 1    6    0   30 o  218.133   30.792   15.349   4.8079   15.349   4.8079   15.349   4.8079  218.133   43.546  218.133   43.546 0.000000 0.000000 
1 1 1    6    0   32 o   62.656   29.565  -1.0541   4.0793  -1.0541   4.0793  -1.0541   4.0793   62.656   41.812   62.656   41.812 -0.000000 0.000000 
1 1 1    6    0   34 f   66.002   30.636  -0.1490   4.0975  -0.1490   4.0975  -0.1490   4.0975   66.002   43.326   66.002   43.326 0.000000 0.000000 
1 1 1    6    0   36 o   75.625   35.494   0.1756   5.7460   0.1756   5.7460   0.1756   5.7460   75.625   50.196   75.625   50.196 0.000000 0.000000 
1 1 1    6    0   38 f  101.114   38.640   5.9187   4.3958   5.9187   4.3958   5.9187   4.3958  101.114   54.645  101.114   54.645 0.000000 0.000000 
1 1 1    6    0   40 o   61.381   29.252   0.7646   4.1770   0.7646   4.1770   0.7646   4.1770   61.381   41.369   61.381   41.369 -0.000000 0.000000 
1 1 1    6    1    1 o  755.923   13.647  163.551   5.7578  165.524   7.4401  160.605   9.0913  761.683   17.128  750.162   21.251 11.52100 27.29431 
1 1 1    6    1    3 o  1004.92   30.521  288.483   17.491   0.0000   0.0000  288.483   17.491  ?   ?   1004.92   30.521      ?      ? 
1 1 1    6    1    5 o  1615.40   20.176  750.364   17.462  760.393   21.389  730.317   30.240  1632.15   22.979  1598.64   33.169 33.51013 40.35171 
1 1 1    6    1    7 o  1185.45   31.266  401.571   21.137   0.0000   0.0000  401.571   21.137  ?   ?   1185.45   31.266      ?      ? 
1 1 1    6    1    9 o  138.596   22.362   5.7148   1.7284   5.8399   2.4213   5.5847   2.4679  140.181   31.101  137.012   32.140 3.169342 44.72453 
1 1 1    6    1   11 o  1668.43   11.411  794.651   10.857  798.819   15.358  790.488   15.351  1672.81   16.099  1664.05   16.176 8.755371 22.82165 
1 1 1    6    1   13 o  806.615   13.174  185.119   5.7676  183.249   7.1178  188.696   9.8421  800.994   15.582  812.235   21.248 -11.24170 26.34893 
1 1 1    6    1   15 o  581.429   8.8687   96.372   2.9255   98.138   4.3825   94.952   3.9292  586.185   13.110  576.673   11.948 9.512756 17.73733 
1 1 1    6    1   17 o  184.103   12.795   9.8261   1.3106   9.0482   2.0484   10.365   1.7053  177.779   20.204  190.428   15.703 -12.64932 25.58909 
1 1 1    6    1   19 o  706.318   13.060  142.640   5.2607  143.566   7.4720  141.729   7.4079  708.589   18.491  704.047   18.450 4.542480 26.12099 
1 1 1    6    1   21 o  924.715   12.445  244.155   6.5273  245.877   9.7666  242.765   8.7748  927.566   18.463  921.864   16.691 5.701843 24.88905 
1 1 1    6    1   23 o  938.744   11.979  252.163   6.3913  246.425   9.3726  257.151   8.7381  928.664   17.697  948.824   16.149 -20.15997 23.95775 
1 1 1    6    1   25 o  160.900   28.809   7.8965   2.6881   5.8568   3.9643   9.6325   3.6573  142.318   44.200  179.482   36.962 -37.16418 57.61775 
1 1 1    6    1   27 o  257.023   19.428   19.417   2.7782   21.295   3.6690   16.893   4.2533  272.231   23.633  241.816   30.843 30.41518 38.85592 
1 1 1    6    1   29 o  387.166   15.177   42.234   3.2158   40.042   3.9740   46.391   5.4736  373.377   18.663  400.956   23.938 -27.57962 30.35351 
1 1 1    6    1   31 o  116.229   29.815   3.3042   2.6980   5.3158   3.6323   0.8284   4.0297  132.772   42.454   99.686   41.873 33.08618 59.62945 
1 1 1    6    1   33 o  179.395   30.810   9.9095   3.2667   16.583   5.1243   5.3406   4.2400  227.142   41.071  131.648   45.937 95.49475 61.61953 
1 1 1    6    1   35 o  124.906   31.974   3.5584   3.6763  -4.4621   5.5947   9.6529   4.8769   87.119   41.403  162.693   48.735 -75.57430 63.94746 
1 1 1    6    1   37 o   94.440   31.759  -1.9755   4.5305  -3.3900   7.7101  -1.2295   5.5990   97.334   46.879   91.546   42.859 5.787216 63.51767 
1 1 1    6    1   39 o  100.181   29.827   3.3418   3.1480  -0.7389   4.3069   8.0226   4.6128   77.385   36.646  122.977   47.071 -45.59195 59.65445 
1 1 1    6    2    0 o  807.039   21.238  186.650   13.780  186.650   13.780  186.650   13.780  807.039   30.035  807.039   30.035 0.000000 0.000000 
1 1 1    6    2    2 o  168.739   14.801   8.2885   1.3853   8.9661   1.8086   7.3267   2.1548  177.269   17.890  160.208   23.585 17.06079 29.60214 
1 1 1    6    2    4 o  695.924   29.992  138.342   11.903   0.0000   0.0000  138.342   11.903  ?   ?   695.924   29.992      ?      ? 
1 1 1    6    2    6 o  1536.80   19.754  670.899   16.355  685.606   28.361  663.572   20.019  1548.95   32.107  1524.66   23.023 24.29541 39.50827 
1 1 1    6    2   10 o  1631.46   13.005  759.873   12.100  754.100   17.098  765.666   17.126  1625.24   18.447  1637.67   18.337 -12.42798 26.01061 
1 1 1    6    2   12 o  1260.78   12.924  454.030   9.2856  452.112   12.881  456.104   13.398  1258.05   17.954  1263.51   18.594 -5.458374 25.84703 
1 1 1    6    2   14 o  115.396   19.498   3.9660   1.2661   4.2794   1.8255   3.6755   1.7574  119.772   27.330  111.020   27.815 8.752113 38.99509 
1 1 1    6    2   16 o  439.296   7.8866   55.124   1.9739   52.267   2.7874   57.998   2.7957  427.858   11.424  450.733   10.876 -22.87540 15.77315 
1 1 1    6    2   18 o  576.464   10.581   94.813   3.4688   96.669   5.1203   93.239   4.7158  581.635   15.437  571.294   14.474 10.34076 21.16120 
1 1 1    6    2   20 o  232.514   10.858   15.423   1.4324   13.386   1.9833   17.644   2.0710  216.465   16.066  248.564   14.610 -32.09801 21.71526 
1 1 1    6    2   22 o  952.642   12.838  259.172   6.9729  252.131   9.7351  266.591   9.9921  939.359   18.173  965.924   18.139 -26.56537 25.67643 
1 1 1    6    2   24 o  439.647   16.931   55.470   4.2347   51.456   6.0217   59.398   5.9565  423.797   24.916  455.496   22.930 -31.69891 33.86133 
1 1 1    6    2   26 o  110.924   23.356   2.9746   1.9636   6.4811   2.6682  -1.1689   2.9004  147.042   32.667   74.808   33.391 72.23389 46.71279 
1 1 1    6    2   28 o  146.389   28.883   6.5633   2.5673   8.1513   3.4373   4.5597   3.8610  163.967   37.566  128.810   43.883 35.15730 57.76598 
1 1 1    6    2   30 o  120.742   30.656   3.3187   2.9449   6.2021   3.9583  -0.2558   4.4072  143.238   44.114   98.245   42.582 44.99277 61.31277 
1 1 1    6    2   32 o   95.770   29.136  -0.2208   2.9743   2.0234   4.1946  -2.4904   4.2182  107.771   43.732   83.770   38.512 24.00040 58.27186 
1 1 1    6    2   34 o   89.715   27.878  -3.0118   3.1804   3.2310   4.4342  -9.6258   4.5641  114.336   45.452   65.093   32.293 49.24255 55.75563 
1 1 1    6    2   36 o  104.585   31.258   2.4482   3.2078   2.3515   4.5710   2.5420   4.5029  104.220   44.229  104.951   44.183 -0.7309952 62.51701 
1 1 1    6    2   38 o  121.464   34.965   7.0485   4.3028   10.117   5.2773   0.9634   7.4313  142.479   51.105  100.449   47.732 42.03026 69.92916 
1 1 1    6    2   40 o   77.706   25.777   0.7980   2.9000  -0.1741   4.1090   1.7627   4.0935   74.107   35.294   81.304   37.578 -7.196716 51.55405 
1 1 1    6    3    1 f  1390.69   15.777  552.013   12.512  549.580   17.692  554.449   17.699  1387.62   22.356  1393.76   22.267 -6.138672 31.55357 
1 1 1    6    3    3 o  306.739   11.156   26.159   1.4131   25.861   1.5332   27.842   3.6423  301.130   8.9282  312.347   20.448 -11.21661 22.31202 
1 1 1    6    3    5 o  1339.67   14.362  511.228   10.749  507.499   13.849  516.878   17.048  1333.64   18.209  1345.69   22.215 -12.04590 28.72381 
1 1 1    6    3    9 o  489.343   11.275   67.476   2.5918   66.835   2.9214   69.849   5.6172  484.055   10.583  494.632   19.913 -10.57721 22.55083 
1 1 1    6    3   11 o  1332.95   12.849  507.424   9.7674  505.985   13.816  508.862   13.811  1331.06   18.201  1334.84   18.142 -3.786255 25.69837 
1 1 1    6    3   13 o  358.537   6.5783   36.879   1.3250   35.450   2.0373   37.927   1.7443  352.464   10.136  364.610   8.3886 -12.14670 13.15669 
1 1 1    6    3   15 o  653.710   11.016  121.027   4.0041  127.038   6.4918  117.336   5.0871  666.538   17.078  640.882   13.919 25.65521 22.03184 
1 1 1    6    3   17 o  502.290   11.724   72.372   3.2162   72.981   4.0172   71.284   5.3674  505.437   13.937  499.142   18.856 6.295074 23.44733 
1 1 1    6    3   19 o  718.869   10.510  147.177   4.2977  153.402   6.3551  141.931   5.8341  732.806   15.207  704.933   14.512 27.87311 21.02030 
1 1 1    6    3   21 o  358.354   12.035   36.825   2.4000   36.039   3.8180   37.338   3.0859  355.105   18.853  361.603   14.964 -6.498474 24.07017 
1 1 1    6    3   23 o  320.276   17.770   27.287   2.9920   34.830   5.6788   24.389   3.5202  348.536   28.571  292.017   21.138 56.51904 35.54013 
1 1 1    6    3   25 o  638.031   12.890  116.291   4.6145  115.617   6.0026  117.265   7.2153  635.948   16.551  640.114   19.765 -4.165710 25.77998 
1 1 1    6    3   27 o  263.869   22.214   22.533   2.8954   28.267   3.7196   13.716   4.6124  313.898   20.779  213.841   39.269 100.0570 44.42735 
1 1 1    6    3   29 o  201.704   26.067   12.159   2.9039   11.926   4.4033   12.339   3.8631  197.762   40.408  205.646   32.940 -7.883438 52.13308 
1 1 1    6    3   31 o  133.365   33.833   4.9566   3.2577   5.2018   4.3065   4.6287   4.9808  133.963   46.321  132.767   49.325 1.196014 67.66555 
1 1 1    6    3   33 o   96.652   27.244   1.4292   2.3743  -0.5876   3.3407   3.4879   3.3751   81.607   36.164  111.697   40.756 -30.09019 54.48740 
1 1 1    6    3   35 o  111.134   33.866   1.8767   3.8656   3.4225   5.9133   0.7231   5.1082  120.122   50.604  102.145   45.019 17.97706 67.73114 
1 1 1    6    3   37 o   82.744   25.509   0.1217   2.4679  -3.3953   3.7860   2.7204   3.2544   69.327   33.250   96.160   38.695 -26.83264 51.01779 
1 1 1    6    3   39 o  117.866   35.418   8.5603   5.0697   13.855   6.2030  -2.0923   8.7985  145.336   54.834   90.396   44.844 54.93999 70.83665 
1 1 1    6    4    0 o  915.285   15.064  239.372   11.106  239.372   11.106  239.372   11.106  915.285   21.304  915.285   21.304 -0.000000 0.000000 
1 1 1    6    4    2 o  912.396   15.056  237.617   7.8322  231.581   11.072  243.663   11.081  900.786   21.553  924.005   21.029 -23.21936 30.11210 
1 1 1    6    4    4 o  926.785   15.049  245.144   7.9539  246.407   11.249  243.881   11.248  929.175   21.229  924.396   21.337 4.779297 30.09849 
1 1 1    6    4    6 o  1704.83   19.814  824.745   18.175  813.935   22.206  846.682   31.632  1688.51   23.060  1721.16   32.227 -32.65002 39.62747 
1 1 1    6    4   10 o  1880.43   19.282  1009.76   20.678   0.0000   0.0000  1009.76   20.678  ?   ?   1880.43   19.282      ?      ? 
1 1 1    6    4   12 o  518.024   9.3996   75.966   2.6993   73.978   3.4148   79.276   4.4070  509.132   11.761  526.918   14.666 -17.78619 18.79919 
1 1 1    6    4   14 o  307.179   9.5565   26.792   1.5744   27.411   2.7555   26.492   1.9183  309.716   15.601  304.643   11.042 5.072540 19.11294 
1 1 1    6    4   16 o  708.302   11.827  144.025   4.7192  139.610   7.2019  147.348   6.2473  698.585   18.077  718.019   15.257 -19.43463 23.65496 
1 1 1    6    4   18 o  218.084   12.161   13.666   1.4900   14.026   1.9608   13.174   2.2920  221.553   15.519  214.615   18.727 6.937073 24.32182 
1 1 1    6    4   20 o  526.514   10.517   79.492   3.0812   77.663   4.9011   80.688   3.9621  521.393   16.483  531.636   13.068 -10.24286 21.03484 
1 1 1    6    4   22 o  605.927   10.682  105.563   3.5620  102.039   5.8127  107.681   4.5074  597.655   17.054  614.200   12.868 -16.54541 21.36467 
1 1 1    6    4   24 o  491.635   24.652   69.575   6.9110   68.292   9.7023   70.897   9.8466  487.024   34.933  496.246   34.793 -9.222107 49.30377 
1 1 1    6    4   26 o  316.262   16.507   28.749   2.9715   27.932   4.3004   29.496   4.1106  311.879   24.178  320.644   22.480 -8.764679 33.01418 
1 1 1    6    4   28 o  224.132   23.034   14.565   2.9099   14.370   3.8240   14.832   4.4851  222.667   30.114  225.596   34.862 -2.929535 46.06742 
1 1 1    6    4   30 o  117.636   30.779   2.4543   3.0013   6.1827   4.3291  -0.9963   4.1647  143.791   46.387   91.482   40.467 52.30917 61.55781 
1 1 1    6    4   32 o  120.822   25.746   2.9081   2.7339  -5.7439   4.2372   9.0785   3.5783   72.219   34.775  169.424   37.974 -97.20592 51.49128 
1 1 1    6    4   34 o  161.919   35.143   9.1212   3.8087   5.0481   5.4033   13.143   5.3695  130.424   50.672  193.414   48.708 -62.98997 70.28587 
1 1 1    6    4   36 o   91.845   29.244   0.0610   3.2065   0.6105   4.1885  -0.7169   4.9837   91.781   40.592   91.910   42.108 -0.1284866 58.48778 
1 1 1    6    4   38 o  105.308   31.914   4.0331   3.4200   6.1604   5.1766   2.3853   4.5559  115.614   47.923   95.002   42.160 20.61192 63.82888 
1 1 1    6    4   40 o   94.769   30.617   2.7435   3.5389  -1.9064   4.3477   11.874   6.0922   69.585   33.907  119.952   50.989 -50.36753 61.23429 
1 1 1    6    5    1 o  528.348   14.712   79.670   4.4325   78.789   6.2740   80.549   6.2631  525.428   20.938  531.268   20.672 -5.840332 29.42352 
1 1 1    6    5    3 o  2522.07   18.500  1816.37   26.607  1790.05   37.625  1842.69   37.631  2503.77   26.351  2540.37   25.975 -36.59595 37.00073 
1 1 1    6    5    5 o  1134.23   15.267  367.212   9.8750  368.463   13.970  365.962   13.961  1136.17   21.560  1132.30   21.620 3.864746 30.53330 
1 1 1    6    5    9 f  1420.32   19.609  584.672   14.948  600.946   18.413  553.218   25.598  1450.41   22.261  1390.23   32.287 60.18201 39.21754 
1 1 1    6    5   11 o  498.889   10.921   71.093   2.9463   71.156   3.6311   70.971   5.0410  499.318   12.752  498.461   17.733 0.8576050 21.84208 
1 1 1    6    5   13 o  338.978   12.610   32.868   2.4361   31.685   3.4583   34.034   3.4323  332.897   18.216  345.059   17.442 -12.16199 25.22026 
1 1 1    6    5   15 o  225.821   10.274   14.688   1.3125   13.043   1.9019   16.184   1.8137  213.615   15.612  238.028   13.361 -24.41254 20.54861 
1 1 1    6    5   17 o  564.917   8.9450   90.980   2.8407   90.243   3.7098   92.026   4.4169  562.221   11.570  567.613   13.645 -5.391541 17.89005 
1 1 1    6    5   19 o  565.194   11.106   91.259   3.5781   87.647   5.0359   94.941   5.0849  553.885   15.943  576.503   15.466 -22.61792 22.21206 
1 1 1    6    5   21 o  303.464   10.905   26.241   1.8852   24.885   2.5971   27.751   2.7408  295.196   15.427  311.731   15.417 -16.53525 21.81049 
1 1 1    6    5   23 o  266.445   18.472   20.032   2.7580   15.341   3.6805   26.040   4.1650  231.317   27.900  301.572   24.218 -70.25461 36.94458 
1 1 1    6    5   25 o  520.959   16.729   78.774   4.6899   74.872   7.9957   80.820   5.7907  510.500   27.464  531.418   19.107 -20.91837 33.45720 
1 1 1    6    5   27 o  436.045   13.286   54.495   3.2560   54.516   5.0518   54.481   4.2585  435.923   20.321  436.166   17.120 -0.2427979 26.57141 
1 1 1    6    5   29 o  240.242   21.740   16.577   2.9517   15.180   3.8707   18.517   4.5630  228.484   29.705  252.000   31.751 -23.51576 43.48006 
1 1 1    6    5   31 o  110.824   26.656   2.9375   2.4470  -2.5804   4.0652   6.0729   3.0644   82.065   37.757  139.582   37.637 -57.51675 53.31169 
1 1 1    6    5   33 o   82.436   27.004  -2.9819   2.9970  -4.5022   3.9829  -0.9976   4.5504   72.325   34.529   92.548   41.529 -20.22328 54.00832 
1 1 1    6    5   35 o  110.182   29.520   1.6308   3.1228  -4.5251   4.4517   7.5949   4.3817   75.512   36.173  144.852   46.662 -69.33978 59.04067 
1 1 1    6    5   37 o  106.383   30.079   3.4826   3.0555  -0.4424   4.6923   6.3722   4.0261   87.219   40.284  125.547   44.679 -38.32762 60.15851 
1 1 1    6    5   39 o   99.331   31.871   1.5601   3.4246  -2.2330   3.9736   12.512   6.7520   69.244   33.426  129.418   54.273 -60.17436 63.74100 
1 1 1    6    6    0 o  2342.87   17.986  1566.75   33.977  1566.75   33.977  1566.75   33.977  2342.87   25.436  2342.87   25.436 0.000000 0.000000 
1 1 1    6    6    2 o  2285.70   17.834  1491.70   23.247  1499.64   32.877  1483.77   32.875  2291.78   25.155  2279.61   25.288 12.17114 35.66832 
1 1 1    6    6    4 o  421.032   14.504   50.620   3.4801   48.423   4.9231   52.814   4.9200  411.887   20.959  430.177   20.055 -18.29044 29.00856 
1 1 1    6    6    6 o  1406.00   22.065  564.395   17.692   0.0000   0.0000  564.395   17.692  ?   ?   1406.00   22.065      ?      ? 
1 1 1    6    6    8 o  856.101   21.547  209.322   10.520  209.322   10.520   0.0000   0.0000  856.101   21.547  ?   ?       ?      ? 
1 1 1    6    6   10 o  1282.05   14.198  467.032   10.181  482.715   16.171  456.732   13.105  1299.54   21.820  1264.55   18.172 34.99243 28.39611 
1 1 1    6    6   12 o  701.659   13.340  139.344   5.0260  144.933   8.8094  136.647   6.1197  711.683   21.705  691.635   15.515 20.04816 26.68032 
1 1 1    6    6   14 o  563.949   11.281   90.765   3.5313   90.288   4.4987   91.531   5.6997  562.178   14.032  565.720   17.667 -3.542053 22.56132 
1 1 1    6    6   16 o  188.798   12.993   10.015   1.3825   9.0758   1.7949   11.384   2.1676  178.136   17.669  199.460   19.056 -21.32323 25.98638 
1 1 1    6    6   18 o  526.107   10.514   78.968   3.1273   78.328   4.1496   79.809   4.7577  523.703   13.894  528.511   15.785 -4.807251 21.02898 
1 1 1    6    6   20 o  356.725   10.919   37.284   2.1160   33.028   3.4658   39.814   2.6717  339.978   17.876  373.472   12.544 -33.49448 21.83798 
1 1 1    6    6   22 o  1062.41   13.088  322.576   7.9244  306.933   11.143  338.584   11.272  1036.30   18.855  1088.51   18.158 -52.21301 26.17659 
1 1 1    6    6   24 o  215.923   31.435   15.072   3.3551   16.553   3.9164   10.985   6.5040  240.096   28.603  191.750   55.986 48.34604 62.86960 
1 1 1    6    6   26 o  267.407   18.779   20.575   2.8635   20.177   4.0236   20.984   4.0762  264.777   26.647  270.036   26.469 -5.258423 37.55879 
1 1 1    6    6   28 o  378.364   17.194   42.808   3.5192   47.079   4.4731   35.870   5.7013  404.838   19.374  351.890   28.410 52.94800 34.38743 
1 1 1    6    6   30 o  119.691   29.217   3.8592   2.5846   1.1477   4.0028   5.7981   3.3849  101.811   42.167  137.571   40.453 -35.76038 58.43323 
1 1 1    6    6   32 o  105.410   30.712   1.0248   3.1065   3.9260   4.5528  -1.5027   4.2495  122.803   46.822   88.017   39.756 34.78651 61.42338 
1 1 1    6    6   34 o  151.784   32.604   8.0631   3.0841   7.3278   4.5460   8.6901   4.1980  145.188   47.583  158.381   44.588 -13.19357 65.20872 
1 1 1    6    6   36 o  104.366   31.020   2.6164   3.0742   4.0537   4.8766   1.6685   3.9602  113.633   46.751   95.098   40.783 18.53459 62.03978 
1 1 1    6    6   38 o   83.636   27.436   0.1813   3.0213  -0.4127   3.8190   1.1749   4.9393   77.319   35.931   89.953   41.472 -12.63488 54.87183 
1 1 1    6    7    1 o  1756.40   16.501  880.742   16.527  871.327   23.370  890.163   23.377  1747.00   23.457  1765.81   23.214 -18.80444 33.00167 
1 1 1    6    7    3 o  2235.46   17.706  1427.09   22.572  1411.89   31.917  1442.30   31.925  2223.53   25.170  2247.39   24.909 -23.85522 35.41204 
1 1 1    6    7    5 o  1552.57   15.983  688.266   14.152  687.172   20.013  689.359   20.014  1551.33   22.621  1553.80   22.586 -2.469727 31.96632 
1 1 1    6    7    9 o  1943.06   34.357  1082.64   38.071  1082.64   38.071   0.0000   0.0000  1943.06   34.357  ?   ?       ?      ? 
1 1 1    6    7   11 o  563.296   12.291   88.565   3.2802   94.462   7.0738   86.950   3.7023  574.647   21.585  551.946   11.762 22.70099 24.58190 
1 1 1    6    7   13 o  225.941   10.033   14.343   1.2806   12.885   1.6762   16.387   1.9846  212.389   13.839  239.494   14.531 -27.10493 20.06650 
1 1 1    6    7   15 o  500.195   10.007   71.219   2.7839   72.671   4.4827   70.308   3.5520  504.222   15.589  496.169   12.553 8.052704 20.01494 
1 1 1    6    7   17 o  639.182   11.230  115.583   3.9359  112.624   4.9008  120.960   6.6056  627.954   13.685  650.411   17.809 -22.45605 22.45965 
1 1 1    6    7   19 o  232.754   13.108   15.569   1.7108   15.977   2.2412   15.000   2.6483  236.480   16.619  229.029   20.276 7.450607 26.21601 
1 1 1    6    7   21 o  561.463   11.960   90.379   3.6450   88.970   6.1649   91.137   4.5197  557.928   19.375  564.998   14.027 -7.069275 23.92002 
1 1 1    6    7   23 o  547.069   11.848   82.837   3.3192   79.635   3.8773   91.623   6.4215  528.136   12.873  566.002   19.894 -37.86597 23.69588 
1 1 1    6    7   25 o  415.959   21.729   48.148   5.0654   39.727   6.5033   61.136   8.0766  371.307   30.712  460.611   30.747 -89.30338 43.45802 
1 1 1    6    7   27 o  455.884   14.855   59.690   3.8618   60.617   5.4612   58.762   5.4617  459.451   20.843  452.316   21.174 7.134888 29.71083 
1 1 1    6    7   29 o  177.245   28.527   10.285   3.0110   4.4801   4.6370   14.517   3.9592  131.555   47.806  222.934   31.141 -91.37894 57.05422 
1 1 1    6    7   31 o  100.417   28.930   0.6527   2.8553  -2.9717   4.1950   3.7812   3.8975   81.734   37.870  119.099   43.744 -37.36514 57.85917 
1 1 1    6    7   33 o  144.468   30.134   6.9230   2.6525   7.2736   3.8244   6.5980   3.6820  147.719   42.874  141.217   42.355 6.502274 60.26770 
1 1 1    6    7   35 o  105.231   27.618   3.0606   2.5457  -1.7081   4.3597   5.5276   3.1357   83.966   38.799  126.497   39.315 -42.53098 55.23587 
1 1 1    6    7   37 o   78.544   26.510  -2.6399   3.3194  -3.0881   4.7326  -2.2059   4.6570   77.467   37.159   79.621   37.821 -2.153244 53.02086 
1 1 1    6    7   39 o   97.752   28.289   4.4964   2.5806   3.0004   4.6354   5.1683   3.1065   89.964   40.985  105.540   39.005 -15.57567 56.57857 
1 1 1    6    8    0 o  3024.34   20.027  2611.36   48.839  2611.36   48.839  2611.36   48.839  3024.34   28.322  3024.34   28.322 -0.000000 0.000000 
1 1 1    6    8    2 o  1515.57   15.968  655.803   13.801  653.576   19.519  658.030   19.518  1512.99   22.621  1518.14   22.543 -5.153809 31.93630 
1 1 1    6    8    4 o  623.444   14.660  110.965   5.2121  112.250   7.3779  109.686   7.3642  627.049   20.632  619.840   20.833 7.208496 29.32057 
1 1 1    6    8    6 o  924.767   21.111  244.618   11.133  246.183   15.734  243.049   15.755  927.740   29.739  921.795   29.970 5.945374 42.22128 
1 1 1    6    8    8 o  930.741   21.696  248.137   11.513  242.684   16.297  253.571   16.268  920.482   31.045  941.000   30.315 -20.51764 43.39122 
1 1 1    6    8   10 o  775.911   18.894  174.919   7.8615  179.989   9.6802  165.095   13.473  793.310   21.397  758.513   31.147 34.79700 37.78830 
1 1 1    6    8   12 o  287.198   9.5315   23.483   1.5562   22.683   2.1051   24.447   2.3110  281.834   13.097  292.561   13.852 -10.72760 19.06306 
1 1 1    6    8   14 o  497.649   8.1605   70.965   2.2963   72.827   3.0775   68.626   3.4492  505.087   10.684  490.210   12.338 14.87683 16.32093 
1 1 1    6    8   16 o  187.361   14.279   10.056   1.5240   9.5696   2.1636   10.536   2.1470  182.836   20.751  191.885   19.620 -9.048920 28.55774 
1 1 1    6    8   18 o  407.538   10.087   47.607   2.3299   49.239   3.1581   45.657   3.4513  415.271   13.335  399.804   15.137 15.46683 20.17334 
1 1 1    6    8   20 o   96.913   21.285   2.6327   1.3306   3.4394   1.8764   1.8167   1.8872  107.859   29.606   85.966   30.589 21.89237 42.57061 
1 1 1    6    8   22 o  641.989   13.461  117.818   4.9277  115.707   6.9529  119.947   6.9848  636.202   19.164  647.776   18.908 -11.57379 26.92110 
1 1 1    6    8   24 o  106.829   28.235   2.5036   2.2457   2.5270   2.7977   2.4613   3.7656  102.621   37.157  111.037   42.523 -8.416161 56.47017 
1 1 1    6    8   26 o  276.178   24.844   21.537   3.8548   17.378   5.0305   27.453   5.9995  244.620   36.060  307.737   34.185 -63.11681 49.68892 
1 1 1    6    8   28 o  268.126   21.261   21.477   3.1211   18.476   4.9598   23.445   4.0160  251.359   34.600  284.892   24.718 -33.53339 42.52230 
1 1 1    6    8   30 o  136.897   31.625   5.1515   2.8620   8.0262   4.5535   3.2744   3.6796  159.492   46.925  114.303   42.410 45.18824 63.24988 
1 1 1    6    8   32 o  157.938   31.697   8.3302   3.1471   5.0942   4.6221   11.127   4.2971  130.997   47.709  184.878   41.745 -53.88020 63.39421 
1 1 1    6    8   34 o   86.273   27.218  -0.5706   2.7548  -1.8709   3.9201   0.6980   3.8721   80.089   36.931   92.458   39.993 -12.36846 54.43679 
1 1 1    6    8   36 o   77.034   25.938  -3.6189   3.0148  -0.2254   4.8308  -5.7837   3.8584   90.610   41.492   63.459   31.137 27.15196 51.87580 
1 1 1    6    8   38 o   99.194   30.770   3.8824   3.3117   4.2187   5.1068   3.6383   4.3505  100.996   44.737   97.391   42.259 3.604523 61.54068 
1 1 1    6    9    1 o  1721.46   16.432  846.321   16.132  840.906   22.810  851.739   22.817  1715.94   23.310  1726.97   23.167 -11.03369 32.86436 
1 1 1    6    9    3 o  1979.00   17.026  1118.77   19.216  1120.57   27.177  1116.97   27.174  1980.60   24.061  1977.41   24.097 3.187500 34.05267 
1 1 1    6    9    5 o  1417.13   22.254  574.752   17.985  568.570   25.422  580.946   25.446  1409.47   31.628  1424.78   31.316 -15.30896 44.50877 
1 1 1    6    9    7 o  917.655   30.526  241.198   15.975   0.0000   0.0000  241.198   15.975  ?   ?   917.655   30.526      ?      ? 
1 1 1    6    9    9 o  1632.39   23.311  765.182   21.698  780.876   30.734  749.587   30.637  1649.18   32.678  1615.60   33.252 33.57532 46.62141 
1 1 1    6    9   11 o  429.892   12.417   49.728   2.5665   58.707   5.5454   47.280   2.8952  452.854   21.472  406.929   12.476 45.92505 24.83364 
1 1 1    6    9   13 o  911.869   12.483  237.661   6.4890  246.592   9.3123  229.233   9.0471  928.518   17.586  895.220   17.721 33.29816 24.96612 
1 1 1    6    9   15 o  572.011   12.058   93.557   3.8721   93.528   6.0305   93.578   5.0507  571.798   18.494  572.224   15.477 -0.4265137 24.11548 
1 1 1    6    9   17 o  1469.07   12.487  616.794   10.445  618.588   15.219  615.196   14.361  1470.99   18.142  1467.15   17.164 3.840332 24.97484 
1 1 1    6    9   19 f  251.599   13.609   18.072   1.9505   18.540   2.8380   17.653   2.6852  254.673   19.541  248.526   18.946 6.147491 27.21725 
1 1 1    6    9   21 o  591.026   13.633   99.854   4.5942   97.511   6.4875  102.210   6.5068  584.057   19.477  597.994   19.080 -13.93658 27.26564 
1 1 1    6    9   23 o  436.523   13.328   52.735   3.1932   48.463   3.9413   60.896   5.4475  411.767   16.784  461.280   20.708 -49.51340 26.65591 
1 1 1    6    9   25 o  167.105   38.091   8.0323   4.0303   7.9516   5.0580   8.1727   6.6703  163.692   49.766  170.517   57.681 -6.824905 76.18279 
1 1 1    6    9   27 o  252.662   22.255   18.695   2.9837   18.961   3.6274   18.138   5.2467  256.359   24.811  248.964   36.954 7.395218 44.51043 
1 1 1    6    9   29 o  153.753   32.442   7.1777   3.3028   10.581   4.5173   3.2687   4.8413  184.036   43.694  123.470   47.966 60.56611 64.88338 
1 1 1    6    9   31 o  133.802   31.505   5.4390   2.7786   6.0637   4.3485   5.0080   3.6122  139.550   46.576  128.053   42.437 11.49666 63.00962 
1 1 1    6    9   33 o  138.827   31.078   6.3858   2.7364   5.7441   3.6090   7.2536   4.1970  131.843   42.335  145.812   45.511 -13.96843 62.15679 
1 1 1    6    9   35 o  126.492   32.273   4.8326   3.3719   9.9842   4.8966   0.1866   4.6502  159.547   49.053   93.438   41.951 66.10868 64.54568 
1 1 1    6    9   37 o   80.364   25.701  -0.3611   2.5709   2.6632   3.8811  -2.7258   3.4319   94.636   40.474   66.092   31.687 28.54343 51.40206 
1 1 1    6    9   39 o   85.335   28.275   2.0071   3.5586  -0.9129   5.2338   4.5175   4.8530   76.871   37.401   93.799   42.416 -16.92852 56.55074 
1 1 1    6   10    0 o  199.269   16.197   11.774   2.5138   11.774   2.5138   11.774   2.5138  199.269   22.906  199.269   22.906 -0.000000 0.000000 
1 1 1    6   10    2 o  1322.70   15.657  499.754   11.810  500.568   16.705  498.941   16.700  1323.78   22.128  1321.62   22.157 2.157104 31.31399 
1 1 1    6   10    4 o  1017.40   21.391  296.288   12.408  303.264   17.540  289.299   17.556  1029.43   29.878  1005.36   30.620 24.07184 42.78119 
1 1 1    6   10    6 o  1168.15   22.033  391.082   14.676  383.039   20.766  399.107   20.743  1156.09   31.496  1180.22   30.819 -24.12598 44.06614 
1 1 1    6   10    8 o  1198.00   18.884  408.337   12.147  419.501   21.226  402.901   14.812  1209.17   30.782  1186.82   21.884 22.35083 37.76810 
1 1 1    6   10   10 o  636.762   16.802  111.960   5.0402  123.731   11.042  108.862   5.6648  656.318   29.500  617.207   16.094 39.11133 33.60483 
1 1 1    6   10   12 o  729.454   11.770  152.072   4.8731  151.440   6.5730  152.842   7.2616  727.867   15.835  731.041   17.418 -3.173950 23.54011 
1 1 1    6   10   14 o  340.038   11.572   32.750   2.1703   31.892   2.7241   34.240   3.5910  334.103   14.297  345.973   18.201 -11.87018 23.14440 
1 1 1    6   10   16 o  143.859   19.683   6.1564   1.5679   7.2041   2.1581   4.9852   2.2818  158.574   23.864  129.145   31.307 29.42886 39.36512 
1 1 1    6   10   18 o  678.251   11.388  131.401   4.4047  131.507   6.2530  131.298   6.2057  678.516   16.160  677.985   16.050 0.5309448 22.77589 
1 1 1    6   10   20 f  419.201   14.589   50.281   3.2827   50.135   5.6993   50.354   4.0156  418.552   23.877  419.850   16.771 -1.298676 29.17862 
1 1 1    6   10   22 o  362.566   12.489   36.718   2.4304   40.082   4.3092   35.149   2.9431  374.331   20.186  350.802   14.711 23.52850 24.97794 
1 1 1    6   10   24 o  104.967   28.401   2.2022   2.3768   2.5153   3.3806   1.8963   3.3422  107.747   40.517  102.188   39.810 5.559814 56.80212 
1 1 1    6   10   26 o  200.567   31.371   12.314   3.4888   12.983   4.7808   11.551   5.1028  206.974   41.940  194.161   46.663 12.81311 62.74102 
1 1 1    6   10   28 o  143.214   31.744   6.1224   2.9798   3.9461   4.4416   7.9036   4.0182  126.305   46.648  160.124   43.066 -33.81978 63.48742 
1 1 1    6   10   30 o   92.219   26.521   0.4635   2.4765   3.1741   3.0762  -4.5283   4.1747  108.674   39.014   75.764   35.936 32.90979 53.04256 
1 1 1    6   10   32 o  127.832   32.439   4.9999   2.9437   4.5776   4.9784   5.2269   3.6502  127.469   48.875  128.194   42.668 -0.7246323 64.87896 
1 1 1    6   10   34 o  144.419   29.683   7.2880   2.9448   11.455   4.0621   2.6723   4.2752  182.527   40.118  106.310   43.760 76.21691 59.36670 
1 1 1    6   10   36 o  130.777   34.414   7.1300   3.3645   9.1768   5.4032   5.8338   4.2999  141.177   51.558  120.377   45.597 20.80012 68.82841 
1 1 1    6   10   38 o   83.235   26.847   1.2816   2.7741   2.9716   4.3290   0.1041   3.6136   91.225   40.750   75.245   34.962 15.97966 53.69299 
1 1 1    6   11    1 o  1771.97   16.572  897.524   16.746  891.817   23.683  903.231   23.682  1766.32   23.511  1777.62   23.361 -11.29480 33.14386 
1 1 1    6   11    3 o  1815.54   23.550  944.972   24.383  936.444   34.467  953.515   34.498  1807.30   33.441  1823.78   33.169 -16.47913 47.10054 
1 1 1    6   11    7 o  636.013   13.221  115.811   4.6198  114.922   7.6201  116.327   5.8093  633.872   21.080  638.153   15.963 -4.280945 26.44157 
1 1 1    6   11    9 o  682.713   12.079  133.718   4.4984  131.575   7.5258  134.909   5.6111  678.189   19.458  687.238   14.317 -9.049683 24.15783 
1 1 1    6   11   11 o  603.719   19.503  104.775   6.2044  104.519   11.147  104.890   7.4681  602.323   32.453  605.116   21.641 -2.792480 39.00657 
1 1 1    6   11   13 o  1085.39   12.669  336.914   7.8406  340.058   11.204  333.897   10.976  1090.33   18.019  1080.45   17.813 9.883057 25.33774 
1 1 1    6   11   15 o  635.051   10.670  114.452   3.5585  113.276   4.2583  117.174   6.4787  629.913   11.854  640.190   17.745 -10.27722 21.34040 
1 1 1    6   11   17 o  844.836   12.912  204.045   6.2165  202.626   8.9445  205.372   8.6460  841.952   18.628  847.719   17.884 -5.766785 25.82360 
1 1 1    6   11   19 o  230.682   16.084   15.099   2.1024   14.194   2.7896   16.288   3.1987  222.776   21.957  238.587   23.509 -15.81122 32.16813 
1 1 1    6   11   21 o  613.745   14.815  107.234   4.9443  106.059   6.1141  109.457   8.4048  609.192   17.599  618.297   23.836 -9.105103 29.62911 
1 1 1    6   11   23 o  421.597   15.995   50.942   3.8457   50.570   5.4221   51.318   5.4554  420.048   22.635  423.146   22.607 -3.097046 31.99076 
1 1 1    6   11   25 o  112.942   30.901   1.8140   2.9855  -0.7535   4.1251   4.6381   4.3264   93.410   40.831  132.473   46.392 -39.06274 61.80151 
1 1 1    6   11   27 o  242.472   32.392   14.534   4.0575   9.8129   4.7141   28.031   7.9706  178.184   46.056  306.761   45.562 -128.5771 64.78452 
1 1 1    6   11   29 o  135.294   30.903   4.7327   2.8595   1.9491   3.7147   8.7811   4.4797  104.140   41.537  166.449   45.768 -62.30984 61.80655 
1 1 1    6   11   31 o  158.871   25.860   8.5197   2.7814   0.7915   4.2533   14.294   3.6764   99.492   42.455  218.251   29.538 -118.7585 51.71993 
1 1 1    6   11   33 o  145.675   31.786   7.0440   2.7659   8.7136   4.8663   6.2472   3.3618  155.481   49.078  135.870   40.408 19.61115 63.57290 
1 1 1    6   11   35 o   77.063   26.110  -3.8546   3.2928  -5.0482   4.8781  -2.8554   4.4631   75.634   36.638   78.492   37.209 -2.857780 52.21908 
1 1 1    6   11   37 o  102.684   29.495   4.2799   2.7430   3.0986   3.9224   5.4106   3.8375   94.822   40.624  110.547   42.771 -15.72440 58.98912 
1 1 1    6   12    0 o  1782.22   16.602  907.549   23.854  907.549   23.854  907.549   23.854  1782.22   23.479  1782.22   23.479 0.000000 0.000000 
1 1 1    6   12    2 o  1648.38   19.853  773.057   17.659  794.347   30.552  762.377   21.639  1664.15   32.192  1632.62   23.242 31.52893 39.70524 
1 1 1    6   12    4 o  386.643   29.287   42.862   6.4577   0.0000   0.0000   42.862   6.4577  ?   ?   386.643   29.287      ?      ? 
1 1 1    6   12    6 o  1546.39   19.591  680.138   16.322  668.735   19.957  703.175   28.367  1528.39   22.897  1564.38   31.796 -35.98889 39.18228 
1 1 1    6   12    8 o  949.148   21.481  258.917   11.625  261.359   16.655  256.598   16.232  953.446   30.631  944.851   30.124 8.595520 42.96211 
1 1 1    6   12   10 o  1117.15   17.911  351.572   9.8317  371.106   20.055  345.392   11.280  1135.46   30.971  1098.83   18.001 36.62732 35.82185 
1 1 1    6   12   12 o  333.140   15.351   30.723   2.6894   29.154   3.1937   34.551   4.9867  319.269   17.540  347.011   25.199 -27.74124 30.70264 
1 1 1    6   12   14 o  563.558   13.118   90.801   4.2110   91.372   6.1161   90.286   5.8066  565.204   18.975  561.911   18.120 3.292297 26.23694 
1 1 1    6   12   16 o  454.480   13.684   61.141   3.0195   63.181   3.4899   55.066   6.0218  470.431   13.009  438.529   24.079 31.90167 27.36802 
1 1 1    6   12   18 o  238.532   11.511   16.384   1.5512   17.527   2.1038   15.023   2.2962  247.750   14.890  229.314   17.559 18.43599 23.02203 
1 1 1    6   12   20 o  748.326   16.039  159.577   6.8301  173.254   10.029  147.744   9.3279  778.118   22.600  718.535   22.764 59.58276 32.07701 
1 1 1    6   12   22 o  435.631   14.332   53.768   3.5254   50.670   4.6184   58.095   5.4572  420.826   19.244  450.437   21.244 -29.61179 28.66439 
1 1 1    6   12   24 o  334.195   20.681   31.752   3.9102   27.088   5.2071   37.782   5.9213  306.388   29.801  362.003   28.682 -55.61523 41.36155 
1 1 1    6   12   26 o  196.218   37.823   11.455   4.0747   10.648   4.8563   13.374   7.4897  185.831   46.057  206.605   60.010 -20.77425 75.64654 
1 1 1    6   12   28 f  308.750   17.371   27.721   3.0514   28.230   4.1985   27.150   4.4426  311.980   23.598  305.520   25.498 6.459961 34.74192 
1 1 1    6   12   30 o  169.639   29.235   9.3642   2.7586   9.8700   3.5054   8.5412   4.4712  177.526   35.859  161.752   46.184 15.77461 58.47055 
1 1 1    6   12   32 o   81.488   25.901  -1.1524   2.3774  -2.0685   2.9204   0.6472   4.0933   67.596   31.415   95.380   41.188 -27.78412 51.80167 
1 1 1    6   12   34 o   93.051   29.564  -0.0987   3.3300   1.4915   4.4862  -2.0498   4.9693   98.910   42.916   87.191   40.674 11.71889 59.12827 
1 1 1    6   12   36 o  102.137   30.474   3.3989   2.9620   5.0912   4.8037   2.3608   3.7624  111.412   46.172   92.861   39.786 18.55025 60.94880 
1 1 1    6   12   38 o   78.448   25.997   0.5542   3.0297  -2.3896   4.8815   2.3987   3.8639   72.439   35.434   84.458   38.051 -12.01854 51.99471 
1 1 1    6   13    1 o  604.876   18.003  103.675   5.8854  108.301   10.188  101.358   7.2101  614.480   29.074  595.272   21.239 19.20795 36.00529 
1 1 1    6   13    3 o  1095.16   21.650  344.394   13.522  345.534   19.121  343.253   19.125  1096.99   30.564  1093.33   30.672 3.653320 43.30084 
1 1 1    6   13    5 o  807.856   15.928  187.161   7.3003  189.927   9.8785  183.832   10.836  814.626   21.264  801.086   23.720 13.53967 31.85546 
1 1 1    6   13    7 o  260.048   18.423   18.714   2.5323   21.239   4.6595   17.655   3.0167  271.786   30.062  248.309   21.303 23.47643 36.84520 
1 1 1    6   13    9 o   99.495   25.581   2.5929   1.6960  -2.6209   4.7994   3.3368   1.8129   92.915   42.084  106.075   29.095 -13.16039 51.16201 
1 1 1    6   13   11 o  515.655   20.758   76.564   5.6855   76.152   10.058   76.758   6.8923  513.846   34.324  517.464   23.355 -3.617981 41.51660 
1 1 1    6   13   13 o  870.344   15.027  216.124   7.4056  222.673   11.231  211.087   9.8508  881.793   22.333  858.895   20.111 22.89838 30.05369 
1 1 1    6   13   15 o  839.549   13.032  201.588   6.2348  198.635   8.9587  204.361   8.6823  833.537   18.846  845.562   18.005 -12.02472 26.06482 
1 1 1    6   13   17 f  341.743   16.068   33.331   3.1064   34.020   4.7221   32.806   4.1246  344.785   24.016  338.702   21.354 6.083099 32.13594 
1 1 1    6   13   19 o  155.321   24.104   6.5841   2.0188   9.8704   3.4682   4.9000   2.4827  182.368   34.613  128.273   33.555 54.09451 48.20796 
1 1 1    6   13   21 o  253.180   18.339   18.964   2.2127   19.474   2.5329   17.321   4.5463  261.007   17.017  245.354   32.492 15.65263 36.67822 
1 1 1    6   13   23 o  406.159   29.908   51.057   4.2755   44.319   12.520   51.946   4.5489  386.441   56.809  425.877   18.730 -39.43643 59.81694 
1 1 1    6   13   25 o  163.982   42.406   6.0577   3.1742   6.7284   12.261   6.0095   3.2862  186.819   75.132  141.145   39.350 45.67401 84.81271 
1 1 1    6   13   27 o  162.417   37.553   7.7050   3.9492   6.5282   5.0912   9.4827   6.2575  149.570   50.394  175.265   55.689 -25.69485 75.10539 
1 1 1    6   13   29 o   95.884   29.060   0.3060   2.8597   1.5087   3.6394  -1.6351   4.6235   99.506   40.599   92.262   41.590 7.244347 58.12052 
1 1 1    6   13   31 o   96.364   28.792   0.2604   2.9622  -3.8804   4.5954   3.2041   3.8746   81.204   38.271  111.524   43.025 -30.32062 57.58338 
1 1 1    6   13   33 o  111.359   31.373   3.2759   3.1138   0.9892   4.6433   5.1446   4.1975   99.067   43.311  123.650   45.400 -24.58324 62.74529 
1 1 1    6   13   35 o  116.184   30.272   5.1839   2.6808   4.1145   3.8495   6.1909   3.7356  107.565   42.479  124.804   43.142 -17.23907 60.54458 
1 1 1    6   13   37 o   63.884   22.381  -6.2723   2.6455   0.6437   4.3813 -10.2406   3.3187   81.785   38.166   45.982   23.387 35.80377 44.76162 
1 1 1    6   14    2 o  986.549   21.498  279.717   12.095  281.474   17.100  277.959   17.109  989.675   30.298  983.422   30.507 6.252319 42.99594 
1 1 1    6   14    4 o  661.900   21.304  125.949   8.0417  125.894   11.397  126.004   11.348  661.743   30.200  662.057   30.057 -0.3138428 42.60834 
1 1 1    6   14    6 o  1069.46   15.375  327.803   9.3692  312.521   13.253  343.073   13.247  1044.41   22.251  1094.51   21.223 -50.09668 30.74953 
1 1 1    6   14    8 o  780.712   18.113  178.760   6.4181  168.599   14.212  181.364   7.1934  764.898   32.580  796.526   15.836 -31.62805 36.22515 
1 1 1    6   14   10 o  952.473   18.096  257.475   8.4485  265.883   17.204  254.803   9.6985  961.110   31.388  943.836   18.018 17.27423 36.19200 
1 1 1    6   14   12 o  644.529   20.263  119.850   6.9550  117.683   12.206  120.892   8.4633  639.375   33.475  649.682   22.843 -10.30640 40.52653 
1 1 1    6   14   14 o  845.085   16.184  204.475   7.7983  201.529   11.080  207.367   10.978  839.013   23.156  851.156   22.616 -12.14386 32.36803 
1 1 1    6   14   16 o  1169.39   13.139  390.732   8.7599  393.120   12.538  388.455   12.244  1172.85   18.745  1165.92   18.414 6.934204 26.27705 
1 1 1    6   14   18 o  835.174   15.990  199.383   7.6073  203.123   11.063  196.027   10.477  842.547   23.024  827.802   22.194 14.74506 31.97958 
1 1 1    6   14   20 o  519.210   9.7661   76.272   2.8747   70.689   3.8207   83.557   4.3643  497.536   13.465  540.885   14.149 -43.34863 19.53219 
1 1 1    6   14   22 o  416.205   28.422   51.475   4.5662   48.718   12.320   51.913   4.9163  406.737   53.114  425.673   20.252 -18.93646 56.84374 
1 1 1    6   14   24 o  286.375   40.955   24.363   5.0008   26.136   12.316   24.013   5.4723  285.092   74.809  287.658   33.358 -2.565063 81.90971 
1 1 1    6   14   26 o  156.248   27.940   8.0050   3.1237   12.820   3.8322  -1.5288   5.3925  209.567   32.065  102.928   45.764 106.6385 55.87901 
1 1 1    6   14   28 o  125.245   32.595   4.1773   3.0689   5.0303   3.8902   2.7718   4.9938  130.523   44.051  119.968   48.053 10.55443 65.18932 
1 1 1    6   14   30 o   99.667   29.258   1.3008   2.7234   2.4230   4.1449   0.4483   3.6127  108.515   43.668   90.818   38.951 17.69653 58.51548 
1 1 1    6   14   32 o   63.963   21.957  -5.3694   2.5233  -3.5329   3.5972  -7.1483   3.5404   69.727   33.156   58.199   28.796 11.52793 43.91489 
1 1 1    6   14   34 o  128.794   33.296   6.5739   3.1960   7.0471   4.0764   5.8190   5.1488  134.206   45.094  123.382   49.000 10.82355 66.59155 
1 1 1    6   14   36 o   92.348   27.728   1.7083   2.4343  -0.3752   2.9381   6.2703   4.3475   69.783   32.104  114.913   45.218 -45.12998 55.45565 
1 1 1    6   15    3 o  551.215   21.276   87.400   6.6874   89.241   9.4840   85.579   9.4310  557.026   29.855  545.404   30.321 11.62195 42.55256 
1 1 1    6   15    5 o  494.967   12.452   70.798   3.1127   68.504   5.9620   71.658   3.6496  489.036   21.378  500.897   12.776 -11.86075 24.90459 
1 1 1    6   15    7 o  930.966   18.897  248.498   9.3973  250.052   16.498  247.752   11.433  931.962   31.042  929.969   21.558 1.992432 37.79348 
1 1 1    6   15    9 o  382.864   19.763   40.587   3.6258   44.941   7.7548   39.369   4.1017  394.808   34.442  370.920   19.390 23.88834 39.52549 
1 1 1    6   15   11 o  610.769   17.679  100.248   4.8980  118.221   11.461   96.232   5.4176  641.255   31.340  580.282   16.371 60.97284 35.35836 
1 1 1    6   15   13 o  774.243   16.299  171.659   7.1942  167.531   10.215  175.721   10.134  764.956   23.416  783.529   22.679 -18.57306 32.59810 
1 1 1    6   15   15 o  475.366   11.680   64.714   3.1478   56.190   4.4207   73.481   4.4834  443.480   17.479  507.252   15.498 -63.77109 23.36081 
1 1 1    6   15   17 o  1122.81   16.209  360.622   10.376  364.364   14.884  357.085   14.471  1128.44   23.129  1117.19   22.714 11.26001 32.41728 
1 1 1    6   15   19 o  663.974   12.823  126.738   4.8028  131.367   6.4096  120.811   7.2527  678.019   16.577  649.930   19.568 28.08850 25.64515 
1 1 1    6   15   21 o  534.073   25.452   82.456   6.8330   82.533   13.273   82.428   7.9703  532.475   43.710  535.670   26.091 -3.195129 50.90494 
1 1 1    6   15   23 o  320.432   39.214   31.361   5.8055   30.623   12.141   31.580   6.6103  311.091   70.111  329.773   35.149 -18.68185 78.42859 
1 1 1    6   15   25 o  261.797   27.762   21.888   3.6806   16.291   6.1131   25.071   4.6098  229.465   48.246  294.128   27.482 -64.66261 55.52393 
1 1 1    6   15   27 o  192.974   41.986   12.119   5.0090   12.048   6.4503   12.226   7.9502  192.425   55.632  193.522   62.901 -1.097260 83.97281 
1 1 1    6   15   29 o  100.703   29.593   0.8636   2.8258  -0.8137   3.7000   3.2114   4.3775   85.033   37.852  116.373   45.499 -31.33987 59.18518 
1 1 1    6   15   31 o  115.204   32.006   3.5692   3.0491   3.8046   3.9406   3.2180   4.8134  114.990   43.628  115.418   46.843 -0.4282227 64.01268 
1 1 1    6   15   33 o   85.922   28.046  -1.3596   3.2100  -2.1946   4.4399  -0.4451   4.6464   81.585   38.186   90.259   41.086 -8.673820 56.09104 
1 1 1    6   15   35 o   93.017   28.856   1.8408   3.0295   4.1315   4.2797  -0.4600   4.2890  104.399   43.449   81.636   37.984 22.76295 57.71146 
1 1 1    6   15   37 o   72.301   24.473  -0.8472   2.8919  -2.1898   4.1987   0.3646   3.9890   68.798   33.480   75.803   35.705 -7.004761 48.94590 
1 1 1    6   16    0 o  563.979   21.356   91.883   9.6502   91.883   9.6502   91.883   9.6502  563.979   30.202  563.979   30.202 0.000000 0.000000 
1 1 1    6   16    2 o  517.748   21.280   77.139   6.2823   75.670   8.8972   78.600   8.8718  512.780   30.425  522.716   29.761 -9.935486 42.56075 
1 1 1    6   16    4 o  149.573   13.492   5.7557   0.9818   5.2387   1.1056   7.6849   2.1358  135.405   14.318  163.740   22.872 -28.33511 26.98379 
1 1 1    6   16    6 o  238.404   17.307   16.258   2.3484   17.772   3.4098   14.892   3.2392  248.960   24.016  227.849   24.928 21.11072 34.61487 
1 1 1    6   16    8 o  693.729   13.375  137.680   5.2519  137.595   7.9259  137.746   7.0122  693.401   20.043  694.057   17.716 -0.6551514 26.75070 
1 1 1    6   16   10 o  185.654   18.559   9.8860   1.9641   9.7993   2.8124   9.9685   2.7442  184.841   26.680  186.465   25.806 -1.624146 37.11855 
1 1 1    6   16   12 o  662.751   13.343  126.135   4.9311  122.796   7.7878  128.369   6.3709  655.209   20.842  670.292   16.667 -15.08301 26.68637 
1 1 1    6   16   14 o  1052.06   16.071  316.588   9.6400  319.171   13.806  314.131   13.466  1056.22   22.921  1047.90   22.533 8.313477 32.14236 
1 1 1    6   16   16 o  681.605   23.914  133.468   9.2947  135.836   13.149  131.103   13.140  687.691   33.528  675.519   34.109 12.17188 47.82891 
1 1 1    6   16   18 o  883.793   14.534  220.789   7.1358  212.231   9.0366  234.965   11.630  861.601   18.391  905.985   22.510 -44.38354 29.06790 
1 1 1    6   16   20 o  139.710   38.727   4.0059   3.6621   0.5055   9.4725   4.6210   3.9708  148.643   63.392  130.777   44.503 17.86664 77.45380 
1 1 1    6   16   22 o  475.181   17.962   65.448   4.2487   64.005   8.3351   65.955   4.9385  470.538   31.062  479.823   18.048 -9.284088 35.92419 
1 1 1    6   16   24 o  297.801   42.506   28.593   6.7784   31.136   8.5039   24.160   11.225  323.453   46.102  272.150   71.426 51.30322 85.01151 
1 1 1    6   16   26 o  354.699   23.116   36.000   4.4621   33.619   5.4659   40.757   7.7260  339.101   28.264  370.297   36.586 -31.19534 46.23177 
1 1 1    6   16   28 o  183.940   26.212   10.724   2.6556   9.1715   4.0748   11.870   3.5013  168.635   42.411  199.245   30.814 -30.61069 52.42373 
1 1 1    6   16   30 o  127.028   26.794   5.5763   2.2806   7.3594   2.7725   1.8451   4.0105  151.873   32.957  102.184   42.255 49.68914 53.58754 
1 1 1    6   16   32 o   77.856   25.671  -3.2979   2.7922  -6.0582   3.6436   0.6292   4.3460   61.567   30.218   94.146   41.508 -32.57849 51.34232 
1 1 1    6   16   34 o  150.462   33.012   9.5626   3.3394   5.8328   4.5497   13.919   4.9169  118.586   46.379  182.337   46.990 -63.75020 66.02346 
1 1 1    6   16   36 o   81.734   26.623   1.1990   2.8716   0.7858   4.2784   1.5378   3.8737   80.993   37.769   82.476   37.532 -1.483185 53.24599 
1 1 1    6   17    1 o  893.376   21.547  229.692   10.973  221.609   15.512  237.787   15.523  877.501   30.998  909.250   29.937 -31.74878 43.09433 
1 1 1    6   17    3 o  683.705   21.401  134.459   8.3439  133.167   11.823  135.741   11.777  680.393   30.470  687.017   30.060 -6.624146 42.80175 
1 1 1    6   17    5 f  937.937   15.239  251.959   8.1492  245.639   11.528  258.273   11.521  926.126   21.827  949.748   21.272 -23.62146 30.47786 
1 1 1    6   17    7 o  768.239   19.501  171.040   7.9486  164.801   13.978  174.021   9.6630  756.842   32.385  779.635   21.733 -22.79303 39.00179 
1 1 1    6   17    9 o  345.643   20.613   32.282   3.4123   38.066   7.4078   30.725   3.8444  363.570   35.728  327.717   20.570 35.85266 41.22651 
1 1 1    6   17   11 o  386.705   22.762   44.898   4.0121   39.699   8.6807   46.311   4.5244  370.952   41.034  402.458   19.713 -31.50687 45.52341 
1 1 1    6   17   13 o  640.983   19.260  116.274   5.7249  120.175   12.613  115.261   6.4248  646.812   34.194  635.154   17.737 11.65747 38.52095 
1 1 1    6   17   15 o  488.110   25.830   68.534   7.1885   68.157   10.257   68.898   10.077  486.742   36.951  489.477   36.102 -2.734924 51.65950 
1 1 1    6   17   17 o  320.584   53.349   29.947   9.7536   29.947   9.7536   0.0000   0.0000  320.584   53.349  ?   ?       ?      ? 
1 1 1    6   17   19 o  1082.62   20.956  337.398   11.961  336.628   21.466  337.745   14.405  1079.88   34.857  1085.35   23.273 -5.468872 41.91223 
1 1 1    6   17   21 o  522.903   17.337   80.317   4.4416   75.265   8.8249   82.030   5.1401  510.504   30.312  535.302   16.838 -24.79773 34.67492 
1 1 1    6   17   23 o  189.973   29.078   11.081   3.1776   6.4277   4.4989   15.714   4.4888  147.826   47.246  232.121   33.910 -84.29533 58.15528 
1 1 1    6   17   25 o  270.194   41.905   22.377   5.4108   21.637   6.1005   25.103   11.715  269.380   39.711  271.008   73.805 -1.628052 83.80980 
1 1 1    6   17   27 o  160.441   35.445   8.5684   3.8400   4.0563   6.3105   11.222   4.8390  134.894   54.023  185.988   45.902 -51.09335 70.89075 
1 1 1    6   17   29 f  104.319   31.540   0.9453   3.4097  -1.3973   5.2283   2.6789   4.4978   96.810   43.879  111.829   45.318 -15.01873 63.07978 
1 1 1    6   17   31 o  129.362   34.225   5.7422   3.5788   2.3373   6.0628   7.5630   4.4336  114.498   49.785  144.227   46.977 -29.72839 68.44988 
1 1 1    6   17   33 o   95.362   27.340   1.6392   2.5218   5.2842   3.7319  -1.4240   3.4211  117.772   42.873   72.952   33.937 44.82021 54.67944 
1 1 1    6   17   35 o   91.073   26.668   2.9694   2.2198   2.7726   2.8209   3.2893   3.5975   88.486   35.878   93.660   39.464 -5.174400 53.33536 
1 1 1    6   18    2 o  634.061   15.080  115.101   5.4529  114.702   7.7194  115.499   7.7039  632.956   21.385  635.166   21.268 -2.210266 30.16067 
1 1 1    6   18    4 o  902.962   22.148  234.434   11.405  232.532   16.140  236.331   16.117  899.267   31.472  906.657   31.170 -7.390198 44.29548 
1 1 1    6   18    6 o  213.324   33.939   13.721   4.0290   13.640   5.6851   13.803   5.7108  212.683   48.010  213.965   47.985 -1.282181 67.87875 
1 1 1    6   18    8 o  682.125   13.519  132.898   5.2325  134.428   7.8228  131.660   7.0389  685.584   20.008  678.666   18.187 6.917786 27.03863 
1 1 1    6   18   10 o  1109.95   18.567  354.410   10.059  350.030   20.389  355.820   11.564  1104.06   32.383  1115.84   18.173 -11.77820 37.13373 
1 1 1    6   18   12 o  830.402   16.985  197.790   8.0157  191.105   11.715  203.674   10.992  817.036   25.142  843.768   22.842 -26.73126 33.96935 
1 1 1    6   18   14 o  709.297   34.139  144.557   13.809  144.557   13.809   0.0000   0.0000  709.297   34.139  ?   ?       ?      ? 
1 1 1    6   18   16 o  789.997   24.766  179.644   11.157  180.207   15.866  179.093   15.693  791.191   35.163  788.802   34.886 2.389099 49.53239 
1 1 1    6   18   18 o  1050.72   21.090  317.275   11.808  318.638   20.813  316.628   14.339  1050.72   34.734  1050.73   23.930 -0.9643555E-02 42.17942 
1 1 1    6   18   20 o  309.492   21.290   25.093   3.3260   33.341   6.8185   22.518   3.8100  339.062   35.263  279.923   23.867 59.13885 42.58053 
1 1 1    6   18   22 o  112.390   27.591   3.2346   2.2619   1.3827   3.3593   4.7707   3.0594   97.708   39.315  127.073   38.721 -29.36457 55.18123 
1 1 1    6   18   24 o  103.286   32.894  -2.5600   4.0629  -4.1074   5.4088  -0.5564   6.1547   92.513   42.913  114.059   49.865 -21.54604 65.78740 
1 1 1    6   18   26 o  180.027   40.734   8.9621   3.8491   14.337   9.2440   7.8347   4.2336  203.390   67.908  156.663   45.006 46.72701 81.46813 
1 1 1    6   18   28 o  183.896   27.379   13.172   3.0569   18.912   3.7928   2.5295   5.1644  251.754   26.417  116.039   47.964 135.7151 54.75769 
1 1 1    6   18   30 o  146.044   36.572   7.5570   4.1539   2.9795   6.2564   11.166   5.5550  119.867   51.329  172.221   52.108 -52.35388 73.14317 
1 1 1    6   18   32 o  129.400   23.224   3.0895   2.5849   13.577   3.8863  -5.2303   3.4615  198.140   35.707   60.660   29.707 137.4807 46.44872 
1 1 1    6   18   34 o  115.741   29.734   5.8662   2.7190   3.3726   4.0472   7.9177   3.6708   97.189   41.442  134.294   42.651 -37.10500 59.46872 
1 1 1    6   18   36 o   79.233   27.685  -0.6463   4.3475  -2.6784   8.5495   0.0625   5.0491   81.058   40.792   77.409   37.443 3.648323 55.37094 
1 1 1    6   19    1 o  933.765   21.618  250.562   11.504  261.652   16.287  239.520   16.251  954.539   29.919  912.991   31.212 41.54730 43.23551 
1 1 1    6   19    3 o  496.922   15.417   70.678   4.3685   70.062   6.2088   71.282   6.1476  494.761   22.005  499.083   21.599 -4.321869 30.83403 
1 1 1    6   19    5 o  1148.60   23.079  380.001   15.078  365.644   21.874  392.997   20.812  1127.49   34.019  1169.70   31.199 -42.21606 46.15889 
1 1 1    6   19    7 o  1095.11   22.632  344.516   14.128  332.621   19.986  356.395   19.974  1076.07   32.568  1114.15   31.435 -38.07324 45.26455 
1 1 1    6   19    9 o  1240.26   32.535  441.627   23.012  441.627   23.012   0.0000   0.0000  1240.26   32.535  ?   ?       ?      ? 
1 1 1    6   19   11 o  767.487   18.172  167.571   6.2582  170.421   14.349  166.901   6.9545  770.518   32.655  764.455   15.952 6.062012 36.34312 
1 1 1    6   19   15 o  408.497   44.569   48.332   10.383   48.332   10.383   0.0000   0.0000  408.497   44.569  ?   ?       ?      ? 
1 1 1    6   19   17 o  681.128   18.163  133.198   7.0482  141.006   10.027  125.574   9.9091  700.965   25.084  661.290   26.275 39.67535 36.32617 
1 1 1    6   19   19 o  513.305   20.659   75.989   6.0447   79.273   8.6191   72.810   8.4796  524.295   28.827  502.316   29.601 21.97885 41.31816 
1 1 1    6   19   21 o  214.750   27.750   13.685   3.2464   21.782   4.8938   7.3212   4.3385  273.862   31.335  155.639   45.807 118.2229 55.49923 
1 1 1    6   19   23 o  151.927   36.131   6.0830   4.1873   10.842   5.5779  -0.0621   6.3383  185.755   51.069  118.099   51.126 67.65564 72.26275 
1 1 1    6   19   25 o  430.868   18.894   57.471   3.8629   60.285   4.4503   48.871   7.7798  457.076   17.073  404.661   33.712 52.41458 37.78883 
1 1 1    6   19   27 o  167.263   31.191   10.303   3.3121   3.3848   6.2570   12.997   3.9039  128.016   52.845  206.511   33.148 -78.49463 62.38114 
1 1 1    6   19   29 o  116.472   32.901   1.7121   3.2679  -1.1700   3.9454   8.0101   5.8324   83.769   38.027  149.175   53.702 -65.40579 65.80207 
1 1 1    6   19   31 o  101.040   31.334   1.6069   3.4413   2.3491   5.1553   1.0103   4.6218  105.841   45.964   96.240   42.598 9.601402 62.66805 
1 1 1    6   19   33 o   77.297   26.085  -3.3095   3.2507  -7.2051   4.4386   1.1973   4.7742   63.634   31.616   90.960   41.498 -27.32528 52.16991 
1 1 1    6   19   35 o  124.751   35.939   9.8858   3.5643   17.882   8.8803   8.3503   3.8915  125.002   56.862  124.500   43.966 0.5017166 71.87705 
1 1 1    6   20    0 o  1498.18   22.895  643.312   27.634  643.312   27.634  643.312   27.634  1498.18   32.378  1498.18   32.378 0.000000 0.000000 
1 1 1    6   20    2 o  1276.92   19.372  470.394   13.289  476.498   16.323  458.393   22.887  1290.45   22.180  1263.39   31.766 27.06091 38.74328 
1 1 1    6   20    4 o  469.612   16.415   63.066   4.3945   65.058   6.3197   61.202   6.1150  476.784   23.242  462.441   23.187 14.34225 32.83066 
1 1 1    6   20    6 o  664.524   15.034  126.592   5.6602  129.128   7.6258  123.481   8.4463  672.075   19.896  656.973   22.544 15.10187 30.06815 
1 1 1    6   20    8 o  746.573   19.860  157.646   8.0164  166.207   13.896  153.375   9.8142  761.013   32.018  732.133   23.506 28.88055 39.71988 
1 1 1    6   20   10 o  872.894   23.241  218.849   11.563  211.046   16.370  226.621   16.337  857.243   33.484  888.544   32.239 -31.30115 46.48194 
1 1 1    6   20   14 o  656.834   21.126  123.967   6.9783  123.833   13.555  124.016   8.1399  655.455   36.262  658.212   21.685 -2.757507 42.25120 
1 1 1    6   20   16 o  144.310   30.139   5.9605   2.6978   4.2462   3.6528   8.0175   4.0014  125.474   42.684  163.146   42.561 -37.67233 60.27721 
1 1 1    6   20   18 o  289.147   28.983   24.469   4.7429   28.128   6.7547   20.910   6.6612  310.987   38.087  267.306   43.697 43.68121 57.96553 
1 1 1    6   20   20 f  154.171   37.340   5.5766   4.4300  -0.2636   6.3350   11.166   6.1972  118.270   51.157  190.071   54.408 -71.80112 74.68089 
1 1 1    6   20   22 f  488.155   16.843   69.028   4.5456   68.420   7.3751   69.401   5.7723  485.565   26.633  490.745   20.625 -5.180237 33.68585 
1 1 1    6   20   24 o  215.762   30.021   12.026   3.3780   22.028   6.5538   8.4074   3.9419  268.426   42.813  163.097   42.095 105.3295 60.04150 
1 1 1    6   20   26 o  148.591   39.508   6.7643   4.7391   0.8763   8.8192   9.1547   5.6193  132.613   58.764  164.568   52.824 -31.95483 79.01628 
1 1 1    6   20   28 o  102.600   30.870   0.7782   3.4831  -9.4437   7.1641   3.9424   3.9859   88.939   43.380  116.260   43.934 -27.32086 61.74093 
1 1 1    6   20   30 o  120.670   32.490   4.8626   3.2947   7.1274   4.3578   1.8407   5.0338  137.466   46.622  103.874   45.262 33.59235 64.97949 
1 1 1    6   20   32 f   79.081   26.628  -2.0313   2.7383  -3.1052   3.1620   1.1893   5.4759   62.398   30.045   95.764   43.971 -33.36669 53.25550 
1 1 1    6   20   34 o  105.146   34.732   6.7935   4.8868   10.490   8.6375   5.0534   5.9266  110.984   52.356   99.309   45.653 11.67503 69.46447 
1 1 1    6   21    1 o  934.474   18.981  254.626   9.4829  236.955   16.283  263.694   11.665  908.701   31.421  960.247   21.302 -51.54645 37.96138 
1 1 1    6   21    3 o  1098.24   15.742  345.075   9.8551  357.529   13.961  332.705   13.914  1118.05   21.896  1078.43   22.623 39.62219 31.48383 
1 1 1    6   21    5 f  433.492   21.614   55.172   4.8628   50.758   8.7820   57.124   5.8398  420.137   36.653  446.847   22.916 -26.71048 43.22737 
1 1 1    6   21    7 o  865.142   19.914  217.066   9.1174  207.477   16.078  221.611   11.069  850.053   33.166  880.230   22.051 -30.17719 39.82764 
1 1 1    6   21    9 o  1481.42   19.991  623.400   15.903  645.974   27.838  612.464   19.376  1499.88   32.546  1462.96   23.225 36.91577 39.98244 
1 1 1    6   21   13 o  755.649   24.788  165.511   10.606  144.353   15.107  186.072   14.892  707.187   37.459  804.112   32.476 -96.92462 49.57631 
1 1 1    6   21   15 o  483.845   17.164   65.486   4.2969   71.248   8.1367   63.258   5.0600  497.610   28.673  470.080   18.875 27.53030 34.32757 
1 1 1    6   21   17 o  397.582   19.451   41.913   4.1829   34.845   5.0324   57.711   7.5235  348.005   25.357  447.160   29.503 -99.15500 38.90243 
1 1 1    6   21   19 o  379.488   25.226   42.371   5.4018   35.718   7.6812   48.881   7.5982  349.026   38.590  409.950   32.500 -60.92328 50.45275 
1 1 1    6   21   21 o  302.856   24.740   28.361   3.3727   29.384   3.7989   24.557   7.3284  319.296   20.863  286.416   44.866 32.87991 49.47952 
1 1 1    6   21   23 o  201.053   34.921   13.338   3.9222   11.506   6.4054   14.437   4.9611  187.372   55.789  214.733   42.017 -27.36035 69.84167 
1 1 1    6   21   25 o  253.960   25.002   19.914   3.5646   21.326   4.7711   18.130   5.3627  266.035   31.448  241.885   38.876 24.15039 50.00325 
1 1 1    6   21   27 o  134.246   41.757   3.8156   5.1906  -7.7316   15.592   5.2548   5.5046  136.574   65.998  131.918   51.174 4.655884 83.51341 
1 1 1    6   21   29 o  146.700   36.671   5.0450   4.4378   17.407   7.2909  -2.2303   5.5932  201.387   59.413   92.013   43.000 109.3738 73.34130 
1 1 1    6   21   31 o   99.746   32.487   1.1646   4.1216   2.5570   6.7927   0.3532   5.1851  106.937   49.054   92.556   42.605 14.38019 64.97317 
1 1 1    6   21   33 o  105.007   34.658   5.9079   4.9280   7.9617   8.5283   4.8784   6.0380  108.706   51.504  101.308   46.390 7.398140 69.31586 
1 1 1    6   22    0 o  1177.41   15.911  396.354   15.096  396.354   15.096  396.354   15.096  1177.41   22.501  1177.41   22.501 0.000000 0.000000 
1 1 1    6   22    2 o  1198.86   22.397  412.430   15.310  422.293   21.711  402.675   21.593  1213.19   31.380  1184.53   31.964 28.65295 44.79302 
1 1 1    6   22    4 o  1563.62   16.426  699.571   14.646  710.896   20.744  688.314   20.682  1576.28   23.077  1550.97   23.383 25.30750 32.85270 
1 1 1    6   22    6 o  1261.62   19.683  452.402   13.341  467.425   23.318  445.092   16.266  1276.01   32.043  1247.22   22.868 28.79053 39.36659 
1 1 1    6   22    8 o  465.617   20.950   64.487   3.9220   58.995   10.033   65.477   4.2611  452.449   38.885  478.785   15.606 -26.33554 41.89925 
1 1 1    6   22   10 o  335.487   28.208   32.296   5.3969   0.0000   0.0000   32.296   5.3969  ?   ?   335.487   28.208      ?      ? 
1 1 1    6   22   12 o  626.251   21.993  111.110   7.4354  118.218   12.951  107.616   9.0812  640.110   35.478  612.393   26.003 27.71710 43.98631 
1 1 1    6   22   14 o  481.776   24.704   64.524   6.4386   75.384   11.370   59.397   7.8119  509.583   39.125  453.968   30.174 55.61523 49.40894 
1 1 1    6   22   16 o  554.979   13.466   88.449   4.2403   86.562   6.2863   90.024   5.7436  549.380   20.065  560.578   17.966 -11.19812 26.93276 
1 1 1    6   22   18 o  493.211   17.812   68.173   4.5269   75.028   8.6475   65.586   5.3130  508.588   29.815  477.835   19.497 30.75305 35.62397 
1 1 1    6   22   20 o  307.290   31.776   29.215   5.2463   21.459   7.4865   36.698   7.3541  261.710   51.994  352.869   36.544 -91.15948 63.55200 
1 1 1    6   22   22 o  140.093   38.801   4.1579   4.6586   1.0649   6.6501   7.1384   6.5281  123.641   52.932  156.544   56.748 -32.90342 77.60189 
1 1 1    6   22   24 o  124.156   29.860   4.3410   2.5749   6.5679   3.9303   2.6666   3.4081  142.889   43.950  105.423   40.435 37.46653 59.72071 
1 1 1    6   22   26 o  210.240   34.296   18.477   4.2139   6.8982   8.1471   22.706   4.9236  149.058   60.771  271.423   31.809 -122.3654 68.59277 
1 1 1    6   22   28 o  123.367   41.613  -0.0004   5.0744   8.3170   15.207  -1.0427   5.3830  151.561   70.853   95.173   43.662 56.38813 83.22551 
1 1 1    6   22   30 o   82.042   27.151  -3.0504   3.4825 -10.4424   5.5854   1.6508   4.4543   68.923   34.437   95.162   41.985 -26.23894 54.30161 
1 1 1    6   22   32 o   83.185   29.080  -3.7468   4.7017  -1.8606   8.1058  -4.7033   5.7719   90.450   44.528   75.921   37.414 14.52914 58.15985 
1 1 1    6   23    1 o  974.958   15.851  271.970   8.8128  273.423   12.440  270.506   12.486  977.588   22.314  972.329   22.518 5.258423 31.70120 
1 1 1    6   23    3 o  1160.20   22.435  386.466   14.843  391.645   21.068  381.362   20.916  1167.94   31.631  1152.46   31.824 15.48206 44.87007 
1 1 1    6   23    5 o  832.544   20.007  200.596   8.8710  193.622   15.499  203.993   10.818  820.803   33.111  844.285   22.468 -23.48218 40.01482 
1 1 1    6   23    7 o  1124.54   18.952  364.817   10.459  358.230   20.997  366.991   12.062  1116.14   32.988  1132.94   18.669 -16.80200 37.90425 
1 1 1    6   23    9 o  627.948   23.446  112.980   8.3964   0.0000   0.0000  112.980   8.3964  ?   ?   627.948   23.446      ?      ? 
1 1 1    6   23   11 o  683.888   20.128  140.204   5.7807  126.025   13.949  143.144   6.3519  660.154   37.051  707.622   15.740 -47.46844 40.25555 
1 1 1    6   23   13 o  971.677   21.125  275.522   10.958  262.937   18.986  281.809   13.419  952.810   34.940  990.543   23.754 -37.73328 42.25013 
1 1 1    6   23   15 o  496.785   25.936   71.489   6.8805   72.682   12.100   70.920   8.3645  498.114   42.595  495.457   29.603 2.657776 51.87167 
1 1 1    6   23   17 o  212.164   31.769   16.486   3.8282   22.456   4.7003   4.7256   6.5975  278.198   29.627  146.131   56.209 132.0669 63.53865 
1 1 1    6   23   19 o  147.120   35.568   6.3325   3.7155   2.1940   6.5612   8.2860   4.5079  130.672   54.042  163.569   46.259 -32.89774 71.13643 
1 1 1    6   23   21 o  233.316   36.997   17.690   5.0022   23.955   7.1057   11.535   7.0430  279.289   44.613  187.343   59.033 91.94650 73.99487 
1 1 1    6   23   23 o  158.422   39.058   8.1878   4.3218   8.4845   5.7282   7.7958   6.5849  160.193   53.456  156.650   56.962 3.543915 78.11684 
1 1 1    6   23   25 o  125.213   32.465   3.4749   3.3038  -0.3465   4.3440   8.7181   5.0883   92.682   41.147  157.743   50.228 -65.06067 64.93008 
1 1 1    6   23   27 o  144.792   33.697   7.6161   3.9390  -0.2881   6.3388   12.589   5.0276  104.881   47.837  184.703   47.472 -79.82202 67.39405 
1 1 1    6   23   29 o  117.802   37.334   3.5416   4.9914   8.9198   8.2812   0.4729   6.2554  135.263   58.498  100.342   46.404 34.92077 74.66821 
1 1 1    6   23   31 f  148.463   31.005   10.354   3.3891   16.399   4.7380   4.0212   4.8498  196.049   43.514  100.877   44.179 95.17270 62.00971 
1 1 1    6   23   33 o  118.828   33.937   10.592   3.9172   13.144   5.1031   6.9307   6.1119  139.146   50.214   98.509   45.666 40.63748 67.87395 
1 1 1    6   24    0 o  656.941   16.331  123.768   8.6282  123.768   8.6282  123.768   8.6282  656.941   23.095  656.941   23.095 0.000000 0.000000 
1 1 1    6   24    2 f  553.723   14.299   89.715   4.1219   92.854   4.9593   82.702   7.4125  570.128   15.253  537.317   24.190 32.81085 28.59772 
1 1 1    6   24    4 o  223.227   44.065   14.920   5.4105   0.0000   0.0000   14.920   5.4105  ?   ?   223.227   44.065      ?      ? 
1 1 1    6   24    6 o  956.502   19.791  260.752   10.144  268.353   17.799  257.096   12.344  965.649   32.321  947.355   22.849 18.29395 39.58157 
1 1 1    6   24    8 o  280.940   30.585   22.714   4.9002   0.0000   0.0000   22.714   4.9002  ?   ?   280.940   30.585      ?      ? 
1 1 1    6   24   10 o  479.699   22.068   64.953   5.0626   68.982   10.745   63.803   5.7396  487.621   38.639  471.778   21.333 15.84256 44.13696 
1 1 1    6   24   12 o  384.904   26.273   42.913   4.7580   43.273   10.183   42.812   5.3816  383.906   46.510  385.902   24.453 -1.995911 52.54670 
1 1 1    6   24   14 o  251.880   35.927   26.753   3.7020   7.9064   9.6991   29.967   4.0052  180.826   68.484  322.934   21.748 -142.1084 71.85475 
1 1 1    6   24   16 o  211.232   34.032   13.190   3.9193   11.015   4.9286   16.931   6.4640  188.802   46.161  233.661   50.019 -44.85936 68.06380 
1 1 1    6   24   18 o  143.454   36.189   3.8421   3.8843   0.2158   4.8494   10.334   6.4883  105.323   45.148  181.585   56.572 -76.26241 72.37891 
1 1 1    6   24   20 o  162.540   35.103   8.4133   3.2641   7.2963   6.8334   8.7434   3.7154  158.206   57.951  166.874   39.631 -8.667679 70.20618 
1 1 1    6   24   22 o  108.803   30.474   1.5122   2.9686  -1.3044   3.9376   5.2212   4.5186   85.326   38.430  132.279   47.305 -46.95368 60.94798 
1 1 1    6   24   24 o  163.011   39.162   9.2755   4.4800   6.1491   6.1679   12.767   6.5179  140.318   54.243  185.704   56.501 -45.38565 78.32427 
1 1 1    6   24   26 o  143.275   39.454   7.3578   4.4538   9.3419   7.6301   6.3323   5.4853  152.453   59.932  134.098   51.330 18.35529 78.90864 
1 1 1    6   24   28 o   98.825   32.453  -0.1404   4.3951   0.5999   6.2850  -0.8490   6.1485  101.540   46.802   96.110   44.969 5.429916 64.90520 
1 1 1    6   24   30 o   89.394   28.372   1.6889   3.0843  -9.0408   8.2100   3.4521   3.3280   82.240   41.189   96.547   39.032 -14.30656 56.74481 
1 1 1    6   24   32 o   89.572   27.579   3.0815   2.9242   6.3364   3.9045  -1.0759   4.4128  106.533   42.555   72.612   35.094 33.92184 55.15882 
1 1 1    6   25    1 o  375.941   18.926   40.646   4.0501   38.667   5.8063   42.520   5.6522  366.923   27.748  384.960   25.746 -18.03738 37.85229 
1 1 1    6   25    3 o  698.018   16.334  139.706   6.4904  150.574   9.2424  129.133   9.1166  724.925   22.356  671.111   23.820 53.81329 32.66804 
1 1 1    6   25    5 o  393.417   35.588   44.714   7.9846   0.0000   0.0000   44.714   7.9846  ?   ?   393.417   35.588      ?      ? 
1 1 1    6   25    7 o  914.976   21.909  240.046   11.432   0.0000   0.0000  240.046   11.432  ?   ?   914.976   21.909      ?      ? 
1 1 1    6   25    9 o  518.643   21.086   76.918   4.4619   78.588   11.518   76.623   4.8398  519.824   38.853  517.462   16.401 2.362183 42.17225 
1 1 1    6   25   11 o  208.095   37.108   12.348   3.6850   14.673   8.4791   11.806   4.0916  217.860   64.015  198.330   37.550 19.52936 74.21528 
1 1 1    6   25   13 o  252.420   34.956   18.077   3.7481   21.364   9.3188   17.442   4.0939  259.441   63.499  245.400   29.253 14.04137 69.91278 
1 1 1    6   25   15 o  354.491   31.887   40.935   4.2004   33.471   10.784   42.271   4.5606  325.785   60.262  383.198   20.869 -57.41315 63.77309 
1 1 1    6   25   17 o  124.362   33.608   3.3414   3.5316  -2.4648   6.4958   5.7777   4.2078  109.055   49.216  139.669   45.779 -30.61446 67.21532 
1 1 1    6   25   19 o  360.932   24.094   40.690   4.5185   43.927   5.5236   34.143   7.8562  387.472   24.997  334.392   41.197 53.08069 48.18754 
1 1 1    6   25   21 o  198.278   34.087   10.954   3.4733   19.257   6.9764   8.2184   4.0049  237.957   52.790  158.598   43.137 79.35884 68.17346 
1 1 1    6   25   23 o  154.732   36.473   8.5805   3.8465   9.9200   4.7408   5.9999   6.5804  168.988   47.316  140.476   55.519 28.51199 72.94579 
1 1 1    6   25   25 o  216.843   34.335   20.455   4.1011   10.242   8.0772   24.002   4.7603  157.040   61.686  276.646   30.173 -119.6061 68.66986 
1 1 1    6   25   27 o  118.179   40.522   0.6110   5.8770   10.434   15.768  -0.9739   6.3334  139.289   67.074   97.070   45.489 42.21896 81.04382 
1 1 1    6   25   29 o   92.974   32.179  -2.9696   3.9126  -5.8554   4.3500   9.2542   8.9529   65.219   32.204  120.729   55.721 -55.51032 64.35793 
1 1 1    6   25   31 o  116.692   32.120   6.4856   3.1959   14.610   5.4039   2.1158   3.9632  150.309   51.893   83.074   37.866 67.23426 64.23917 
1 1 1    6   26    0 o  562.549   11.258   90.587   5.0984   90.587   5.0984   90.587   5.0984  562.549   15.921  562.549   15.921 0.000000 0.000000 
1 1 1    6   26    2 f  645.086   16.769  119.447   6.1686  120.395   8.7805  118.523   8.6679  647.601   23.775  642.570   23.654 5.031067 33.53720 
1 1 1    6   26    4 o  1072.08   31.981  331.986   19.553   0.0000   0.0000  331.986   19.553  ?   ?   1072.08   31.981      ?      ? 
1 1 1    6   26    6 o  980.617   32.369  278.066   18.102   0.0000   0.0000  278.066   18.102  ?   ?   980.617   32.369      ?      ? 
1 1 1    6   26    8 o  484.483   14.932   66.832   4.1093   60.504   5.5368   74.593   6.1316  459.147   21.145  509.820   21.089 -50.67282 29.86433 
1 1 1    6   26   10 o  306.207   15.474   26.259   2.6671   31.966   4.1875   22.364   3.4596  333.466   22.020  278.947   21.748 54.51874 30.94885 
1 1 1    6   26   12 o  119.201   32.317   2.9837   3.1039   1.8450   4.6446   3.9028   4.1725  113.693   46.059  124.709   45.343 -11.01627 64.63306 
1 1 1    6   26   14 o  522.099   29.189   79.306   8.6909   0.0000   0.0000   79.306   8.6909  ?   ?   522.099   29.189      ?      ? 
1 1 1    6   26   16 o  366.526   29.530   41.302   4.4156   39.131   11.031   41.716   4.8185  353.616   54.700  379.436   22.268 -25.81958 59.05913 
1 1 1    6   26   18 o  123.577   34.966   3.2505   3.6009   1.2578   6.6363   4.0820   4.2868  123.334   52.841  123.819   45.808 -0.4850388 69.93224 
1 1 1    6   26   20 o  148.205   35.530   6.6085   3.1742   6.1286   3.6143   8.2266   6.6373  137.993   42.094  158.417   57.252 -20.42386 71.06099 
1 1 1    6   26   22 o  197.161   35.392   12.766   3.7311   16.870   6.8623   11.044   4.4456  213.984   55.694  180.337   43.688 33.64645 70.78477 
1 1 1    6   26   26 o   93.404   31.808  -3.8784   4.7832  -1.2550   7.7872  -5.4679   6.0614  103.412   49.059   83.396   40.500 20.01618 63.61670 
1 1 1    6   26   28 o  101.175   29.952   3.8014   2.7416   2.8101   5.8237   4.0836   3.1075   99.832   45.657  102.518   38.779 -2.685738 59.90341 
1 1 1    6   26   30 o   79.565   27.786  -2.4139   4.2426  -5.1678   5.3428   2.2866   6.9801   69.282   34.466   89.848   43.594 -20.56690 55.57284 
1 1 1    6   27    1 o  458.772   18.169   60.577   4.7536   60.915   6.7239   60.239   6.7213  460.063   25.628  457.481   25.762 2.582031 36.33838 
1 1 1    6   27    3 o  589.198   33.317  100.583   11.195   0.0000   0.0000  100.583   11.195  ?   ?   589.198   33.317      ?      ? 
1 1 1    6   27    5 o  271.553   54.419   22.662   8.1338   0.0000   0.0000   22.662   8.1338  ?   ?   271.553   54.419      ?      ? 
1 1 1    6   27    7 o  377.232   28.269   43.957   5.4410   36.166   9.7348   47.497   6.5615  349.100   48.897  405.363   28.384 -56.26233 56.53829 
1 1 1    6   27    9 o  314.410   34.792   34.565   4.5893   22.685   9.7631   37.935   5.1995  266.329   64.879  362.492   25.152 -96.16367 69.58408 
1 1 1    6   27   11 o  276.762   33.777   22.023   4.2304   25.628   9.4395   21.117   4.7322  284.190   60.120  269.335   30.809 14.85468 67.55495 
1 1 1    6   27   13 o  283.003   34.697   23.722   4.3552   26.456   9.8706   23.061   4.8532  285.156   62.428  280.849   30.301 4.307678 69.39330 
1 1 1    6   27   15 o  346.059   17.020   34.855   3.3522   37.854   4.8001   32.000   4.6836  360.801   23.328  331.316   24.788 29.48563 34.03931 
1 1 1    6   27   17 o  102.403   33.952  -5.3580   5.0133 -13.1567   8.9240  -1.7618   6.0600   99.429   48.478  105.377   47.548 -5.948570 67.90380 
1 1 1    6   27   19 o  196.962   40.184   13.807   4.8855   17.329   6.9327   10.332   6.8859  222.252   54.996  171.672   58.604 50.57977 80.36799 
1 1 1    6   27   21 o   87.035   27.934  -1.4699   3.0448  -2.9712   4.3655  -0.0479   4.2487   81.216   37.966   92.855   40.984 -11.63926 55.86699 
1 1 1    6   27   25 o  133.207   42.367   7.8768   6.7503   9.0224   9.5663   6.7407   9.5267  136.776   60.876  129.638   58.941 7.137604 84.73445 
1 1 1    6   27   27 o   87.168   27.765   0.4951   3.1589   3.6511   4.0815  -4.2192   4.9885  100.059   42.091   74.277   36.221 25.78244 55.53072 
1 1 1    6   27   29 o   74.419   25.705  -2.8868   3.6056   1.2050   5.1679  -6.7678   5.0331   83.991   39.881   64.847   32.444 19.14479 51.41088 
1 1 1    6   28    0 o  279.839   24.719   23.575   5.3434   23.575   5.3434   23.575   5.3434  279.839   34.957  279.839   34.957 -0.000000 0.000000 
1 1 1    6   28    2 o  658.682   23.948  126.136   8.9336  146.804   12.926  107.235   12.361  711.050   31.876  606.314   35.749 104.7357 47.89650 
1 1 1    6   28    4 o  411.759   27.493   48.878   6.3992   57.409   9.8449   42.637   8.4206  442.282   39.032  381.237   38.731 61.04495 54.98701 
1 1 1    6   28    6 o  126.183   45.235   4.1148   4.1341   0.0000   0.0000   4.1148   4.1341  ?   ?   126.183   45.235      ?      ? 
1 1 1    6   28    8 o  204.347   41.072   13.059   4.7998   12.929   8.5528   13.119   5.7990  203.634   65.149  205.060   50.032 -1.426025 82.14340 
1 1 1    6   28   10 o  150.331   37.130   1.4569   3.5801   14.832   8.2844  -1.6146   3.9699  214.409   63.354   86.252   38.741 128.1563 74.25997 
1 1 1    6   28   12 o  295.963   34.231   27.975   3.7959   26.042   10.070   28.296   4.0982  279.559   64.481  312.367   23.005 -32.80811 68.46172 
1 1 1    6   28   14 o  183.693   44.210   9.7982   5.3573   15.872   9.2923   6.7741   6.5567  213.768   67.856  153.619   56.688 60.14893 88.41930 
1 1 1    6   28   16 o  125.215   38.756   0.9707   5.1183  -1.7744   9.0093   2.2789   6.2194  126.583   57.462  123.848   52.021 2.735237 77.51178 
1 1 1    6   28   18 o  114.372   31.676   3.2288   3.0031   3.3775   4.1087   3.0581   4.4004  114.605   44.280  114.139   45.308 0.4663315 63.35249 
1 1 1    6   28   20 o  112.199   32.388   2.2566   3.6407   5.4784   4.4370  -4.3820   6.3691  129.685   46.819   94.713   44.765 34.97193 64.77579 
1 1 1    6   28   24 o  153.670   37.474   10.142   4.6985   2.4846   6.6423   17.810   6.6470  109.423   49.539  197.917   56.242 -88.49488 74.94878 
1 1 1    6   28   26 f   93.666   30.056   1.9757   3.1997   2.4874   6.1924   1.7894   3.7373   99.475   46.062   87.856   38.622 11.61911 60.11102 
1 1 1    6   28   28 o   94.039   28.543   3.9083   2.7895   5.4149   3.9764   2.4485   3.9142  102.549   42.207   85.530   38.438 17.01938 57.08654 
1 1 1    6   29    3 o  293.772   30.676   25.977   4.6092   25.839   8.2429   26.040   5.5596  288.845   51.951  298.700   32.638 -9.854706 61.35212 
1 1 1    6   29    5 o  218.344   38.222   13.827   4.4659   19.043   8.1124   11.559   5.3494  244.231   58.923  192.458   48.699 51.77232 76.44305 
1 1 1    6   29    7 o  563.739   26.546   92.319   8.5345   0.0000   0.0000   92.319   8.5345  ?   ?   563.739   26.546      ?      ? 
1 1 1    6   29    9 o  181.982   37.277   10.440   3.4114   9.0198   8.6825   10.699   3.7098  176.891   65.242  187.074   36.081 -10.18300 74.55444 
1 1 1    6   29   11 o  499.040   15.494   72.571   4.3815   75.007   5.9364   69.656   6.4938  508.848   20.457  489.233   23.275 19.61511 30.98758 
1 1 1    6   29   13 o  352.172   19.415   36.631   3.8886   33.281   5.4525   40.100   5.5473  335.303   28.514  369.041   26.358 -33.73874 38.83053 
1 1 1    6   29   15 o  148.918   34.578   7.9117   3.5479  -2.8720   9.1933   9.7989   3.8459  123.251   56.733  174.585   39.545 -51.33393 69.15521 
1 1 1    6   29   17 o  208.580   44.506   16.690   5.5984   16.529   9.7646   16.769   6.8330  201.552   69.746  215.607   55.304 -14.05464 89.01137 
1 1 1    6   29   19 o  125.121   56.501   1.2884   8.5762   0.0000   0.0000   1.2884   8.5762  ?   ?   125.121   56.501      ?      ? 
1 1 1    6   29   23 f  132.514   34.641   6.6905   3.0678   5.8343   3.4845   9.6412   6.4689  123.344   41.691  141.685   55.333 -18.34140 69.28116 
1 1 1    6   29   25 o  106.465   32.871   2.0387   4.3841  -7.0582   6.2344   10.938   6.1664   75.932   37.683  136.997   53.871 -61.06514 65.74198 
1 1 1    6   29   27 o  111.364   35.123   9.1925   4.5296   9.6410   6.4589   8.7585   6.3540  112.885   50.143  109.844   49.197 3.041611 70.24682 
1 1 1    6   30    2 o  466.332   27.748   65.069   7.3383   69.715   10.134   59.947   10.640  485.193   36.626  447.470   41.695 37.72296 55.49684 
1 1 1    6   30    4 o  242.216   34.874   17.634   4.3578   20.970   7.9482   16.201   5.2108  255.005   56.172  229.428   41.347 25.57648 69.74869 
1 1 1    6   30    6 o  146.343   37.041   5.8677   3.3036   5.0411   8.0392   6.0357   3.6237  152.531   61.015  140.155   42.014 12.37605 74.08102 
1 1 1    6   30    8 o  490.132   28.340   70.621   7.9214   0.0000   0.0000   70.621   7.9214  ?   ?   490.132   28.340      ?      ? 
1 1 1    6   30   10 o  300.586   33.375   27.003   4.8010   32.063   9.8628   25.432   5.4961  309.602   57.992  291.569   33.054 18.03256 66.75014 
1 1 1    6   30   12 o  277.307   35.388   26.257   3.5666   23.439   9.8518   26.682   3.8261  252.708   67.198  301.907   22.222 -49.19920 70.77674 
1 1 1    6   30   14 o  239.949   36.855   20.781   3.4437   17.703   9.7402   21.221   3.6815  212.150   69.655  267.749   24.111 -55.59850 73.71004 
1 1 1    6   30   16 o   92.279   28.864  -0.4800   2.9502   1.3146   4.6605  -1.6800   3.8110  103.927   44.397   80.631   36.897 23.29620 57.72788 
1 1 1    6   30   18 o  100.714   45.149   0.0001   5.3646   0.0000   0.0000   0.0001   5.3646  ?   ?   100.714   45.149      ?      ? 
1 1 1    6   30   20 o  137.725   48.842   7.3388   4.8073   0.0000   0.0000   7.3388   4.8073  ?   ?   137.725   48.842      ?      ? 
1 1 1    6   30   22 o  111.821   34.596   3.1835   4.4411   7.9154   6.2776  -1.5574   6.2836  130.651   53.315   92.992   44.102 37.65852 69.19182 
1 1 1    6   30   24 o  118.627   35.726   7.1690   4.5035   2.5530   6.3717   11.777   6.3663   98.557   46.003  138.698   54.674 -40.14101 71.45299 
1 1 1    6   30   26 o   82.431   28.331  -0.6672   4.2760  -5.0387   6.0942   3.5719   6.0012   73.000   36.395   91.863   43.429 -18.86250 56.66272 
1 1 1    6   31    1 o  472.127   19.359   65.389   5.2116   66.839   7.3853   63.950   7.3554  477.465   27.123  466.789   27.631 10.67599 38.71819 
1 1 1    6   31    3 o  724.326   25.099  157.434   10.337  168.632   14.506  145.880   14.735  752.148   33.818  696.503   37.097 55.64502 50.19860 
1 1 1    6   31    5 f  594.117   13.499  102.032   4.3889  102.844   7.3259  101.577   5.4814  594.686   21.601  593.549   16.194 1.136475 26.99722 
1 1 1    6   31    7 o  470.732   16.320   64.781   4.3688   64.863   5.9628   64.686   6.4194  471.496   22.176  469.967   23.952 1.529022 32.64101 
1 1 1    6   31    9 o  573.071   26.881   97.277   8.7853   0.0000   0.0000   97.277   8.7853  ?   ?   573.071   26.881      ?      ? 
1 1 1    6   31   11 o  427.240   15.427   53.512   3.6130   53.918   5.9999   53.281   4.5255  426.797   24.651  427.682   18.554 -0.8854675 30.85316 
1 1 1    6   31   13 o  274.449   36.474   25.052   4.4940   27.416   9.9530   24.447   5.0367  266.110   65.924  282.788   31.231 -16.67783 72.94816 
1 1 1    6   31   15 o  298.340   44.833   34.902   7.3937   36.343   10.504   33.487   10.409  306.203   62.273  290.478   64.514 15.72577 89.66610 
1 1 1    6   31   19 o  112.507   52.963  -0.0106   8.7552   0.0000   0.0000  -0.0106   8.7552  ?   ?   112.507   52.963      ?      ? 
1 1 1    6   31   21 o  135.619   36.408   7.5524   4.1193   14.587   6.4631   2.7397   5.3459  168.663   56.780  102.574   45.588 66.08911 72.81633 
1 1 1    6   31   23 o   80.965   26.228   0.2971   2.8169   2.2154   3.8234  -1.9801   4.1658   88.757   39.040   73.172   35.036 15.58472 52.45617 
1 1 1    6   31   25 o   90.789   30.434   2.8813   4.3032   7.2547   6.1416  -1.3364   6.0313  102.623   46.916   78.954   38.778 23.66951 60.86710 
1 1 1    6   32    0 o  525.422   18.158   80.568   7.6527   80.568   7.6527   80.568   7.6527  525.422   25.679  525.422   25.679 -0.000000 0.000000 
1 1 1    6   32    2 o  426.219   26.997   60.095   5.8242   43.417   9.9706   68.734   7.1758  369.743   47.285  482.695   26.068 -112.9524 53.99474 
1 1 1    6   32    4 o  518.731   27.901   83.081   8.2497   79.618   11.559   86.677   11.778  507.204   39.962  530.258   38.948 -23.05426 55.80213 
1 1 1    6   32    6 o  142.863   40.005   5.3669   4.6677   5.7326   7.9748   5.1763   5.7568  148.970   60.352  136.756   52.528 12.21414 80.00993 
1 1 1    6   32    8 o  137.501   39.957   3.8022   4.8198   7.5151   8.2503   1.8785   5.9385  156.865   62.111  118.137   50.283 38.72797 79.91343 
1 1 1    6   32   10 f  208.449   48.716   14.951   5.6871   0.0000   0.0000   14.951   5.6871  ?   ?   208.449   48.716      ?      ? 
1 1 1    6   32   12 o  359.307   31.409   42.829   5.6405   42.591   10.752   42.919   6.6255  345.586   54.554  373.027   31.145 -27.44110 62.81848 
1 1 1    6   32   14 o  113.473   35.009   2.2581   3.4013   1.9140   8.5903   2.3221   3.7040  125.804   56.702  101.143   41.077 24.66089 70.01743 
1 1 1    6   32   16 o  174.380   45.901   11.319   4.6270   0.0000   0.0000   11.319   4.6270  ?   ?   174.380   45.901      ?      ? 
1 1 1    6   32   18 o  206.422   37.738   18.721   4.0280   18.696   9.6758   18.727   4.4301  176.064   67.973  236.780   32.808 -60.71585 75.47623 
1 1 1    6   32   20 o  160.301   33.909   11.351   3.1463   11.043   3.5873   12.378   6.5495  171.273   37.745  149.330   56.344 21.94307 67.81819 
1 1 1    6   32   22 o   82.842   28.450  -1.8420   4.2325  -0.8241   6.0192  -2.8375   5.9527   85.335   41.181   80.349   39.266 4.986374 56.90056 
1 1 1    6   32   24 o   76.678   25.823   0.3539   3.1067  -0.2978   4.3054   1.0617   4.4872   74.113   35.521   79.242   37.490 -5.129883 51.64583 
1 1 1    6   33    1 o  193.542   31.195   15.349   3.1050   5.5658   7.0858   17.674   3.4543  142.942   57.246  244.142   24.810 -101.2001 62.39079 
1 1 1    6   33    3 o  197.808   37.661   14.117   4.2604   12.037   7.5208   15.100   5.1699  181.628   61.250  213.988   43.838 -32.36018 75.32122 
1 1 1    6   33    5 o  268.197   33.585   23.563   4.3844   24.837   8.5514   23.108   5.1067  261.807   58.722  274.587   32.611 -12.78064 67.16981 
1 1 1    6   33    7 o  196.205   42.430   14.538   5.0809   14.490   8.6545   14.563   6.2764  191.358   65.694  201.053   53.718 -9.694977 84.86038 
1 1 1    6   33    9 o  458.577   32.478   70.887   8.3898   82.263   11.917   59.707   11.814  501.354   41.679  415.799   49.822 85.55478 64.95644 
1 1 1    6   33   13 o   98.320   31.885  -0.4875   3.8603  -7.3025   8.2615   1.4161   4.3663   97.789   47.442   98.851   42.614 -1.062881 63.77070 
1 1 1    6   33   15 o  170.394   36.627   10.077   3.4532   0.0000   0.0000   10.077   3.4532  ?   ?   170.394   36.627      ?      ? 
1 1 1    6   33   17 o  116.866   37.310   4.5038   5.0994   5.3957   8.7635   4.0472   6.2703  121.185   55.637  112.547   49.726 8.638405 74.62061 
1 1 1    6   33   19 o  128.146   35.416   7.2846   5.2025  -9.8969   8.9227   16.134   6.4036   85.243   42.729  171.049   56.494 -85.80622 70.83262 
1 1 1    6   33   21 o  100.748   32.697   4.3174   4.4409   8.7825   6.2632  -0.1972   6.2978  115.355   50.370   86.141   41.703 29.21346 65.39363 
1 1 1    6   34    0 o  250.865   26.542   20.008   5.0158   20.008   5.0158   20.008   5.0158  250.865   37.536  250.865   37.536 -0.000000 0.000000 
1 1 1    6   34    2 o  390.689   25.298   46.772   5.4005   53.016   9.2352   43.527   6.6574  405.335   39.952  376.043   31.044 29.29211 50.59525 
1 1 1    6   34    4 o  396.234   24.815   51.303   3.9639   46.213   9.7591   52.308   4.3379  370.008   46.250  422.461   18.005 -52.45331 49.63081 
1 1 1    6   34    6 o  113.639   29.465   0.0881   3.0774  -5.8042   3.9404   9.3022   4.9275   66.732   32.465  160.546   49.182 -93.81385 58.93094 
1 1 1    6   34    8 o  120.954   36.048  -0.7809   4.1613   11.027   7.8094  -5.4632   4.9176  164.161   61.610   77.747   37.444 86.41405 72.09603 
1 1 1    6   34   10 o  143.955   40.673   5.1737   5.9223   15.780   8.4201  -5.2100   8.3314  185.221   64.728  102.689   49.270 82.53225 81.34650 
1 1 1    6   34   12 o  166.056   66.547   14.468   9.5824   0.0000   0.0000   14.468   9.5824  ?   ?   166.056   66.547      ?      ? 
1 1 1    6   34   14 o  105.347   50.365  -1.4839   8.5365   0.0000   0.0000  -1.4839   8.5365  ?   ?   105.347   50.365      ?      ? 
1 1 1    6   34   16 o   75.179   25.367  -2.8552   3.0000  -0.6265   4.5178  -4.6130   4.0122   83.749   38.973   66.610   32.483 17.13898 50.73479 
1 1 1    6   34   18 o   94.425   31.222   1.9618   3.9464  -1.0843   8.5863   2.7777   4.4436   94.723   46.471   94.127   41.711 0.5959473 62.44476 
1 1 1    6   34   20 o   75.980   26.284  -2.1231   3.6403  -2.6850   4.5790  -1.1578   6.0010   70.900   34.603   81.061   39.573 -10.16106 52.56812 
1 1 1    6   35    1 o  134.801   36.637   6.1114   3.8449   6.8602   6.4570   5.7000   4.7859  139.817   55.079  129.784   48.325 10.03328 73.27300 
1 1 1    6   35    3 o  107.413   32.882   1.8530   3.6333   0.3424   6.2617   2.6198   4.4611  107.484   48.431  107.342   44.491 0.1422272 65.76478 
1 1 1    6   35    5 o   99.499   31.223  -0.4212   3.8779  -8.2101   6.7415   3.4306   4.7408   85.925   41.947  113.073   46.258 -27.14783 62.44518 
1 1 1    6   35    7 o  157.401   37.038   10.586   4.3636   4.3323   7.8064   13.428   5.2626  126.927   55.807  187.875   48.711 -60.94820 74.07543 
1 1 1    6   35    9 o  288.536   32.917   28.000   3.4972   34.264   9.6116   27.044   3.7546  278.987   62.018  298.084   22.087 -19.09674 65.83356 
1 1 1    6   35   11 o  170.056   48.528   11.854   4.9379   0.0000   0.0000   11.854   4.9379  ?   ?   170.056   48.528      ?      ? 
1 1 1    6   35   13 o  157.320   65.118   16.812   9.5380   0.0000   0.0000   16.812   9.5380  ?   ?   157.320   65.118      ?      ? 
1 1 1    6   35   15 o   85.416   29.359  -1.2290   3.1227   1.6835   8.1194  -1.7346   3.3829  102.019   48.866   68.813   32.555 33.20591 58.71707 
1 1 1    6   35   17 o  102.642   34.392   3.5536   4.9926   11.770   8.5376  -0.7164   6.1547  119.806   54.971   85.479   41.345 34.32745 68.78395 
1 1 1    6   35   19 o   80.335   28.229  -1.9388   4.8991  -2.9340   8.2999  -1.4067   6.0692   81.980   41.110   78.689   38.698 3.291824 56.45819 
1 1 1    6   36    0 o   68.341   32.946  -1.5431   5.6104  -1.5431   5.6104  -1.5431   5.6104   68.341   46.592   68.341   46.592 0.000000 0.000000 
1 1 1    6   36    2 o  154.911   36.023   7.9137   3.8694   17.039   6.6105   3.1580   4.7723  200.907   55.738  108.915   45.649 91.99153 72.04586 
1 1 1    6   36    4 o   91.967   29.835  -0.2776   3.3716  -2.3332   6.3066   0.5451   3.9897   94.712   44.697   89.222   39.531 5.489510 59.67012 
1 1 1    6   36    6 o  118.768   30.415   5.3831   2.6081   0.3714   7.0085   6.1886   2.8099  105.403   48.876  132.133   36.213 -26.72931 60.82992 
1 1 1    6   36    8 o   89.494   29.267  -0.4930   3.4879  -6.4163   7.0164   1.4511   4.0198   86.733   42.437   92.254   40.316 -5.521751 58.53495 
1 1 1    6   36   10 o  122.872   49.409   6.6169   5.3021   0.0000   0.0000   6.6169   5.3021  ?   ?   122.872   49.409      ?      ? 
1 1 1    6   36   12 o   88.366   40.614   0.7069   4.6872   0.0000   0.0000   0.7069   4.6872  ?   ?    88.366   40.614      ?      ? 
1 1 1    6   36   14 o  122.074   28.419   7.7266   3.4457 -11.8746   8.7654   11.309   3.7474   79.441   40.140  164.707   40.240 -85.26610 56.83735 
1 1 1    6   36   16 o  129.915   31.965   8.9079   2.8415   9.9129   5.1983   8.4797   3.3933  124.601   49.313  135.230   40.684 -10.62842 63.92918 
1 1 1    6   37    1 o   79.502   27.031  -5.0795   3.7469 -10.8020   5.5149  -0.1730   5.1066   67.818   33.935   91.186   42.084 -23.36747 54.06189 
1 1 1    6   37    3 o   92.903   29.204   1.2702   2.2045   3.8555   6.0785   0.8787   2.3655  110.966   48.997   74.840   31.792 36.12606 58.40779 
1 1 1    6   37    5 o  145.180   33.632   10.359   3.8257   3.3705   7.3766   12.931   4.4744  110.594   50.875  179.766   44.001 -69.17137 67.26328 
1 1 1    6   37    7 o   88.124   27.750   1.2242   2.8051   0.7685   3.8027   1.7682   4.1547   84.560   37.953   91.689   40.496 -7.129562 55.50082 
1 1 1    6   37    9 o   98.909   44.038   3.0633   5.0112   0.0000   0.0000   3.0633   5.0112  ?   ?    98.909   44.038      ?      ? 
1 1 1    6   37   11 o  154.436   44.421   10.882   4.1219   0.0000   0.0000   10.882   4.1219  ?   ?   154.436   44.421      ?      ? 
1 1 1    6   37   13 o  150.154   40.508   10.038   3.5487   0.0000   0.0000   10.038   3.5487  ?   ?   150.154   40.508      ?      ? 
1 1 1    6   37   15 o  134.201   30.954   9.8786   3.1697   15.768   4.6250   4.6630   4.3526  174.203   45.909   94.199   41.535 80.00439 61.90896 
1 1 1    6   38    0 o   89.289   39.822   4.6225   6.0845   4.6225   6.0845   4.6225   6.0845   89.289   56.316   89.289   56.316 0.000000 0.000000 
1 1 1    6   38    2 o   83.372   27.805  -1.3646   2.7591   4.1389   5.7667  -2.9985   3.1421  105.071   46.977   61.673   29.759 43.39810 55.61015 
1 1 1    6   38    4 o  183.763   27.068   14.575   2.7952   18.478   3.5784   8.4658   4.4768  235.257   26.672  132.269   47.109 102.9878 54.13510 
1 1 1    6   38    6 o   96.875   31.443   2.6309   3.5693   4.9066   6.9249   1.8075   4.1652  105.536   48.813   88.215   39.647 17.32123 62.88555 
1 1 1    6   38    8 o   78.274   36.830  -0.2680   4.2242   0.0000   0.0000  -0.2680   4.2242  ?   ?    78.274   36.830      ?      ? 
1 1 1    6   38   10 o  146.857   37.021   10.946   3.2226   21.537   8.0720   8.9380   3.5148  155.096   61.428  138.618   41.339 16.47789 74.04295 
1 1 1    6   38   12 o  106.993   34.437   7.1037   3.9027   16.290   8.4782   4.6338   4.3962  119.564   54.831   94.421   41.682 25.14352 68.87498 
1 1 1    6   39    1 o   81.875   27.368   0.2950   3.0055  -0.3882   3.5270   2.1062   5.7429   72.710   34.033   91.040   42.869 -18.32967 54.73558 
1 1 1    6   39    3 o   97.786   25.797   3.7047   2.1301   6.3225   3.0231   1.1234   3.0018  119.263   38.788   76.310   34.022 42.95297 51.59491 
1 1 1    6   39    5 o   64.288   31.430  -3.3051   3.8254   0.0000   0.0000  -3.3051   3.8254  ?   ?    64.288   31.430      ?      ? 
1 1 1    6   39    7 o  126.336   43.918   8.5309   3.8738   0.0000   0.0000   8.5309   3.8738  ?   ?   126.336   43.918      ?      ? 
1 1 1    6   39    9 o   79.131   26.760   0.5010   3.6234  -7.1826   7.2903   3.0216   4.1756   72.628   36.687   85.633   38.968 -13.00520 53.52065 
1 1 1    6   40    0 o   53.939   25.519   0.3987   3.0739   0.3987   3.0739   0.3987   3.0739   53.939   36.089   53.939   36.089 -0.000000 0.000000 
1 1 1    6   40    2 o   90.114   28.229   4.0299   3.1051  -0.2177   6.3008   5.3924   3.5685   80.092   39.396  100.135   40.440 -20.04316 56.45752 
1 1 1    7    0    1 o  639.472   12.230  116.893   6.2972  116.893   6.2972  116.893   6.2972  639.472   17.296  639.472   17.296 -0.000000 0.000000 
1 1 1    7    0    3 o  647.135   15.109  119.861   7.8663  119.861   7.8663  119.861   7.8663  647.135   21.368  647.135   21.368 -0.000000 0.000000 
1 1 1    7    0    5 o  333.877   16.026   32.242   4.2698   32.242   4.2698   32.242   4.2698  333.877   22.664  333.877   22.664 0.000000 0.000000 
1 1 1    7    0    9 o  232.089   9.5678   15.521   1.7770   15.521   1.7770   15.521   1.7770  232.089   13.531  232.089   13.531 -0.000000 0.000000 
1 1 1    7    0   11 o  982.245   14.886  275.847   11.781  275.847   11.781  275.847   11.781  982.245   21.052  982.245   21.052 0.000000 0.000000 
1 1 1    7    0   13 o  976.447   10.485  272.310   8.2525  272.310   8.2525  272.310   8.2525  976.447   14.827  976.447   14.827 0.000000 0.000000 
1 1 1    7    0   15 o  712.096   8.8795  144.840   5.0960  144.840   5.0960  144.840   5.0960  712.096   12.558  712.096   12.558 0.000000 0.000000 
1 1 1    7    0   17 o  496.507   9.2878   70.496   3.7133   70.496   3.7133   70.496   3.7133  496.507   13.135  496.507   13.135 0.000000 0.000000 
1 1 1    7    0   19 o  419.963   9.1664   50.466   3.0980   50.466   3.0980   50.466   3.0980  419.963   12.963  419.963   12.963 0.000000 0.000000 
1 1 1    7    0   21 o  1155.44   23.924  383.025   22.250  383.025   22.250  383.025   22.250  1155.44   33.833  1155.44   33.833 -0.000000 0.000000 
1 1 1    7    0   23 o  1431.51   16.177  585.872   18.666  585.872   18.666  585.872   18.666  1431.51   22.877  1431.51   22.877 -0.000000 0.000000 
1 1 1    7    0   25 o  108.844   31.941   4.7830   2.7916   4.7830   2.7916   4.7830   2.7916  108.844   45.172  108.844   45.172 0.000000 0.000000 
1 1 1    7    0   27 o  353.970   16.275   36.318   4.6012   36.318   4.6012   36.318   4.6012  353.970   23.017  353.970   23.017 -0.000000 0.000000 
1 1 1    7    0   29 o   65.062   29.992  -0.2755   3.8278  -0.2755   3.8278  -0.2755   3.8278   65.062   42.415   65.062   42.415 0.000000 0.000000 
1 1 1    7    0   31 f  282.753   18.584   23.697   4.1537   23.697   4.1537   23.697   4.1537  282.753   26.281  282.753   26.281 -0.000000 0.000000 
1 1 1    7    0   33 o   83.573   33.710   2.9315   3.5629   2.9315   3.5629   2.9315   3.5629   83.573   47.673   83.573   47.673 0.000000 0.000000 
1 1 1    7    0   35 o   68.317   32.163  -0.4231   4.7793  -0.4231   4.7793  -0.4231   4.7793   68.317   45.485   68.317   45.485 -0.000000 0.000000 
1 1 1    7    0   39 o   79.476   34.523   3.8427   4.2771   3.8427   4.2771   3.8427   4.2771   79.476   48.823   79.476   48.823 -0.000000 0.000000 
1 1 1    7    1    0 o  199.172   16.979   11.802   2.6224   11.802   2.6224   11.802   2.6224  199.172   24.012  199.172   24.012 -0.000000 0.000000 
1 1 1    7    1    2 o  476.176   12.196   63.759   2.9173   62.748   3.3860   66.670   5.7471  469.027   12.659  483.325   20.851 -14.29715 24.39238 
1 1 1    7    1    4 o  647.948   18.390  119.068   6.4233  122.402   11.141  117.408   7.8614  654.544   29.847  641.352   21.494 13.19128 36.78048 
1 1 1    7    1    8 o  1035.26   15.417  306.023   9.1009  310.649   12.986  301.559   12.758  1042.94   21.833  1027.58   21.771 15.36780 30.83321 
1 1 1    7    1   10 o  2492.11   16.536  1767.23   23.051  1818.50   36.572  1733.44   29.692  2521.34   25.435  2462.88   21.140 58.46191 33.07268 
1 1 1    7    1   12 o  160.835   12.647   7.5533   1.1093   7.9993   1.4033   6.8105   1.8112  167.361   14.703  154.309   20.581 13.05223 25.29400 
1 1 1    7    1   14 o  652.865   9.8077  121.992   3.6101  123.343   4.7743  120.187   5.5167  657.189   12.739  648.541   14.916 8.648254 19.61533 
1 1 1    7    1   16 o  427.504   9.7996   52.159   2.3174   52.427   3.7715   51.997   2.9373  428.287   15.442  426.721   12.070 1.566650 19.59916 
1 1 1    7    1   18 o  603.809   9.6705  104.118   3.3272  104.185   4.8050  104.056   4.6118  603.977   13.950  603.641   13.397 0.3357544 19.34109 
1 1 1    7    1   20 o  455.398   10.326   59.177   2.6804   60.631   3.8616   57.825   3.7236  460.788   14.695  450.008   14.510 10.78006 20.65112 
1 1 1    7    1   22 o  808.435   19.515  189.263   8.5128  193.618   10.530  181.048   14.462  822.677   22.445  794.193   31.930 28.48334 39.03009 
1 1 1    7    1   24 o  861.710   14.437  211.687   7.0185  207.224   9.2281  217.811   10.810  851.179   19.011  872.242   21.731 -21.06256 28.87311 
1 1 1    7    1   26 o  319.451   16.333   29.272   2.9741   30.270   4.2894   28.348   4.1272  324.683   23.166  314.219   23.032 10.46426 32.66669 
1 1 1    7    1   28 o  396.520   14.605   45.229   3.2970   45.616   4.5434   44.800   4.7920  398.412   19.996  394.628   21.293 3.784302 29.21023 
1 1 1    7    1   30 o  146.588   30.812   6.5860   2.8694   4.2486   4.1572   8.7131   3.9656  126.039   45.342  167.136   41.732 -41.09745 61.62379 
1 1 1    7    1   32 o  104.781   31.395   1.1612   3.2044  -2.1455   5.9069   2.5403   3.8146  101.825   46.341  107.736   42.368 -5.910690 62.78945 
1 1 1    7    1   34 o   83.319   26.414  -1.4062   2.7213  -4.2255   3.9607   1.1148   3.7452   72.084   34.419   94.555   40.076 -22.47092 52.82798 
1 1 1    7    1   36 o   86.483   28.332  -2.8684   3.2898   2.3750   5.2582  -6.2409   4.2170  106.295   46.290   66.672   32.680 39.62325 56.66406 
1 1 1    7    1   38 f  116.466   36.509   4.4264   4.5394  -0.5682   5.4640   15.552   8.1552   86.609   41.090  146.323   60.359 -59.71426 73.01784 
1 1 1    7    2    1 o  417.734   14.910   49.804   3.5520   49.509   5.0236   50.099   5.0229  416.494   21.150  418.974   21.022 -2.479614 29.82021 
1 1 1    7    2    3 o  563.942   17.395   91.385   4.8227   91.961   5.5656   89.649   9.6620  567.719   17.190  560.164   30.245 7.554626 34.78912 
1 1 1    7    2    5 o  772.044   21.465  170.356   9.4492  166.987   13.366  173.722   13.360  764.395   30.661  779.693   30.047 -15.29889 42.92936 
1 1 1    7    2    9 o  699.417   13.997  139.763   5.4723  139.438   8.6362  139.980   7.0735  698.628   21.676  700.206   17.714 -1.578369 27.99371 
1 1 1    7    2   11 o  662.621   11.358  125.936   4.2091  122.555   6.5888  128.267   5.4710  654.968   17.640  670.274   14.313 -15.30560 22.71609 
1 1 1    7    2   13 o  798.293   11.542  181.932   5.2281  184.102   7.8168  180.175   7.0325  802.509   17.080  794.077   15.529 8.431946 23.08428 
1 1 1    7    2   15 o  353.919   11.214   35.880   2.2528   40.203   3.2058   31.664   3.1663  375.068   14.988  332.770   16.684 42.29742 22.42777 
1 1 1    7    2   17 o  149.497   14.408   6.1329   1.2009   7.7588   1.9664   5.1657   1.5166  164.632   20.944  134.361   19.793 30.27176 28.81651 
1 1 1    7    2   19 o  682.682   12.231  132.615   4.7033  136.747   7.2926  129.673   6.1542  691.640   18.489  673.723   16.018 17.91687 24.46221 
1 1 1    7    2   21 o  782.023   11.052  174.725   4.9268  177.837   6.9033  171.494   7.0337  789.146   15.339  774.901   15.916 14.24585 22.10491 
1 1 1    7    2   23 o  608.985   22.360  106.488   7.7638  105.051   10.844  107.999   11.121  604.797   31.440  613.174   31.802 -8.376343 44.71974 
1 1 1    7    2   25 o  198.460   25.001   12.022   2.5923   13.001   3.2262   10.239   4.3548  212.733   26.593  184.186   42.345 28.54710 50.00263 
1 1 1    7    2   27 o  389.645   17.664   43.364   3.8343   42.167   4.8923   45.270   6.1736  383.091   22.393  396.199   27.323 -13.10818 35.32728 
1 1 1    7    2   29 f  116.986   28.484   2.8583   2.5720  -0.4081   3.5355   6.5303   3.7485   87.450   38.021  146.521   42.424 -59.07105 56.96829 
1 1 1    7    2   31 o  283.005   21.098   23.719   3.3991   25.342   4.8136   22.105   4.8005  293.019   28.806  272.991   30.835 20.02798 42.19699 
1 1 1    7    2   33 o  121.901   30.928   4.0067   2.9181   6.8922   4.1598   1.2108   4.0947  144.134   45.361   99.668   42.055 44.46624 61.85693 
1 1 1    7    2   35 o  112.402   33.731   2.1368   3.6305   5.5295   6.1183   0.2929   4.5105  130.262   52.831   94.543   41.953 35.71973 67.46243 
1 1 1    7    2   37 o  117.181   33.602   5.5710   3.5333   3.3820   6.6437   6.4343   4.1723  109.648   49.602  124.714   45.343 -15.06589 67.20351 
1 1 1    7    2   39 f   92.337   30.375   3.0276   3.8648   3.4559   4.9416   2.3529   6.2022   93.290   42.429   91.384   43.478 1.905678 60.74974 
1 1 1    7    3    0 o  1563.22   16.154  697.621   20.356  697.621   20.356  697.621   20.356  1563.22   22.845  1563.22   22.845 0.000000 0.000000 
1 1 1    7    3    2 o  903.043   18.375  231.632   8.9562  236.679   15.472  229.089   10.983  910.196   29.807  895.890   21.498 14.30554 36.75078 
1 1 1    7    3    4 o  646.375   16.202  115.335   4.6162  113.158   5.0836  125.566   11.021  629.811   14.154  662.940   29.150 -33.12860 32.40468 
1 1 1    7    3    8 o  1095.57   31.354  343.473   19.589   0.0000   0.0000  343.473   19.589  ?   ?   1095.57   31.354      ?      ? 
1 1 1    7    3   10 o  1149.37   14.107  376.194   9.0564  383.800   14.404  371.223   11.646  1158.71   21.798  1140.03   17.913 18.67761 28.21442 
1 1 1    7    3   12 o  634.360   12.202  115.029   4.4135  117.141   6.2273  112.897   6.2560  640.228   17.056  628.492   17.454 11.73639 24.40407 
1 1 1    7    3   14 o  339.745   12.123   33.230   2.2606   33.855   2.8496   32.169   3.7130  344.221   14.516  335.268   19.420 8.952393 24.24559 
1 1 1    7    3   16 o  172.942   12.654   8.6790   1.2180   9.2086   1.5889   7.9243   1.8967  179.499   15.521  166.385   19.990 13.11426 25.30796 
1 1 1    7    3   18 o  566.186   9.2172   91.220   2.9267   93.218   4.5983   89.860   3.7945  571.313   14.113  561.058   11.859 10.25500 18.43433 
1 1 1    7    3   20 o  423.285   12.030   51.185   2.9040   51.614   4.1152   50.759   4.0985  425.053   16.977  421.517   17.050 3.536285 24.06039 
1 1 1    7    3   22 o  760.219   13.113  165.167   5.6849  165.036   8.0271  165.299   8.0524  759.918   18.522  760.520   18.566 -0.6018677 26.22561 
1 1 1    7    3   24 o  571.778   18.103   93.675   5.8905   85.506   8.1991  102.390   8.4682  545.941   26.335  597.615   24.847 -51.67371 36.20641 
1 1 1    7    3   26 o  136.958   22.686   5.1548   2.1819   10.593   3.0635  -0.4435   3.1084  191.740   28.017   82.176   35.689 109.5644 45.37202 
1 1 1    7    3   28 o   99.321   27.303   0.8598   2.3620   4.0810   3.6543  -1.4515   3.0955  122.937   42.660   75.705   34.088 47.23191 54.60641 
1 1 1    7    3   30 o  200.652   24.945   14.356   2.5908   21.021   3.3931   5.0367   4.0120  269.382   22.087  131.922   44.734 137.4600 49.88955 
1 1 1    7    3   32 o  182.490   30.124   10.801   3.0791   10.163   4.3003   11.473   4.4108  176.639   43.076  188.342   42.121 -11.70302 60.24774 
1 1 1    7    3   34 o   78.161   24.871  -1.9777   2.4329   1.2661   3.6076  -4.6833   3.2948   94.122   39.582   62.201   30.125 31.92113 49.74192 
1 1 1    7    3   36 o   75.455   25.532  -5.2652   3.1205   0.0062   4.7181  -9.3643   4.1605   91.819   41.643   59.090   29.554 32.72876 51.06482 
1 1 1    7    3   38 f  102.540   30.796   3.9141   3.0415   2.6502   3.8306   6.0704   5.0033   92.295   39.851  112.784   46.962 -20.48896 61.59148 
1 1 1    7    4    1 o  247.762   15.353   17.522   2.1693   17.477   3.0688   17.567   3.0669  247.443   21.747  248.082   21.678 -0.6393890 30.70604 
1 1 1    7    4    3 o  1646.60   16.314  774.078   15.320  771.190   21.668  776.964   21.663  1643.53   23.118  1649.68   23.026 -6.150146 32.62869 
1 1 1    7    4    5 o  535.963   18.226   82.467   5.2140   83.246   6.3572   80.868   9.1136  540.015   20.643  531.911   30.044 8.103821 36.45216 
1 1 1    7    4    7 o  737.366   20.806  155.161   8.7383  145.166   12.075  166.150   12.661  712.465   29.720  762.268   29.125 -49.80273 41.61155 
1 1 1    7    4    9 o  841.949   15.430  202.608   7.4072  207.183   10.478  198.039   10.472  851.470   21.579  832.428   22.060 19.04181 30.85941 
1 1 1    7    4   11 o  404.154   7.5334   46.611   1.7361   46.592   2.4354   46.631   2.4755  404.074   10.569  404.235   10.738 -0.1613770 15.06681 
1 1 1    7    4   13 o  1213.92   11.443  421.203   7.9215  418.792   11.217  423.602   11.188  1210.44   16.249  1217.40   16.115 -6.955078 22.88561 
1 1 1    7    4   15 o  467.420   8.3762   61.762   2.1870   59.443   2.7983   65.401   3.5056  456.318   10.753  478.523   12.846 -22.20486 16.75242 
1 1 1    7    4   17 o  224.474   14.912   14.346   1.8277   14.693   3.0817   14.158   2.2699  226.435   23.865  222.513   17.888 3.921417 29.82486 
1 1 1    7    4   19 o  811.307   10.172  188.247   4.6906  184.205   6.8809  191.756   6.4112  803.106   15.024  819.509   13.718 -16.40308 20.34439 
1 1 1    7    4   21 o  601.086   12.646  103.412   4.2976  101.810   6.4932  104.661   5.7329  596.854   19.077  605.319   16.607 -8.464600 25.29261 
1 1 1    7    4   23 o  515.401   16.214   76.032   4.7643   78.606   6.7866   73.530   6.6900  524.021   22.710  506.782   23.148 17.23911 32.42777 
1 1 1    7    4   25 o  110.718   30.453   1.7859   2.7392   0.4438   3.4744   3.9902   4.4528   92.914   38.947  128.523   46.825 -35.60993 60.90508 
1 1 1    7    4   27 o  194.946   22.572   11.079   2.4323   13.358   3.6101   9.1849   3.2914  214.942   29.451  174.951   34.215 39.99167 45.14484 
1 1 1    7    4   29 o   71.322   22.969  -1.7273   2.0581  -1.9871   2.8862  -1.4585   2.9357   69.541   31.928   73.104   33.030 -3.563385 45.93866 
1 1 1    7    4   31 o   93.297   26.983  -2.0130   2.5404  -5.7800   3.1776   4.6591   4.2289   58.447   28.589  128.148   45.771 -69.70085 53.96576 
1 1 1    7    4   33 o   93.730   28.604   0.1683   2.8325   1.9273   4.1188  -1.4100   3.9015  104.086   42.911   83.373   37.834 20.71327 57.20831 
1 1 1    7    4   35 o  103.158   26.956   0.0238   2.8230  -7.4733   3.9912   7.5300   3.9936   62.178   30.730  144.137   44.297 -81.95947 53.91251 
1 1 1    7    4   37 o   75.289   24.826  -2.1466   2.6986  -5.1744   3.7411   1.1379   3.8964   62.642   30.720   87.936   39.008 -25.29404 49.65276 
1 1 1    7    4   39 o   82.670   28.401  -0.5931   4.1545  -2.2287   5.5177   1.5479   6.3129   76.912   37.633   88.428   42.547 -11.51643 56.80151 
1 1 1    7    5    0 o  353.255   15.112   35.991   4.2693   35.991   4.2693   35.991   4.2693  353.255   21.371  353.255   21.371 0.000000 0.000000 
1 1 1    7    5    2 o  1536.25   19.765  677.126   16.303  682.937   19.985  665.570   28.186  1546.64   22.658  1525.86   32.391 20.77930 39.52912 
1 1 1    7    5    4 o  1091.86   15.273  340.361   9.5099  342.855   13.451  337.869   13.447  1095.87   21.524  1087.86   21.675 8.007080 30.54601 
1 1 1    7    5    6 o  1910.21   33.637  1044.22   36.643  1044.22   36.643   0.0000   0.0000  1910.21   33.637  ?   ?       ?      ? 
1 1 1    7    5    8 o  856.099   14.655  209.616   7.1132  211.668   9.5822  207.096   10.616  860.863   19.518  851.335   21.867 9.528198 29.31055 
1 1 1    7    5   10 o  748.729   11.599  159.648   4.9012  163.289   7.5311  156.973   6.4553  756.031   17.467  741.428   15.267 14.60309 23.19878 
1 1 1    7    5   12 f  510.322   16.080   74.543   4.6701   81.260   6.6997   68.195   6.5132  532.736   22.052  487.907   23.408 44.82925 32.15950 
1 1 1    7    5   14 o  335.502   11.281   31.700   1.9386   33.264   3.7043   31.110   2.2750  340.934   19.052  330.070   12.086 10.86417 22.56218 
1 1 1    7    5   16 o  574.498   10.781   93.830   3.2526   95.548   5.9134   93.085   3.8947  578.013   17.939  570.982   11.961 7.030945 21.56105 
1 1 1    7    5   18 o  801.806   10.393  183.288   4.7343  187.315   7.0390  179.961   6.3975  809.784   15.242  793.827   14.132 15.95715 20.78533 
1 1 1    7    5   20 o  385.208   11.300   42.488   2.4044   42.821   3.0492   41.941   3.9096  387.287   13.806  383.129   17.894 4.157562 22.60051 
1 1 1    7    5   22 o  804.132   14.341  183.804   6.5081  177.685   8.5440  192.261   10.045  788.422   19.002  819.841   21.484 -31.41901 28.68207 
1 1 1    7    5   24 o  490.245   12.952   69.006   3.6016   65.837   5.3033   71.718   4.9066  479.668   19.387  500.821   17.179 -21.15317 25.90338 
1 1 1    7    5   26 o  230.296   21.168   13.386   2.5668   10.611   3.0045   20.884   4.9384  191.902   27.453  268.690   32.228 -76.78818 42.33626 
1 1 1    7    5   28 o  266.634   17.731   20.088   2.6536   15.775   3.4994   25.923   4.0705  233.524   26.277  299.745   23.812 -66.22095 35.46111 
1 1 1    7    5   30 o  142.225   28.636   6.2420   2.4600   7.4487   3.5064   5.0724   3.4521  154.535   39.605  129.916   41.372 24.61852 57.27298 
1 1 1    7    5   32 o   94.154   27.304  -0.8575   2.7448  -5.8260   3.8548   4.2524   3.9092   66.877   32.437  121.430   43.930 -54.55335 54.60718 
1 1 1    7    5   34 o  126.416   33.349   5.1294   3.2906   3.3100   5.2347   6.3182   4.2312  117.199   48.353  135.633   45.940 -18.43454 66.69738 
1 1 1    7    5   36 o   99.322   27.292   1.2623   2.7170   6.5064   3.7915  -4.2736   3.8956  130.389   43.490   68.255   32.985 62.13404 54.58347 
1 1 1    7    5   38 o   86.495   28.100   0.9890   3.2237  -0.8526   4.7880   2.5161   4.3600   80.822   38.379   92.169   41.054 -11.34765 56.19959 
1 1 1    7    6    1 o  577.003   14.819   95.040   4.8762   95.948   6.9048   94.136   6.8873  579.755   20.884  574.251   21.031 5.504333 29.63830 
1 1 1    7    6    3 o  187.415   15.273   10.027   1.6320   10.078   2.3350   9.9787   2.2819  187.875   21.793  186.954   21.402 0.9205322 30.54515 
1 1 1    7    6    5 o  1097.20   21.514  344.285   13.462  344.156   19.029  344.415   19.046  1096.99   30.416  1097.41   30.434 -0.4099121 43.02747 
1 1 1    7    6    7 o  714.093   21.701  145.682   8.8377  145.682   8.8377   0.0000   0.0000  714.093   21.701  ?   ?       ?      ? 
1 1 1    7    6    9 f  346.782   15.571   30.166   1.9346   29.093   2.0361   40.133   6.2035  319.304   11.182  374.259   29.065 -54.95477 31.14192 
1 1 1    7    6   11 o  597.197   13.557  100.706   4.3933   97.942   5.3989  106.124   7.5584  585.469   16.170  608.925   21.766 -23.45587 27.11491 
1 1 1    7    6   13 o  846.942   15.877  205.540   7.6685  205.228   10.813  205.856   10.877  846.305   22.404  847.579   22.503 -1.274780 31.75403 
1 1 1    7    6   15 o  461.679   10.671   60.776   2.5071   60.611   2.9414   61.214   4.7939  460.765   11.194  462.594   18.172 -1.828979 21.34284 
1 1 1    7    6   17 o  445.915   10.366   56.192   2.5982   53.430   3.3644   60.271   4.0895  432.541   13.639  459.289   15.613 -26.74731 20.73163 
1 1 1    7    6   19 o  380.983   10.851   43.576   2.2067   34.626   3.6153   48.890   2.7858  348.086   18.212  413.880   11.803 -65.79401 21.70247 
1 1 1    7    6   21 o  805.939   12.668  184.779   5.8084  173.853   7.8881  197.719   8.5848  780.047   17.732  831.831   18.097 -51.78473 25.33612 
1 1 1    7    6   23 o  368.103   14.534   37.462   2.9674   33.567   3.7128   44.351   4.9373  342.598   19.003  393.608   21.995 -51.01065 29.06746 
1 1 1    7    6   25 o  326.754   17.631   30.905   3.2008   29.612   5.0818   31.755   4.1209  320.751   27.782  332.756   21.716 -12.00528 35.26187 
1 1 1    7    6   27 o  230.613   19.183   15.436   2.5107   14.125   3.6178   16.654   3.4871  220.942   28.712  240.284   25.448 -19.34236 38.36626 
1 1 1    7    6   29 o   96.926   25.260  -0.4201   2.1331  -3.6318   2.6473   5.5262   3.6021   58.185   27.879  135.668   42.132 -77.48260 50.52077 
1 1 1    7    6   31 o   91.744   27.380   0.7151   2.4232  -0.0112   3.9166   1.1656   3.0844   92.456   40.107   91.032   37.285 1.424126 54.76068 
1 1 1    7    6   33 o  132.047   32.738   4.7241   3.2010   9.1716   5.0149   1.6663   4.1582  161.832   49.623  102.263   42.717 59.56854 65.47666 
1 1 1    7    6   35 o   71.144   24.155  -3.8897   2.7364  -4.0497   4.4720  -3.7940   3.4597   76.220   36.444   66.068   31.713 10.15159 48.30965 
1 1 1    7    6   37 o   87.221   28.209   0.3420   3.1996   1.7930   4.2114  -1.6391   4.9207   92.018   40.700   82.423   39.072 9.594673 56.41873 
1 1 1    7    6   39 o   88.211   29.236   2.5891   3.7083   4.1977   5.3395   1.0902   5.1542   93.528   43.119   82.893   39.493 10.63509 58.47164 
1 1 1    7    7    0 o  1579.41   16.170  712.278   20.587  712.278   20.587  712.278   20.587  1579.41   22.868  1579.41   22.868 -0.000000 0.000000 
1 1 1    7    7    2 o  1596.57   16.197  727.975   14.747  728.494   20.855  727.456   20.856  1597.15   22.897  1596.01   22.914 1.139771 32.39347 
1 1 1    7    7    4 o  961.093   18.389  264.260   9.5230  263.141   16.402  264.830   11.696  959.197   29.984  962.988   21.298 -3.791626 36.77824 
1 1 1    7    7    6 o  692.115   29.424  137.075   11.614   0.0000   0.0000  137.075   11.614  ?   ?   692.115   29.424      ?      ? 
1 1 1    7    7    8 o  382.918   17.300   44.607   2.4180   45.473   2.5852   38.557   6.8339  399.199   11.356  366.637   32.684 32.56265 34.60093 
1 1 1    7    7   10 o  880.375   16.172  222.233   7.8590  223.295   9.9496  220.471   12.815  883.620   19.744  877.131   25.619 6.489380 32.34493 
1 1 1    7    7   12 o  783.154   12.906  175.560   5.7499  173.602   8.4078  177.280   7.8809  778.956   18.927  787.352   17.552 -8.395020 25.81237 
1 1 1    7    7   14 o  499.321   12.775   71.320   3.6363   68.693   5.1153   74.004   5.1701  490.004   18.305  508.638   17.824 -18.63373 25.54922 
1 1 1    7    7   16 o  305.176   13.152   26.826   2.2102   25.891   3.5992   27.392   2.8003  300.751   20.985  309.601   15.860 -8.850098 26.30431 
1 1 1    7    7   18 o  685.206   10.484  133.684   4.0640  131.007   5.3916  137.204   6.1841  677.351   13.958  693.062   15.646 -15.71094 20.96726 
1 1 1    7    7   20 f  344.823   13.691   33.792   2.6844   36.636   3.9862   31.432   3.6311  358.017   19.524  331.628   19.200 26.38943 27.38260 
1 1 1    7    7   22 o  187.563   23.334   10.428   2.3720   10.965   3.0703   9.6316   3.7358  195.560   27.531  179.566   37.682 15.99416 46.66777 
1 1 1    7    7   24 o  921.982   13.497  242.755   7.0824  221.858   9.7869  265.730   10.262  880.344   19.494  963.619   18.674 -83.27411 26.99492 
1 1 1    7    7   26 o  184.071   32.045   9.1956   3.4464   4.8842   4.3477   16.486   5.6534  134.598   46.542  233.544   44.063 -98.94563 64.09097 
1 1 1    7    7   28 o  177.859   27.389   9.6635   2.6965   9.7580   3.7172   9.5586   3.9176  179.038   37.603  176.680   39.833 2.358002 54.77785 
1 1 1    7    7   30 o  181.812   25.649   9.9230   2.9918   0.8803   4.0783   20.460   4.4024  100.185   42.105  263.439   29.303 -163.2547 51.29873 
1 1 1    7    7   32 o   81.298   26.317  -1.9671   2.7367  -1.2816   4.0425  -2.5470   3.7183   86.043   38.828   76.553   35.534 9.489777 52.63401 
1 1 1    7    7   34 f  123.580   32.530   4.8970   3.0502   5.7012   4.6018   4.2667   4.0736  129.755   47.552  117.404   44.403 12.35055 65.05988 
1 1 1    7    7   36 o   85.594   28.025  -0.8511   3.2420  -1.1284   4.6291  -0.5842   4.5420   84.866   39.478   86.321   39.787 -1.455452 56.04944 
1 1 1    7    7   38 o   79.637   26.356  -0.1286   2.8974   1.8654   4.6305  -1.4117   3.7145   88.461   40.550   70.814   33.678 17.64679 52.71193 
1 1 1    7    8    1 o  432.609   14.862   53.450   3.6661   54.603   5.1859   52.298   5.1834  437.282   20.796  427.937   21.239 9.344360 29.72477 
1 1 1    7    8    3 o  1082.47   15.306  334.693   9.4488  336.816   13.363  332.569   13.362  1085.91   21.579  1079.03   21.714 6.878784 30.61295 
1 1 1    7    8    5 o  751.004   29.612  161.446   12.683   0.0000   0.0000  161.446   12.683  ?   ?   751.004   29.612      ?      ? 
1 1 1    7    8    7 o  636.928   17.627  115.016   6.0250  113.000   7.3354  119.196   10.563  628.786   20.456  645.070   28.713 -16.28357 35.25462 
1 1 1    7    8    9 o  345.600   16.334   32.531   1.9459   32.125   2.0473   36.327   6.2611  335.512   10.700  355.689   30.866 -20.17740 32.66843 
1 1 1    7    8   11 o  345.595   13.678   35.311   2.3554   36.619   2.7601   31.808   4.5182  358.061   13.517  333.128   23.783 24.93259 27.35533 
1 1 1    7    8   13 o   71.675   19.650   0.6953   1.2692  -1.9055   2.2776   1.8668   1.5286   60.428   27.965   82.923   27.612 -22.49548 39.29945 
1 1 1    7    8   15 o  363.457   11.020   37.624   2.2647   38.689   3.4567   36.824   2.9975  367.898   16.476  359.015   14.641 8.883331 22.04083 
1 1 1    7    8   17 o  977.850   12.466  273.154   6.9498  265.790   9.7056  280.904   9.9563  964.328   17.648  991.372   17.610 -27.04431 24.93167 
1 1 1    7    8   19 o  786.448   10.698  176.316   4.7878  172.244   6.5311  181.046   7.0395  776.678   14.745  796.218   15.503 -19.54004 21.39547 
1 1 1    7    8   21 o  109.454   24.214   3.3609   1.6930   4.1164   2.4540   2.6747   2.3388  118.481   34.332  100.428   34.155 18.05251 48.42738 
1 1 1    7    8   23 o  769.177   13.560  169.056   5.9391  156.451   8.2550  182.582   8.5511  739.437   19.576  798.917   18.768 -59.48065 27.11964 
1 1 1    7    8   25 o  521.261   13.313   77.788   3.9541   73.412   5.5157   82.414   5.6713  506.155   19.108  536.367   18.541 -30.21115 26.62503 
1 1 1    7    8   27 o  169.985   32.069   8.8648   3.1631   9.1705   4.6005   8.5908   4.3562  172.656   45.924  167.315   44.773 5.340912 64.13772 
1 1 1    7    8   29 o  164.014   29.854   7.7145   2.8203   5.1147   3.5596   12.099   4.6227  131.003   42.042  197.025   42.398 -66.02182 59.70884 
1 1 1    7    8   31 o   86.147   27.359  -1.1771   2.7860  -2.5913   4.4481  -0.2641   3.5739   85.540   39.407   86.754   37.961 -1.213989 54.71724 
1 1 1    7    8   33 o  110.696   27.647   2.5668   2.5488  -1.4430   3.5267   6.9513   3.6878   78.172   35.665  143.221   42.255 -65.04969 55.29471 
1 1 1    7    8   35 o  107.459   29.888   2.3734   3.0709   6.8928   4.3095  -2.2891   4.3772  134.424   46.345   80.494   37.752 53.92966 59.77504 
1 1 1    7    8   37 o  114.888   31.299   5.5672   2.9195   7.7608   4.4181   3.8668   3.8899  128.503   46.669  101.272   41.720 27.23151 62.59825 
1 1 1    7    8   39 o  106.790   31.806   5.6749   3.5584   13.887   5.5948   0.0964   4.6113  137.245   52.006   76.336   36.633 60.90920 63.61269 
1 1 1    7    9    0 o  1186.13   15.448  401.954   14.767  401.954   14.767  401.954   14.767  1186.13   21.847  1186.13   21.847 -0.000000 0.000000 
1 1 1    7    9    2 o  614.285   14.874  107.806   5.2099  109.796   7.3642  105.811   7.3717  619.973   20.829  608.597   21.240 11.37616 29.74818 
1 1 1    7    9    4 o  640.684   20.772  117.559   7.5852  112.787   10.706  122.368   10.748  627.578   29.914  653.790   28.827 -26.21234 41.54348 
1 1 1    7    9    6 o  631.462   16.679  112.587   4.9883  111.434   5.6404  116.727   10.687  624.689   15.833  638.235   29.362 -13.54669 33.35859 
1 1 1    7    9    8 o  894.269   21.746  229.625   11.090  228.369   15.715  230.870   15.652  891.805   30.900  896.734   30.606 -4.928955 43.49210 
1 1 1    7    9   10 o  469.155   15.753   63.137   4.2066   61.233   6.0849   64.880   5.8218  462.295   23.080  476.016   21.446 -13.72159 31.50596 
1 1 1    7    9   12 o  345.194   9.6493   32.888   1.8655   40.777   2.9999   27.913   2.3822  377.792   13.924  312.596   13.363 65.19550 19.29869 
1 1 1    7    9   14 o  498.615   12.579   68.951   3.0455   67.095   3.4668   75.228   6.3740  484.724   12.541  512.505   21.808 -27.78064 25.15718 
1 1 1    7    9   16 o  556.839   11.110   88.567   3.5277   90.039   5.0317   87.144   4.9471  561.387   15.717  552.291   15.707 9.096191 22.21991 
1 1 1    7    9   18 o  349.215   11.708   35.212   2.3061   31.204   3.3890   38.668   3.1470  330.453   17.983  367.977   14.996 -37.52417 23.41566 
1 1 1    7    9   20 f  237.091   15.771   15.621   2.0941   18.555   3.3741   13.784   2.6706  254.645   23.234  219.538   21.331 35.10780 31.54129 
1 1 1    7    9   22 o  410.791   16.184   48.845   3.7502   42.368   5.4511   54.665   5.1673  384.499   24.860  437.084   20.730 -52.58466 32.36899 
1 1 1    7    9   24 f  494.690   11.164   69.989   3.1495   70.194   4.4571   69.785   4.4511  495.415   15.776  493.966   15.801 1.449554 22.32786 
1 1 1    7    9   26 o  170.247   28.960   9.1588   2.9790   4.4617   4.5791   12.606   3.9226  132.191   47.584  208.303   33.021 -76.11244 57.91911 
1 1 1    7    9   28 o  169.076   34.301   8.6441   3.3202   8.2202   4.0313   9.5380   5.8540  162.962   42.819  175.191   53.597 -12.22916 68.60105 
1 1 1    7    9   30 o  102.597   29.701   0.9619   2.8396  -1.0406   3.7836   3.5442   4.2966   85.564   38.169  119.630   45.516 -34.06551 59.40130 
1 1 1    7    9   32 o   77.849   24.867  -1.1588   2.3309  -1.4258   3.1016  -0.8122   3.5332   73.566   33.518   82.132   36.743 -8.566368 49.73442 
1 1 1    7    9   34 o  162.520   31.750   9.9148   3.1615   7.0323   4.8125   12.103   4.1932  138.244   48.885  186.795   40.528 -48.55113 63.49992 
1 1 1    7    9   36 o   88.682   27.939   0.9883   2.8862  -0.4792   4.5260   1.9939   3.7468   85.172   39.418   92.191   39.606 -7.018341 55.87891 
1 1 1    7    9   38 o   81.406   26.708  -0.7672   2.8474   5.5864   4.8169  -4.1796   3.5301  103.108   44.603   59.704   29.391 43.40415 53.41589 
1 1 1    7   10    1 o  1852.75   16.801  981.577   17.751  984.292   25.106  978.863   25.103  1855.32   23.728  1850.19   23.791 5.137695 33.60123 
1 1 1    7   10    3 o  1265.79   22.012  459.387   15.882  475.080   22.455  443.678   22.467  1287.54   30.581  1244.04   31.668 43.50464 44.02341 
1 1 1    7   10    5 o  1000.19   30.778  286.939   17.556  286.939   17.556   0.0000   0.0000  1000.19   30.778  ?   ?       ?      ? 
1 1 1    7   10    7 o  542.850   14.913   84.314   4.6168   84.131   6.5394   84.495   6.5188  542.260   21.146  543.440   21.034 -1.179443 29.82626 
1 1 1    7   10    9 o  564.880   21.797   91.763   7.0215   92.720   9.9723   90.822   9.8882  567.805   30.796  561.955   30.855 5.849915 43.59402 
1 1 1    7   10   11 o  634.757   15.638  115.253   5.6560  120.874   8.1990  110.149   7.8125  649.496   22.136  620.017   22.095 29.47919 31.27575 
1 1 1    7   10   13 o  217.533   17.665   13.614   2.1425   13.771   2.7630   13.376   3.3929  219.253   22.097  215.814   27.568 3.438843 35.33076 
1 1 1    7   10   15 o  383.185   10.699   42.640   2.2613   44.972   2.9005   39.025   3.6111  396.869   12.815  369.501   17.137 27.36758 21.39859 
1 1 1    7   10   17 o  824.631   11.792  192.166   5.3860  202.916   8.8356  185.809   6.7944  842.617   18.387  806.644   14.770 35.97321 23.58452 
1 1 1    7   10   19 o  338.814   16.687   33.321   3.1440   30.509   4.9123   35.272   4.0919  326.384   26.392  351.244   20.428 -24.86008 33.37370 
1 1 1    7   10   21 o  504.862   12.220   72.416   3.5013   76.998   5.2726   68.801   4.6828  519.029   17.813  490.694   16.734 28.33438 24.44046 
1 1 1    7   10   23 o  623.559   11.973  111.230   4.2504  110.834   6.1914  111.584   5.8454  622.449   17.442  624.669   16.409 -2.219421 23.94692 
1 1 1    7   10   25 o  336.877   17.177   32.511   3.2817   28.016   4.4985   37.625   4.7980  311.964   25.285  361.790   23.255 -49.82599 34.35316 
1 1 1    7   10   27 o  131.043   40.309  -2.8728   4.8284  -5.5279   5.4828   6.3004   10.191   88.980   41.896  173.106   68.876 -84.12549 80.61767 
1 1 1    7   10   29 o  164.568   29.741   8.5445   2.8082   9.3522   3.9852   7.7478   3.9578  172.410   41.111  156.725   42.989 15.68427 59.48202 
1 1 1    7   10   31 o   90.149   26.147   1.2267   2.1353   1.3281   3.2285   1.1479   2.8469   92.833   38.098   87.464   35.822 5.368889 52.29433 
1 1 1    7   10   33 o  112.775   31.780   2.5519   2.8584   1.0654   3.3908   6.2017   5.3133   90.258   38.187  135.293   50.811 -45.03568 63.56088 
1 1 1    7   10   35 o  105.099   29.883   3.4680   2.7439   3.2563   3.9217   3.6710   3.8404  103.767   42.219  106.432   42.302 -2.664513 59.76529 
1 1 1    7   10   37 o  145.239   28.508   9.3106   2.4464   8.1560   4.4580   9.8082   2.9264  127.326   46.781  163.152   32.593 -35.82572 57.01561 
1 1 1    7   11    0 f  1436.88   15.896  590.040   18.411  590.040   18.411  590.040   18.411  1436.88   22.481  1436.88   22.481 -0.000000 0.000000 
1 1 1    7   11    2 o  1187.46   15.479  403.277   10.482  404.005   14.828  402.549   14.819  1188.53   21.877  1186.39   21.903 2.147461 30.95703 
1 1 1    7   11    6 o  782.387   14.974  175.165   6.6812  173.570   9.4347  176.769   9.4626  778.806   21.242  785.968   21.111 -7.161194 29.94871 
1 1 1    7   11    8 o  439.461   15.050   55.296   3.7697   57.872   5.3646   52.783   5.2983  449.602   20.923  429.320   21.640 20.28152 30.10077 
1 1 1    7   11   10 o  365.184   20.423   37.657   3.3402   39.466   7.7273   37.241   3.7042  369.560   36.665  360.809   18.002 8.750641 40.84564 
1 1 1    7   11   12 o  682.659   12.888  133.762   4.9981  126.520   7.2666  140.264   6.8855  664.949   19.162  700.368   17.239 -35.41858 25.77576 
1 1 1    7   11   14 o  739.182   14.185  155.815   5.7611  154.439   7.2215  158.223   9.5547  735.034   17.228  743.330   22.539 -8.296021 28.36917 
1 1 1    7   11   16 o  295.581   16.203   24.776   2.6981   26.425   4.2077   23.624   3.5162  303.792   24.287  287.370   21.456 16.42200 32.40693 
1 1 1    7   11   18 o  628.737   12.960  112.845   4.6441  116.220   6.7111  109.744   6.4331  637.739   18.453  619.734   18.202 18.00488 25.91944 
1 1 1    7   11   20 o  314.737   32.965   35.591   3.9687   20.556   9.1553   39.070   4.4040  259.883   62.532  369.590   20.895 -109.7076 65.93059 
1 1 1    7   11   22 o  343.791   15.350   34.111   2.9391   35.125   3.8023   32.604   4.6327  350.369   19.029  337.213   24.090 13.15619 30.69951 
1 1 1    7   11   24 o  376.801   15.313   39.302   3.2224   52.688   5.0876   30.334   4.1642  428.572   20.816  325.029   22.465 103.5431 30.62692 
1 1 1    7   11   26 o  490.817   18.617   69.511   5.1897   68.081   6.9990   71.258   7.7348  485.488   25.279  496.147   27.337 -10.65936 37.23348 
1 1 1    7   11   28 o  129.657   40.197   1.5205   4.5526  -9.1302   12.885   3.0399   4.8665  137.548   64.593  121.767   47.865 15.78074 80.39461 
1 1 1    7   11   30 o  214.328   23.617   13.028   2.7150   9.4360   3.3817   19.542   4.5539  173.492   35.378  255.164   31.294 -81.67174 47.23312 
1 1 1    7   11   32 o   68.007   22.697  -3.2930   2.3431  -1.6575   3.2208  -5.1317   3.4151   73.485   33.735   62.529   30.374 10.95700 45.39404 
1 1 1    7   11   34 o  127.948   28.988   3.9772   3.1445   11.855   4.5632  -3.1463   4.3391  178.463   44.880   77.434   36.702 101.0290 57.97666 
1 1 1    7   11   36 o  116.493   28.728   5.4660   2.3503   6.4549   3.4655   4.6238   3.1982  124.600   41.579  108.387   39.654 16.21233 57.45644 
1 1 1    7   11   38 o   86.447   26.598   1.3273   2.9414  -5.5675   4.4224   6.7969   3.9389   62.366   31.079  110.527   43.174 -48.16171 53.19687 
1 1 1    7   12    1 o  1240.10   15.568  440.086   11.010  438.508   15.570  441.665   15.570  1237.87   22.056  1242.33   21.977 -4.463989 31.13606 
1 1 1    7   12    5 o  1058.29   15.307  320.665   9.2372  314.712   13.064  326.616   13.062  1048.42   21.850  1068.15   21.444 -19.72437 30.61492 
1 1 1    7   12    7 o  530.823   14.831   80.692   4.4846   85.759   6.3841   75.757   6.3009  547.329   20.453  514.318   21.482 33.01141 29.66180 
1 1 1    7   12    9 o  176.298   27.783   9.6496   1.7032   8.1393   5.6581   9.8001   1.7861  167.472   52.927  185.124   16.918 -17.65170 55.56520 
1 1 1    7   12   11 o  671.437   17.435  128.999   4.4814  129.695   12.452  128.896   4.8033  671.039   32.539  671.835   12.537 -0.7966919 34.87016 
1 1 1    7   12   13 o  426.599   9.3990   51.937   2.2703   52.242   3.4257   51.698   3.0318  427.678   14.046  425.521   12.494 2.156891 18.79804 
1 1 1    7   12   15 o  599.793   11.088  102.525   3.5972  102.015   4.4281  103.514   6.1686  597.773   12.989  601.814   17.973 -4.040527 22.17588 
1 1 1    7   12   17 o  242.127   14.068   16.202   1.8338   18.428   3.2580   15.169   2.2186  253.813   22.508  230.441   16.882 23.37177 28.13612 
1 1 1    7   12   19 o  324.243   21.809   30.613   3.9508   37.382   5.5630   23.725   5.6120  361.182   27.008  287.305   34.251 73.87738 43.61861 
1 1 1    7   12   21 o  406.457   15.815   47.315   3.6658   47.560   5.2072   47.074   5.1614  407.497   22.407  405.417   22.324 2.080322 31.63004 
1 1 1    7   12   23 f  444.199   12.917   56.410   3.2070   56.989   5.0774   56.025   4.1366  445.907   19.967  442.491   16.393 3.415833 25.83393 
1 1 1    7   12   25 o  177.951   30.760   9.6884   3.0937   9.2841   4.2849   10.129   4.4714  174.108   43.328  181.793   43.675 -7.685181 61.52077 
1 1 1    7   12   27 o  333.964   30.520   32.268   5.3837   20.808   6.9369   49.624   8.5371  258.224   48.897  409.705   36.538 -151.4809 61.04018 
1 1 1    7   12   29 o  125.288   27.534   4.3003   2.5261   8.0584   3.4969   0.1990   3.6531  159.650   38.791   90.927   39.087 68.72269 55.06814 
1 1 1    7   12   31 o  114.659   30.993   3.4495   2.7784   2.9200   3.5819   4.2492   4.4021  107.256   41.372  122.063   46.160 -14.80704 61.98652 
1 1 1    7   12   33 o   66.144   22.766  -6.0591   2.8126  -3.3810   3.7834  -9.3673   4.2051   71.751   34.085   60.536   30.189 11.21571 45.53186 
1 1 1    7   12   35 o  119.003   28.243   5.4427   2.2418   5.6384   2.7955   5.0901   3.7525  123.288   36.889  114.719   42.775 8.569000 56.48511 
1 1 1    7   12   37 o   93.550   28.455   3.5419   2.7447   3.9566   3.8904   3.1309   3.8729   95.978   40.771   91.121   39.704 4.857674 56.90927 
1 1 1    7   13    0 o  936.026   15.172  250.714   11.440  250.714   11.440  250.714   11.440  936.026   21.457  936.026   21.457 -0.000000 0.000000 
1 1 1    7   13    4 o  308.977   15.242   27.341   2.6855   27.126   3.8115   27.552   3.7844  307.763   21.716  310.192   21.393 -2.428436 30.48374 
1 1 1    7   13    6 o  593.135   11.108  100.543   3.7571  102.243   5.3483   98.887   5.2791  598.087   15.680  588.182   15.738 9.904297 22.21637 
1 1 1    7   13    8 o  424.352   18.825   48.247   4.2154   60.951   7.9305   43.245   4.9766  460.246   30.215  388.458   22.464 71.78772 37.65070 
1 1 1    7   13   10 o  925.399   16.286  247.815   7.5544  240.332   14.643  250.529   8.8185  914.664   28.072  936.133   16.518 -21.46942 32.57151 
1 1 1    7   13   12 o  1056.03   18.149  315.192   9.3534  328.638   19.217  311.017   10.707  1069.10   31.519  1042.96   18.002 26.13672 36.29760 
1 1 1    7   13   14 o  887.701   14.701  226.675   7.3256  217.828   11.290  233.108   9.6272  872.389   22.694  903.013   18.694 -30.62354 29.40197 
1 1 1    7   13   16 o  843.930   14.998  203.276   7.1042  201.507   9.2421  205.830   11.107  839.659   19.301  848.202   22.961 -8.543823 29.99518 
1 1 1    7   13   18 o  236.731   24.110   16.235   3.1664   15.508   5.0431   16.708   4.0682  232.095   38.101  241.368   29.555 -9.273026 48.22014 
1 1 1    7   13   20 o  512.703   24.222   73.363   6.0127   80.148   12.626   71.373   6.8378  526.300   42.068  499.105   24.023 27.19559 48.44380 
1 1 1    7   13   22 o  250.404   28.289   19.579   3.4850   16.083   6.3281   21.101   4.1753  229.955   49.704  270.854   27.031 -40.89897 56.57826 
1 1 1    7   13   24 o  681.746   18.290  134.914   6.7362  130.988   11.454  136.990   8.3289  672.888   29.848  690.604   21.148 -17.71613 36.58020 
1 1 1    7   13   26 o  317.727   19.871   28.165   3.5026   34.410   5.8382   24.653   4.3780  343.796   29.777  291.657   26.322 52.13953 39.74292 
1 1 1    7   13   28 o  222.813   28.857   15.456   3.5443   14.306   5.3180   16.375   4.7541  211.938   45.369  233.688   35.673 -21.75009 57.71359 
1 1 1    7   13   30 o  310.097   17.847   28.785   3.0419   27.573   4.9461   29.523   3.8578  303.052   28.619  317.142   21.330 -14.09082 35.69327 
1 1 1    7   13   32 o  132.661   33.683   6.0111   3.2418   5.9976   4.4998   6.0257   4.6744  132.463   47.224  132.860   48.041 -0.3964539 67.36539 
1 1 1    7   13   34 o   86.593   27.172   0.3452   2.7034  -1.0245   3.7331   1.8558   3.9202   78.416   36.116   94.769   40.608 -16.35374 54.34494 
1 1 1    7   13   36 o  168.619   31.687   12.540   3.1088   15.341   4.7053   10.371   4.1414  186.870   44.745  150.368   44.879 36.50197 63.37379 
1 1 1    7   14    1 f  969.862   30.476  270.608   16.856   0.0000   0.0000  270.608   16.856  ?   ?   969.862   30.476      ?      ? 
1 1 1    7   14    3 o  397.409   14.999   45.229   3.3991   45.907   4.8287   44.562   4.7858  400.369   21.148  394.450   21.275 5.918945 29.99799 
1 1 1    7   14    5 o  164.866   17.855   8.0087   1.6120   6.5061   2.3006   9.4577   2.2593  148.043   28.281  181.690   21.804 -33.64748 35.71045 
1 1 1    7   14    7 o  639.070   15.129  116.890   5.5111  121.948   7.9130  112.126   7.6800  652.501   21.265  625.638   21.525 26.86346 30.25781 
1 1 1    7   14    9 o  744.108   17.677  153.025   6.4611  170.273   13.350  147.748   7.3835  769.466   30.422  718.751   18.013 50.71497 35.35493 
1 1 1    7   14   11 o  417.374   19.109   48.661   2.8123   51.675   8.7068   48.310   2.9716  423.414   36.058  411.334   12.668 12.07950 38.21819 
1 1 1    7   14   13 o  566.838   21.087   91.066   6.3445   95.344   11.383   89.137   7.6416  575.735   34.668  557.940   24.016 17.79523 42.17368 
1 1 1    7   14   15 o  1060.11   14.819  318.574   8.8313  305.756   11.456  337.345   13.864  1034.27   19.423  1085.96   22.386 -51.68689 29.63774 
1 1 1    7   14   17 f  507.693   17.466   74.012   5.0174   71.895   7.5239   75.707   6.7332  500.999   26.334  514.387   22.953 -13.38815 34.93298 
1 1 1    7   14   19 o  846.963   15.666  206.626   7.3123  200.265   11.898  210.488   9.2696  835.977   24.956  857.949   18.946 -21.97162 31.33282 
1 1 1    7   14   21 o  116.427   31.837   2.7041   2.9270   0.9003   5.2489   3.5181   3.5262  114.983   48.008  117.870   41.827 -2.887512 63.67340 
1 1 1    7   14   23 o  282.463   23.565   23.037   3.7883   24.848   5.5654   21.472   5.1713  292.768   33.333  272.157   33.318 20.61041 47.12976 
1 1 1    7   14   25 o  236.467   29.093   16.393   3.8038   19.142   5.9823   14.527   4.9284  254.424   41.230  218.510   41.057 35.91403 58.18590 
1 1 1    7   14   27 o  114.093   33.400   1.3900   3.4007   0.4182   4.1976   3.2460   5.8010   98.993   42.208  129.192   51.776 -30.19862 66.80051 
1 1 1    7   14   29 o  136.830   33.588   6.0199   3.2272   7.3736   3.6889   1.6054   6.6617  150.875   41.552  122.785   52.782 28.09007 67.17558 
1 1 1    7   14   31 o   84.387   27.235  -1.4979   2.9122  -1.3567   4.1157  -1.6394   4.1213   84.987   38.679   83.786   38.352 1.200729 54.46957 
1 1 1    7   14   33 o  112.940   27.091   1.8448   2.9525  -6.9449   4.3363   9.4416   4.0314   66.372   32.654  159.508   43.235 -93.13660 54.18108 
1 1 1    7   14   35 o   75.099   24.914  -2.3511   2.7456   1.7063   4.1194  -5.5943   3.6829   90.083   40.028   60.114   29.674 29.96965 49.82755 
1 1 1    7   14   37 f   67.932   23.255  -1.9989   2.7961  -0.4350   3.8560  -3.7332   4.0606   72.069   34.286   63.795   31.427 8.273788 46.51046 
1 1 1    7   15    2 o  521.138   18.549   78.758   5.1659   80.294   6.3246   75.680   8.9540  529.492   20.945  512.785   30.619 16.70746 37.09722 
1 1 1    7   15    4 o  1002.88   15.310  288.140   8.7560  285.874   12.387  290.402   12.379  998.919   21.744  1006.84   21.559 -7.920776 30.62017 
1 1 1    7   15    6 f  655.728   15.189  123.150   5.6798  124.650   8.0506  121.664   8.0145  659.714   21.398  651.742   21.563 7.971985 30.37827 
1 1 1    7   15    8 o   65.826   23.094  -1.6153   0.8268  -0.3156   4.6002  -1.6587   0.8404  101.774   43.808   29.878   14.634 71.89609 46.18707 
1 1 1    7   15   10 o  810.476   18.416  189.974   7.2084  185.242   14.787  191.449   8.2557  802.597   32.307  818.354   17.690 -15.75745 36.83284 
1 1 1    7   15   12 o  982.960   18.323  275.733   8.7474  278.955   17.968  274.733   10.014  985.474   31.971  980.445   17.910 5.028992 36.64614 
1 1 1    7   15   14 o  352.577   23.732   36.076   3.2006   35.191   8.8296   36.210   3.4342  349.125   44.347  356.029   16.914 -6.904175 47.46321 
1 1 1    7   15   16 f  395.464   21.102   44.117   3.6590   43.708   4.0335   46.016   8.6951  391.098   18.084  399.830   38.133 -8.731476 42.20431 
1 1 1    7   15   18 o  373.207   20.997   42.609   4.0445   33.315   7.0115   47.243   4.9514  340.093   36.151  406.321   21.368 -66.22729 41.99392 
1 1 1    7   15   20 o  474.855   14.719   64.243   3.9150   66.397   6.1896   62.806   5.0545  481.268   22.552  468.442   18.920 12.82599 29.43742 
1 1 1    7   15   22 o  379.775   17.880   39.841   3.5935   37.279   4.2795   45.968   6.6174  360.456   20.819  399.094   29.075 -38.63800 35.75990 
1 1 1    7   15   24 f  175.949   31.698   10.094   3.2149   6.5459   5.3939   12.049   4.0037  151.944   51.868  199.953   36.454 -48.00964 63.39691 
1 1 1    7   15   26 o   97.786   28.862   1.0627   2.5177  -0.2305   4.7452   1.5694   2.9702  101.481   44.084   94.090   37.264 7.390556 57.72343 
1 1 1    7   15   28 o  116.205   29.204   2.5191   3.0588  -4.8081   4.8949   7.2132   3.9179   82.646   39.117  149.764   43.375 -67.11743 58.40821 
1 1 1    7   15   30 f  122.357   31.714   4.5373   2.8703   4.7577   3.6987   4.2035   4.5508  122.999   42.905  121.714   46.715 1.284927 63.42809 
1 1 1    7   15   32 o  126.030   29.967   4.9604   3.2117   9.7498   4.1493  -2.1980   5.0728  163.938   43.618   88.122   41.104 75.81591 59.93367 
1 1 1    7   15   34 o   87.136   26.328  -0.1213   2.5921   4.7929   3.8333  -4.2616   3.5184  111.391   42.845   62.881   30.611 48.50992 52.65642 
1 1 1    7   15   36 o   80.663   25.833   0.9917   2.5536   3.3683   3.9079  -0.7793   3.3735   91.869   39.958   69.458   32.752 22.41099 51.66536 
1 1 1    7   16    1 o  627.727   21.267  113.349   7.6130  112.676   10.788  114.017   10.745  625.843   30.226  629.610   29.925 -3.766663 42.53402 
1 1 1    7   16    3 o  869.015   18.654  217.472   8.6942  218.880   10.644  214.650   15.071  874.241   21.348  863.788   30.595 10.45258 37.30713 
1 1 1    7   16    5 o  1079.44   15.493  333.704   9.5370  334.970   13.527  332.453   13.448  1081.47   21.933  1077.41   21.887 4.059448 30.98518 
1 1 1    7   16    7 o  499.454   15.685   71.438   4.4662   73.712   6.3317   69.187   6.3008  507.391   21.882  491.516   22.478 15.87531 31.37038 
1 1 1    7   16    9 o  522.853   18.475   76.372   4.5968   82.020   9.8622   74.805   5.1956  534.146   32.376  511.559   17.809 22.58667 36.95080 
1 1 1    7   16   11 f  374.842   21.826   39.723   3.7814   41.379   8.3808   39.300   4.2372  378.955   38.780  370.728   20.042 8.227051 43.65250 
1 1 1    7   16   13 o  407.714   16.421   47.423   3.5515   47.185   4.2911   47.939   6.3276  406.351   18.517  409.077   27.123 -2.726105 32.84133 
1 1 1    7   16   15 f  618.558   33.744  109.910   11.903   0.0000   0.0000  109.910   11.903  ?   ?   618.558   33.744      ?      ? 
1 1 1    7   16   17 o  285.610   20.160   20.429   2.9396   30.496   6.0080   17.261   3.3707  325.728   32.343  245.491   24.076 80.23752 40.32066 
1 1 1    7   16   19 o  209.152   29.398   16.441   3.0589   5.8960   5.8488   20.412   3.5888  151.501   53.858  266.802   23.587 -115.3007 58.79622 
1 1 1    7   16   21 o  299.837   17.941   25.730   3.0572   22.986   4.1722   28.913   4.4927  282.605   25.888  317.069   24.846 -34.46326 35.88160 
1 1 1    7   16   23 o  408.780   16.610   49.756   3.6287   43.278   6.1047   53.295   4.5124  386.669   27.684  430.892   18.363 -44.22324 33.22084 
1 1 1    7   16   25 o  190.554   32.031   11.928   3.4614   8.0299   5.8387   14.040   4.2981  162.933   53.950  218.175   34.545 -55.24228 64.06242 
1 1 1    7   16   27 o  151.910   39.397   6.4635   4.7265   9.9756   6.4137   2.2894   6.9921  173.753   56.498  130.067   54.923 43.68608 78.79391 
1 1 1    7   16   29 o  106.883   31.903   0.3314   3.7107  -5.5956   5.7682   4.5163   4.8468   87.571   41.737  126.195   48.263 -38.62378 63.80699 
1 1 1    7   16   31 o  113.799   33.644   3.0046   3.5616   3.9423   5.7776   2.4298   4.5233  121.142   50.456  106.457   44.518 14.68511 67.28742 
1 1 1    7   16   33 o   68.712   22.744  -2.7127   2.4059  -7.3641   3.8434   0.2845   3.0852   59.142   29.390   78.281   34.719 -19.13930 45.48857 
1 1 1    7   16   35 o   98.093   29.128   3.2410   2.6582   6.7489   4.5323   1.4016   3.2820  115.159   45.897   81.027   35.879 34.13258 58.25667 
1 1 1    7   17    2 o  463.513   21.459   61.780   5.6667   65.335   8.0534   58.294   7.9750  476.811   29.617  450.214   31.061 26.59766 42.91807 
1 1 1    7   17    4 o  248.874   23.541   17.835   3.3387   17.682   4.8023   17.978   4.6450  247.792   33.984  249.955   32.586 -2.162689 47.08196 
1 1 1    7   17    6 o  573.840   13.626   94.252   4.2344   94.415   5.2281   93.942   7.2195  574.833   15.948  572.847   22.099 1.986206 27.25291 
1 1 1    7   17    8 f  836.007   17.121  201.482   8.0188  192.762   12.422  207.711   10.500  820.024   26.562  851.990   21.609 -31.96655 34.24209 
1 1 1    7   17   10 o  1488.42   19.103  635.958   13.926  632.565   28.136  637.058   16.026  1483.91   33.248  1492.93   18.824 -9.019165 38.20651 
1 1 1    7   17   12 o  753.966   19.272  165.029   6.9365  158.861   14.421  166.885   7.9120  743.700   34.001  764.233   18.154 -20.53357 38.54402 
1 1 1    7   17   14 o  326.263   18.178   30.418   3.3823   0.0000   0.0000   30.418   3.3823  ?   ?   326.263   18.178      ?      ? 
1 1 1    7   17   16 o  505.153   40.542   73.681   11.679   73.681   11.679   0.0000   0.0000  505.153   40.542  ?   ?       ?      ? 
1 1 1    7   17   18 o  341.480   18.488   33.328   3.5923   36.146   5.2864   30.911   4.8965  354.832   26.124  328.129   26.167 26.70325 36.97514 
1 1 1    7   17   20 o  288.879   22.096   23.904   3.5817   25.252   5.6542   23.001   4.6289  295.329   33.571  282.429   28.739 12.90060 44.19257 
1 1 1    7   17   22 o  603.115   15.998  106.163   5.2272  109.571   6.5124   99.992   8.7638  617.877   18.482  588.352   26.119 29.52478 31.99675 
1 1 1    7   17   24 o  443.356   21.361   58.008   5.1311   55.393   8.6197   59.443   6.3857  433.800   34.842  452.912   24.723 -19.11264 42.72275 
1 1 1    7   17   26 o   83.928   27.720  -3.5968   3.2303  -5.4720   5.2665  -2.4659   4.0900   85.168   40.387   82.688   37.980 2.479805 55.43996 
1 1 1    7   17   28 o  152.101   41.134   7.1549   5.0008   8.9407   7.2716   5.5524   6.8884  162.322   59.731  141.879   56.571 20.44337 82.26846 
1 1 1    7   17   30 o  115.955   36.644   1.4507   4.6444  -1.2951   9.1010   2.4175   5.4006  119.171   55.409  112.740   47.968 6.430206 73.28754 
1 1 1    7   17   32 o   90.184   27.209   0.8682   2.5449  -1.2455   3.4062   3.5391   3.8289   74.454   34.365  105.914   42.194 -31.46017 54.41797 
1 1 1    7   17   34 o  125.897   29.314   5.9361   3.4583  -4.0853   5.2427   13.656   4.6015   75.725   36.973  176.069   45.499 -100.3435 58.62754 
1 1 1    7   17   36 o   69.078   23.871  -2.1327   3.1132  -1.5945   4.3809  -2.6818   4.4248   70.343   34.223   67.814   33.288 2.528778 47.74208 
1 1 1    7   18    1 o  424.518   21.651   51.801   5.2389   52.874   7.3452   50.691   7.4744  429.054   30.019  419.981   31.207 9.073486 43.30154 
1 1 1    7   18    3 o  465.030   16.860   61.335   3.4247   62.885   8.1458   61.002   3.7746  467.900   30.527  462.159   14.321 5.741425 33.71959 
1 1 1    7   18    5 o  861.829   20.106  210.525   9.6855  225.695   15.526  200.861   12.392  886.500   30.711  837.158   25.957 49.34174 40.21104 
1 1 1    7   18    7 o  729.956   19.231  152.352   7.4414  153.754   13.267  151.708   8.9885  731.704   31.794  728.207   21.644 3.496948 38.46178 
1 1 1    7   18    9 o   80.986   25.636  -0.1222   1.8447  -6.8498   5.6146   0.6920   1.9532   87.696   41.619   74.276   29.946 13.41959 51.27298 
1 1 1    7   18   11 f  923.077   18.863  245.730   8.4193  240.858   17.267  247.250   9.6433  915.933   33.057  930.221   18.178 -14.28741 37.72572 
1 1 1    7   18   13 o  362.646   31.910   37.754   6.5994   0.0000   0.0000   37.754   6.5994  ?   ?   362.646   31.910      ?      ? 
1 1 1    7   18   17 o  279.147   22.850   22.917   3.5589   18.410   5.2028   26.882   4.8790  252.448   36.138  305.847   27.973 -53.39867 45.69954 
1 1 1    7   18   19 o  527.476   16.487   79.303   4.4093   78.582   5.1554   81.268   8.5094  523.913   17.255  531.040   28.098 -7.126648 32.97328 
1 1 1    7   18   21 o  233.583   28.920   16.899   3.6044   13.777   5.6827   19.000   4.6623  211.419   48.203  255.747   31.967 -44.32819 57.83908 
1 1 1    7   18   23 o  182.263   36.761   12.092   3.8789  -3.5300   11.619   14.051   4.1150  145.501   65.728  219.024   32.944 -73.52374 73.52220 
1 1 1    7   18   25 o  215.076   29.280   15.243   3.3905   18.823   4.4441   10.258   5.2445  252.135   30.907  178.016   49.739 74.11911 58.55914 
1 1 1    7   18   27 o  298.981   20.798   26.848   3.5455   27.323   5.0045   26.370   5.0237  301.807   29.076  296.156   29.745 5.650879 41.59535 
1 1 1    7   18   29 o  123.522   36.106   3.6273   3.8441   4.9949   7.0863   3.0570   4.5759  134.441   55.927  112.603   45.682 21.83784 72.21291 
1 1 1    7   18   31 o  114.274   34.243   2.9612   3.2507   6.9453   7.0288   1.8772   3.6664  133.687   55.664   94.862   39.898 38.82455 68.48608 
1 1 1    7   18   33 o  108.309   33.294   4.4937   3.9764   1.6140   6.4616   6.2491   5.0448   99.233   46.322  117.384   47.835 -18.15071 66.58784 
1 1 1    7   18   35 o   72.300   24.103  -0.1292   2.5162   0.3800   3.0719  -1.1676   4.3866   71.303   32.811   73.296   35.316 -1.993027 48.20597 
1 1 1    7   19    0 o  152.133   22.039   7.3903   2.3901   7.3903   2.3901   7.3903   2.3901  152.133   31.167  152.133   31.167 -0.000000 0.000000 
1 1 1    7   19    2 o  317.839   23.093   28.634   4.1538   32.321   6.3746   25.913   5.4759  335.329   33.334  300.348   31.970 34.98102 46.18679 
1 1 1    7   19    4 o  475.496   16.525   64.832   4.4699   59.707   6.3313   69.924   6.3115  456.654   24.312  494.338   22.388 -37.68460 33.04962 
1 1 1    7   19    6 o  411.345   19.197   46.368   3.4969   45.188   3.8512   51.909   8.3455  397.704   16.980  424.987   34.434 -27.28232 38.39301 
1 1 1    7   19    8 o  1339.82   23.140  515.504   17.672  497.290   25.001  533.691   24.983  1316.00   33.313  1363.65   32.125 -47.64600 46.27948 
1 1 1    7   19   10 o  938.712   18.260  254.241   9.4683  244.402   15.282  260.372   12.063  923.338   29.021  954.086   22.170 -30.74792 36.52023 
1 1 1    7   19   12 o  381.974   25.404   41.787   5.5340   0.0000   0.0000   41.787   5.5340  ?   ?   381.974   25.404      ?      ? 
1 1 1    7   19   16 o  738.141   17.348  156.513   7.2926  164.331   10.249  148.495   10.379  756.979   23.741  719.303   25.301 37.67511 34.69574 
1 1 1    7   19   18 o  744.779   18.264  159.584   7.7515  168.142   11.041  151.266   10.885  764.598   25.322  724.959   26.328 39.63898 36.52889 
1 1 1    7   19   20 o  464.739   20.949   64.248   5.3688   71.210   7.0185   54.427   8.3354  497.002   24.763  432.476   33.796 64.52570 41.89733 
1 1 1    7   19   22 o  366.437   20.137   39.475   4.1026   29.209   5.7363   50.223   5.8699  316.236   31.807  416.638   24.705 -100.4019 40.27433 
1 1 1    7   19   24 o  267.657   22.454   20.569   3.3736   25.373   5.3683   17.433   4.3370  292.569   32.175  242.746   31.329 49.82335 44.90791 
1 1 1    7   19   26 o   85.952   29.151  -6.9222   4.1365  -5.2582   5.7412  -8.7184   5.9649   89.434   42.340   82.471   40.080 6.963043 58.30143 
1 1 1    7   19   28 o  197.515   40.667   14.209   4.9698   20.395   7.6793   9.7504   6.5190  232.578   58.074  162.453   56.944 70.12540 81.33411 
1 1 1    7   19   30 f  126.550   34.890   5.6041   3.5320   5.3883   6.1714   5.7091   4.3071  126.857   52.434  126.243   46.044 0.6146927 69.78039 
1 1 1    7   19   32 o  124.044   35.286   3.9682   3.7331   14.857   6.9953  -0.3676   4.4142  163.792   58.829   84.296   38.983 79.49623 70.57249 
1 1 1    7   19   34 o   79.929   27.411  -1.2417   3.8541  -2.7849   6.3636  -0.3477   4.8434   80.162   39.462   79.696   38.056 0.4665222 54.82238 
1 1 1    7   20    1 o  640.515   15.037  117.331   5.4926  117.137   7.7714  117.525   7.7639  639.984   21.293  641.046   21.237 -1.062195 30.07344 
1 1 1    7   20    3 o  1410.37   22.732  571.056   18.275  593.571   25.929  548.833   25.760  1438.15   31.615  1382.59   32.671 55.56116 45.46305 
1 1 1    7   20    5 o  516.213   16.220   76.279   4.7723   74.128   6.7933   78.374   6.7056  508.989   23.403  523.436   22.464 -14.44717 32.43963 
1 1 1    7   20    7 o  1142.23   22.853  374.476   14.885  371.837   21.096  377.094   21.007  1138.18   32.500  1146.28   32.135 -8.101807 45.70509 
1 1 1    7   20    9 o  607.813   20.347  108.249   6.0622  101.303   12.039  110.609   7.0166  593.598   35.564  622.028   19.780 -28.42969 40.69423 
1 1 1    7   20   11 o  363.639   26.197   37.891   5.4328   0.0000   0.0000   37.891   5.4328  ?   ?   363.639   26.197      ?      ? 
1 1 1    7   20   13 o  655.320   16.611  122.738   6.2077   0.0000   0.0000  122.738   6.2077  ?   ?   655.320   16.611      ?      ? 
1 1 1    7   20   15 o  684.161   17.743  134.195   6.9183  128.078   9.6032  140.796   9.9753  667.951   25.210  700.372   24.975 -32.42194 35.48664 
1 1 1    7   20   17 o  220.426   36.398   15.019   4.5166   12.394   6.5156   17.447   6.2666  201.062   55.161  239.791   47.505 -38.72926 72.79691 
1 1 1    7   20   19 o  181.408   33.841   10.779   3.5203   12.512   4.2301   6.8759   6.3488  203.838   37.780  158.978   56.156 44.85956 67.68176 
1 1 1    7   20   21 o  236.658   30.898   17.524   3.6090   18.223   4.2540   15.727   6.8171  250.194   29.815  223.122   54.128 27.07169 61.79611 
1 1 1    7   20   23 o  301.831   23.511   25.808   3.2818   24.961   3.6660   29.225   7.3637  293.280   21.919  310.383   41.601 -17.10315 47.02229 
1 1 1    7   20   25 f  156.413   44.002   6.6743   6.1190   9.8394   7.6534   1.0663   10.188  171.295   61.533  141.530   62.915 29.76529 88.00325 
1 1 1    7   20   27 o  105.068   32.321   1.3717   3.0982  -0.8372   7.1286   1.8860   3.4401  112.498   51.086   97.637   39.609 14.86143 64.64266 
1 1 1    7   20   29 o  118.692   38.109   1.1551   5.1106   5.5793   9.3574  -0.7255   6.1009  136.243   60.444  101.141   46.430 35.10220 76.21787 
1 1 1    7   20   31 o   77.965   26.635  -4.8112   2.9417   1.9077   5.6343  -7.3289   3.4491  101.326   45.772   54.605   27.249 46.72178 53.26902 
1 1 1    7   20   33 o   95.015   33.126  -1.6120   6.3134 -10.6068   8.6568   8.6079   9.2275   79.324   40.059  110.706   52.770 -31.38161 66.25256 
1 1 1    7   21    0 o  1347.20   22.801  520.100   24.742  520.100   24.742  520.100   24.742  1347.20   32.246  1347.20   32.246 -0.000000 0.000000 
1 1 1    7   21    2 o  411.507   17.360   48.561   4.0660   46.209   5.8350   50.781   5.6690  401.744   25.468  421.271   23.597 -19.52658 34.71935 
1 1 1    7   21    4 o  432.172   23.180   53.607   5.7115   51.916   8.0161   55.351   8.1398  425.226   33.056  439.119   32.504 -13.89221 46.35965 
1 1 1    7   21    6 o  387.859   17.586   43.097   3.8868   41.362   5.5164   44.808   5.4774  380.065   25.451  395.653   24.276 -15.58813 35.17162 
1 1 1    7   21    8 o  407.973   23.362   49.296   4.8108   44.572   9.0470   51.159   5.6806  393.177   40.348  422.768   23.561 -29.59039 46.72359 
1 1 1    7   21   10 o  1261.15   23.284  455.393   16.747   0.0000   0.0000  455.393   16.747  ?   ?   1261.15   23.284      ?      ? 
1 1 1    7   21   12 o  1190.25   33.206  407.971   22.540   0.0000   0.0000  407.971   22.540  ?   ?   1190.25   33.206      ?      ? 
1 1 1    7   21   14 o  348.700   21.019   34.970   3.9916   34.863   4.9561   35.168   6.7342  348.446   24.941  348.953   33.840 -0.5068359 42.03782 
1 1 1    7   21   16 o  335.049   31.736   35.689   3.5766   30.369   10.458   36.393   3.8061  313.717   60.646  356.382   18.727 -42.66467 63.47181 
1 1 1    7   21   18 o  556.865   17.539   88.656   5.1675   91.517   9.2902   87.374   6.2183  562.169   28.978  551.561   19.769 10.60864 35.07870 
1 1 1    7   21   20 o  326.627   23.769   30.840   3.8479   32.039   7.6916   30.440   4.4439  328.727   41.029  324.526   24.012 4.200714 47.53871 
1 1 1    7   21   22 o  163.850   32.384   9.5701   3.4089   12.278   3.9486   1.6457   6.7545  200.237   35.898  127.462   53.911 72.77480 64.76881 
1 1 1    7   21   24 o  116.476   32.611  -1.9029   3.5225  -6.8900   4.2612   8.8594   6.2598   69.083   33.642  163.870   55.876 -94.78703 65.22243 
1 1 1    7   21   26 o  170.638   37.381   10.430   3.9468   10.045   6.6154   10.644   4.9179  166.253   57.415  175.023   47.884 -8.770447 74.76170 
1 1 1    7   21   28 o  176.217   38.431   13.041   4.8406   5.8337   7.6592   17.835   6.2462  135.123   57.294  217.311   51.236 -82.18712 76.86156 
1 1 1    7   21   30 o  100.922   32.119  -1.2928   3.2407   8.7862   6.9173  -4.1271   3.6681  136.132   55.806   65.712   31.817 70.42005 64.23843 
1 1 1    7   21   32 o   90.602   30.853   0.2603   3.2962   5.8024   8.6158  -0.6899   3.5676  107.863   51.296   73.341   34.296 34.52179 61.70541 
1 1 1    7   22    1 o  393.120   17.605   44.283   3.9425   41.958   5.5826   46.595   5.5684  382.777   25.574  403.463   24.201 -20.68594 35.20959 
1 1 1    7   22    3 o  308.117   23.666   26.752   3.8702   28.696   6.9820   25.890   4.6499  315.647   38.787  300.586   27.125 15.06097 47.33112 
1 1 1    7   22    5 o  454.453   20.373   60.288   5.0785   63.497   6.4619   55.103   8.2131  470.950   24.060  437.957   32.884 32.99280 40.74576 
1 1 1    7   22    7 o  716.447   19.847  144.739   7.5656  154.098   13.565  140.514   9.1149  732.265   32.483  700.630   22.812 31.63495 39.69323 
1 1 1    7   22    9 o  423.917   25.445   51.519   6.1514   0.0000   0.0000   51.519   6.1514  ?   ?   423.917   25.445      ?      ? 
1 1 1    7   22   11 o  504.799   24.834   73.098   7.1493   0.0000   0.0000   73.098   7.1493  ?   ?   504.799   24.834      ?      ? 
1 1 1    7   22   13 o  183.216   34.132   11.844   3.3545   2.5284   8.4709   13.577   3.6532  149.370   61.554  217.061   29.512 -67.69092 68.26345 
1 1 1    7   22   15 o  493.494   26.094   70.800   6.8503   70.851   12.086   70.776   8.3148  491.887   43.086  495.101   29.449 -3.214050 52.18839 
1 1 1    7   22   17 o  260.129   38.534   24.858   4.3062   14.005   10.436   27.085   4.7274  214.217   72.151  306.042   27.086 -91.82512 77.06741 
1 1 1    7   22   19 o  583.561   17.664   97.304   5.5193  102.284   9.7398   94.948   6.6987  592.984   28.801  574.139   20.459 18.84515 35.32827 
1 1 1    7   22   21 o  279.453   29.937   26.553   3.5894   19.695   7.5645   28.546   4.0777  245.460   55.358  313.445   22.812 -67.98462 59.87429 
1 1 1    7   22   23 o  112.646   34.522   0.4888   4.1496   2.2375   5.4410  -1.9424   6.4155  118.189   49.073  107.102   48.569 11.08723 69.04436 
1 1 1    7   22   25 o   97.269   30.196  -0.2143   3.3486  -5.2805   5.9047   2.1874   4.0656   89.396   42.500  105.143   42.906 -15.74737 60.39158 
1 1 1    7   22   27 o  132.376   39.355   5.0947   4.1062   4.8553   10.923   5.1341   4.4313  140.334   63.531  124.418   46.465 15.91621 78.71012 
1 1 1    7   22   29 o  104.651   32.432   2.4914   3.6217   2.8945   5.8585   2.2421   4.6077  108.838   48.078  100.463   43.541 8.375389 64.86395 
1 1 1    7   22   31 o  118.588   37.534   5.6859   5.1361   16.667   8.5565  -0.4991   6.4217  146.769   61.289   90.408   43.345 56.36147 75.06740 
1 1 1    7   22   33 o   99.368   28.528   1.4958   2.9893   12.481   4.8623  -5.1792   3.7903  140.658   49.186   58.077   28.914 82.58031 57.05518 
1 1 1    7   23    0 o  928.474   15.802  246.689   11.817  246.689   11.817  246.689   11.817  928.474   22.347  928.474   22.347 0.000000 0.000000 
1 1 1    7   23    2 o  599.900   14.537  102.459   4.8026  104.784   7.9354  101.116   6.0329  605.008   22.999  594.793   17.785 10.21497 29.07380 
1 1 1    7   23    4 o  488.945   20.275   68.779   5.3498   68.056   9.1664   69.152   6.5882  486.484   33.040  491.406   23.509 -4.921936 40.54985 
1 1 1    7   23    6 o  753.930   22.450  162.481   9.6236  179.367   14.234  148.264   13.061  789.827   31.602  718.034   31.896 71.79248 44.90002 
1 1 1    7   23    8 o  411.421   19.059   48.429   4.4718   0.0000   0.0000   48.429   4.4718  ?   ?   411.421   19.059      ?      ? 
1 1 1    7   23   10 o  874.421   22.859  219.266   11.399   0.0000   0.0000  219.266   11.399  ?   ?   874.421   22.859      ?      ? 
1 1 1    7   23   12 o  590.659   20.456   99.578   4.9087  102.008   12.748   99.155   5.3189  592.596   37.720  588.721   15.842 3.875000 40.91224 
1 1 1    7   23   14 o  335.131   18.727   32.301   3.5652   33.092   5.3065   31.651   4.8134  338.726   27.470  331.535   25.458 7.191101 37.45311 
1 1 1    7   23   16 o  336.206   28.949   29.577   4.4059   39.877   10.583   27.418   4.8457  364.655   50.892  307.756   27.610 56.89838 57.89851 
1 1 1    7   23   18 o  126.113   35.627   2.5673   3.6096   4.3345   6.5578   1.7992   4.3235  142.393   55.684  109.832   44.458 32.56104 71.25443 
1 1 1    7   23   20 o  125.124   35.124   3.2380   3.7369   0.0071   6.6554   4.7256   4.5160  119.182   51.985  131.066   47.247 -11.88402 70.24763 
1 1 1    7   23   22 o  268.170   22.501   22.392   3.2762   15.449   4.7582   28.651   4.5177  224.668   37.137  311.672   25.417 -87.00490 45.00227 
1 1 1    7   23   24 o   82.072   26.699  -2.1397   2.8817  -1.3896   4.0718  -2.8924   4.0789   85.226   38.666   78.919   36.827 6.306389 53.39746 
1 1 1    7   23   26 o  154.783   40.779   9.4505   4.9569   6.7826   7.7122   11.328   6.4704  141.240   58.516  168.326   56.812 -27.08583 81.55764 
1 1 1    7   23   28 o  130.254   36.427   6.8739   3.9030   5.8855   7.5260   7.2375   4.5649  126.194   55.156  134.313   47.599 -8.119247 72.85485 
1 1 1    7   23   30 o   74.502   25.952  -5.5138   3.6759  -7.3660   4.6916  -2.5688   5.9158   65.045   32.348   83.958   40.591 -18.91290 51.90447 
1 1 1    7   23   32 o   74.043   25.161  -0.8403   3.1164  -2.3650   4.8834   0.2071   4.0477   72.363   35.406   75.723   35.758 -3.359619 50.32132 
1 1 1    7   24    1 o  385.205   18.212   42.590   3.9970   40.589   5.6666   44.571   5.6387  376.137   26.417  394.273   25.078 -18.13559 36.42458 
1 1 1    7   24    3 o  1038.98   16.034  309.191   9.4991  316.813   13.519  301.757   13.350  1051.65   22.541  1026.30   22.810 25.35034 32.06841 
1 1 1    7   24    5 o  1243.41   22.785  445.497   16.141  468.363   22.857  422.749   22.798  1275.56   31.422  1211.26   33.003 64.29480 45.56941 
1 1 1    7   24    7 o  249.673   38.653   18.060   5.5036   0.0000   0.0000   18.060   5.5036  ?   ?   249.673   38.653      ?      ? 
1 1 1    7   24    9 o  497.573   25.163   71.150   7.1403   0.0000   0.0000   71.150   7.1403  ?   ?   497.573   25.163      ?      ? 
1 1 1    7   24   11 o  550.725   22.537   95.749   4.8332   76.860   12.362   99.157   5.2512  512.765   42.273  588.686   15.642 -75.92059 45.07400 
1 1 1    7   24   13 o  345.981   32.192   41.385   3.5104   29.056   10.432   42.960   3.7278  304.740   62.133  387.222   16.881 -82.48193 64.38496 
1 1 1    7   24   15 o  158.068   39.565   5.1005   3.2130   10.822   9.1463   4.2950   3.4317  192.532   67.452  123.604   41.375 68.92813 79.13086 
1 1 1    7   24   17 o  405.888   27.646   49.731   4.0230   47.783   11.774   49.988   4.2806  394.915   52.279  416.862   18.006 -21.94730 55.29276 
1 1 1    7   24   19 o  306.774   26.203   27.538   4.3867   25.859   5.3997   30.797   7.5232  295.323   32.061  318.226   41.455 -22.90289 52.40598 
1 1 1    7   24   21 f  247.297   37.614   20.629   5.1468   20.740   7.3373   20.521   7.2215  247.755   53.496  246.839   52.892 0.9154510 75.22890 
1 1 1    7   24   23 o  334.253   24.949   36.274   4.1560   31.184   7.7103   38.359   4.9341  309.414   43.696  359.092   24.094 -49.67810 49.89835 
1 1 1    7   24   25 o  137.295   36.601   6.2597   4.2871   1.2162   6.5903   9.9598   5.6447  113.272   50.462  161.317   53.029 -48.04517 73.20220 
1 1 1    7   24   27 o  129.186   38.658   6.5363   4.8834   5.0928   8.5240   7.2416   5.9580  125.602   56.559  132.770   52.715 -7.168282 77.31618 
1 1 1    7   24   29 o   76.652   26.711  -3.7225   3.4252  -8.6603   8.0358  -2.6262   3.7864   83.668   41.726   69.636   33.359 14.03217 53.42181 
1 1 1    7   24   31 o   96.253   30.766   3.5216   3.8208  -1.4632   5.3123   8.8638   5.4995   77.359   37.649  115.148   48.671 -37.78841 61.53242 
1 1 1    7   25    0 o   56.407   26.790  -1.3769   3.4468  -1.3769   3.4468  -1.3769   3.4468   56.407   37.886   56.407   37.886 0.000000 0.000000 
1 1 1    7   25    2 o  475.182   17.461   64.834   4.7242   69.628   6.7287   60.174   6.6343  492.604   23.952  457.761   25.413 34.84280 34.92186 
1 1 1    7   25    4 o  229.897   24.766   15.244   3.2407   16.639   4.7084   13.987   4.4673  239.925   34.411  219.868   35.628 20.05695 49.53290 
1 1 1    7   25    6 o  815.704   31.481  192.123   14.644   0.0000   0.0000  192.123   14.644  ?   ?   815.704   31.481      ?      ? 
1 1 1    7   25    8 o  288.419   30.037   22.479   4.5484   29.142   8.6647   19.945   5.3438  314.664   48.285  262.174   35.741 52.49020 60.07391 
1 1 1    7   25   10 f  546.550   22.587   87.669   5.8120   84.395   12.289   88.613   6.5963  537.474   40.092  555.626   20.817 -18.15192 45.17474 
1 1 1    7   25   12 o  357.463   32.081   41.949   4.8651   32.293   10.478   44.603   5.4931  321.678   59.302  393.248   24.494 -71.56961 64.16135 
1 1 1    7   25   14 o   93.403   31.883  -6.7793   3.2941  -1.9484   8.2536  -7.6946   3.5926  127.224   56.589   59.581   29.392 67.64216 63.76673 
1 1 1    7   25   16 o  358.780   32.735   38.647   6.2527   40.126   11.065   37.953   7.5788  359.966   53.899  357.595   37.164 2.371490 65.46916 
1 1 1    7   25   18 o  138.006   40.961   2.9293   5.3381  -0.7438   9.5513   4.5978   6.4373  136.108   60.684  139.904   55.032 -3.795609 81.92173 
1 1 1    7   25   20 o  141.649   34.567   6.4916   3.5269   1.6903   6.7776   8.2745   4.1302  124.167   53.304  159.131   44.025 -34.96465 69.13412 
1 1 1    7   25   22 o  131.162   38.297   4.1179   4.6583   4.9256   6.6189   3.3253   6.5573  135.369   54.933  126.956   53.375 8.412888 76.59375 
1 1 1    7   25   24 o   95.982   30.414  -0.2077   3.4410   0.5876   4.9693  -0.9404   4.7695  100.190   44.267   91.774   41.718 8.416054 60.82739 
1 1 1    7   25   26 o  115.543   30.421   2.7905   2.9908   9.5489   4.8311  -1.4091   3.8083  153.091   48.962   77.995   36.118 75.09611 60.84235 
1 1 1    7   25   28 o   88.889   29.201  -0.2052   3.6686  -3.3259   5.3931   2.4826   5.0051   80.057   38.718   97.721   43.723 -17.66400 58.40154 
1 1 1    7   25   30 o   77.380   26.325  -0.8512   2.6937   3.4475   5.7178  -2.0774   3.0538   93.280   43.553   61.480   29.583 31.79945 52.65043 
1 1 1    7   26    1 o  1092.81   16.146  342.904   10.063  341.097   14.225  344.713   14.236  1089.91   22.886  1095.71   22.783 -5.795776 32.29282 
1 1 1    7   26    3 f  1027.18   16.142  302.966   9.4552  307.560   13.450  298.477   13.294  1034.90   22.790  1019.47   22.867 15.42084 32.28403 
1 1 1    7   26    5 o  584.519   32.828   98.925   10.943   0.0000   0.0000   98.925   10.943  ?   ?   584.519   32.828      ?      ? 
1 1 1    7   26    7 o  429.047   35.489   53.503   8.6835   0.0000   0.0000   53.503   8.6835  ?   ?   429.047   35.489      ?      ? 
1 1 1    7   26    9 o  144.795   35.390   6.1014   3.4765  -0.5777   7.9516   7.6798   3.8655  130.818   56.948  158.773   42.032 -27.95450 70.77940 
1 1 1    7   26   11 o  353.320   23.822   36.015   4.8000   0.0000   0.0000   36.015   4.8000  ?   ?   353.320   23.822      ?      ? 
1 1 1    7   26   13 o  254.331   36.990   20.961   4.1346   18.316   9.6273   21.559   4.5783  236.591   67.840  272.071   29.507 -35.48074 73.97906 
1 1 1    7   26   15 o  216.970   37.423   13.264   3.3239   17.227   9.6227   12.727   3.5419  225.695   68.648  208.244   29.824 17.45172 74.84696 
1 1 1    7   26   17 o  177.961   44.789   9.0832   5.4465   14.574   9.6482   6.5150   6.5985  204.466   69.372  151.456   56.673 53.01077 89.57847 
1 1 1    7   26   19 o  195.893   35.495   13.072   3.8002   13.344   4.5589   12.452   6.8797  203.848   40.642  187.939   58.204 15.90865 70.98908 
1 1 1    7   26   21 o  202.224   32.448   16.274   3.5834   7.9176   6.9752   19.270   4.1766  152.645   58.013  251.803   29.085 -99.15778 64.89576 
1 1 1    7   26   23 o  252.486   67.671   27.923   9.9420   0.0000   0.0000   27.923   9.9420  ?   ?   252.486   67.671      ?      ? 
1 1 1    7   26   25 o  135.316   42.635   6.8315   6.9263   0.6849   9.8925   12.743   9.7010  117.106   55.480  153.526   64.753 -36.41977 85.27029 
1 1 1    7   26   27 o   97.863   32.319   1.4182   3.9242   2.6372   8.0912   1.0433   4.4873  106.368   50.329   89.359   40.560 17.00908 64.63879 
1 1 1    7   26   29 o   77.887   26.909  -2.3112   3.9772  -0.6795   5.2689  -4.4722   6.0637   80.316   38.700   75.457   37.398 4.859184 53.81727 
1 1 1    7   27    0 o  1037.91   16.228  308.883   13.569  308.883   13.569  308.883   13.569  1037.91   22.950  1037.91   22.950 -0.000000 0.000000 
1 1 1    7   27    2 o  906.489   16.263  236.290   8.4069  236.285   11.922  236.294   11.856  906.459   23.063  906.519   22.934 -0.6005859E-01 32.52515 
1 1 1    7   27    4 o  1017.56   22.936  300.484   13.309  303.290   18.989  297.774   18.658  1022.16   32.575  1012.97   32.298 9.186096 45.87297 
1 1 1    7   27    6 o  494.849   16.786   69.329   4.6659   63.881   6.0092   77.599   7.4042  471.095   22.367  518.602   25.035 -47.50735 33.57167 
1 1 1    7   27    8 f  103.969   45.199  -0.4854   4.9957   0.0000   0.0000  -0.4854   4.9957  ?   ?   103.969   45.199      ?      ? 
1 1 1    7   27   10 o  166.091   27.643   8.9097   2.3604   6.5707   4.7758   9.6657   2.7152  149.474   48.760  182.708   26.059 -33.23358 55.28606 
1 1 1    7   27   12 o  325.626   29.101   30.085   3.5217   33.919   10.284   29.576   3.7483  331.120   54.460  320.131   20.531 10.98877 58.20126 
1 1 1    7   27   14 f  131.079   37.258  -0.4806   3.3044   10.898   8.6681  -2.4152   3.5743  185.428   65.604   76.729   35.339 108.6999 74.51661 
1 1 1    7   27   16 o  126.960   39.293   0.8280   5.1744   0.1763   9.0006   1.1497   6.3239  133.999   59.372  119.921   51.486 14.07835 78.58652 
1 1 1    7   27   18 o  145.918   37.367   6.5499   3.2613   3.9469   9.4775   6.8995   3.4734  146.081   62.879  145.754   40.391 0.3265839 74.73407 
1 1 1    7   27   20 o  141.336   39.229   6.2358   4.6348   5.2774   6.5843   7.1770   6.5253  135.987   54.927  146.684   56.024 -10.69647 78.45824 
1 1 1    7   27   24 o  102.163   31.722   1.9586   3.5604   1.5346   5.0677   2.3718   5.0031  100.330   44.498  103.996   45.222 -3.666458 63.44319 
1 1 1    7   27   26 o   90.783   30.014   0.1914   3.8286   0.7637   4.9117  -0.6946   6.1119   90.334   41.539   91.233   43.334 -0.8994141 60.02801 
1 1 1    7   27   28 o   83.582   27.493   1.2716   3.0976   1.3104   5.1403   1.2495   3.8815   85.980   40.508   81.183   37.182 4.796898 54.98547 
1 1 1    7   28    1 o  157.118   37.574   5.9629   4.3749   11.619   6.3890   0.9694   6.0031  193.268   55.216  120.969   50.975 72.29923 75.14843 
1 1 1    7   28    3 f  362.035   28.216   38.447   5.8132   41.086   8.5660   36.193   7.9147  373.414   40.225  350.655   39.579 22.75964 56.43137 
1 1 1    7   28    5 o  562.882   23.146   92.890   6.8065   91.229   12.339   93.617   8.1604  556.642   38.869  569.122   25.143 -12.48016 46.29205 
1 1 1    7   28    7 o  335.997   31.343   38.424   3.6872   28.307   9.8347   40.079   3.9773  298.596   59.839  373.397   18.678 -74.80133 62.68580 
1 1 1    7   28    9 o  635.385   19.709  116.354   7.1417   0.0000   0.0000  116.354   7.1417  ?   ?   635.385   19.709      ?      ? 
1 1 1    7   28   11 o  528.562   23.665   82.117   5.9529   83.635   12.523   81.674   6.7663  526.376   41.718  530.748   22.355 -4.371887 47.33026 
1 1 1    7   28   13 o  187.702   27.694   9.8077   3.3612   21.847   5.2054   1.1981   4.4019  270.396   33.757  105.007   43.914 165.3892 55.38898 
1 1 1    7   28   15 f  148.100   37.904   5.3452   2.7290   8.9252   9.1931   4.9992   2.8578  169.867   66.067  126.334   37.176 43.53268 75.80843 
1 1 1    7   28   17 o  246.693   43.106   20.586   5.8262   29.850   10.100   15.967   7.1324  283.396   64.008  209.991   57.755 73.40424 86.21277 
1 1 1    7   28   19 o  113.721   36.877  -0.9663   5.0703   0.1708   8.9414  -1.5053   6.1557  124.959   56.925  102.483   46.896 22.47662 73.75424 
1 1 1    7   28   23 o  141.567   43.653   9.8071   6.7196   6.5345   9.4692   13.127   9.5370  130.021   58.980  153.113   64.371 -23.09209 87.30550 
1 1 1    7   28   25 o  113.773   32.866   5.5153   3.2211   5.5443   3.7186   5.4281   6.4462  115.074   42.646  112.472   50.020 2.601448 65.73174 
1 1 1    7   28   27 o  108.630   30.332  -0.6573   3.5992   16.018   5.7801 -11.2177   4.5999  161.572   53.688   55.688   28.243 105.8836 60.66344 
1 1 1    7   29    2 o  360.946   29.249   38.928   5.9794   36.542   8.8023   40.973   8.1479  349.595   44.151  372.296   38.376 -22.70111 58.49799 
1 1 1    7   29    4 o  169.111   38.167   8.2167   3.8456   10.307   7.2407   7.3955   4.5387  182.788   60.058  155.433   47.117 27.35550 76.33497 
1 1 1    7   29    6 o  312.651   32.560   30.574   4.9183   28.506   9.3912   31.355   5.7734  298.278   57.291  327.025   30.957 -28.74677 65.11979 
1 1 1    7   29    8 o  636.783   21.757  118.484   6.7248  120.906   13.783  117.727   7.7040  635.833   38.011  637.733   21.183 -1.899658 43.51482 
1 1 1    7   29   10 o  481.946   27.824   68.283   7.6474   0.0000   0.0000   68.283   7.6474  ?   ?   481.946   27.824      ?      ? 
1 1 1    7   29   12 o  187.518   39.671   11.472   3.9988   11.725   9.0998   11.411   4.4516  186.227   67.075  188.809   42.382 -2.582520 79.34267 
1 1 1    7   29   14 o  197.517   35.205   15.453   3.2655   6.6067   9.6613   16.594   3.4697  158.399   65.549  236.635   25.711 -78.23631 70.41077 
1 1 1    7   29   16 o  145.063   39.860   6.1531   5.2395  -2.4523   9.3223   10.127   6.3347  122.088   56.527  168.039   56.215 -45.95087 79.72090 
1 1 1    7   29   18 o  123.849   39.901   0.2688   6.2504   2.5520   8.8589  -1.9944   8.8199  130.824   58.378  116.874   54.410 13.95044 79.80196 
1 1 1    7   29   22 o   91.162   29.902  -0.5296   3.4151   0.5617   6.1978  -1.0054   4.0925  100.910   46.499   81.413   37.609 19.49778 59.80466 
1 1 1    7   29   24 o   86.162   28.864  -2.8695   3.4723   5.0112   6.0552  -6.7305   4.2384  109.639   48.633   62.685   31.102 46.95354 57.72745 
1 1 1    7   29   26 o  128.382   30.446   9.5894   3.5130   13.199   4.2007   1.1914   6.4072  168.285   43.466   88.478   42.644 79.80657 60.89167 
1 1 1    7   30    1 o  164.296   41.636   7.6110   5.0613   4.8283   7.0745   10.529   7.2439  146.392   57.658  182.200   60.082 -35.80855 83.27189 
1 1 1    7   30    3 o   98.145   27.563   1.7065   2.3345   2.9340   2.7826  -1.2117   4.2902  104.897   37.163   91.392   40.715 13.50495 55.12559 
1 1 1    7   30    5 o  410.146   26.674   52.917   5.3795   45.300   10.257   55.808   6.3182  383.108   46.946  437.183   25.342 -54.07495 53.34898 
1 1 1    7   30    7 o  478.439   23.914   66.247   5.5696   72.607   11.539   64.316   6.3595  487.431   41.511  469.446   23.754 17.98486 47.82710 
1 1 1    7   30    9 o  314.310   19.182   29.245   3.3874   29.697   4.4508   28.622   5.2222  318.182   24.529  310.438   29.497 7.744202 38.36330 
1 1 1    7   30   11 o  308.194   18.279   28.478   3.1468   25.807   4.8186   30.464   4.1553  294.113   28.729  322.274   22.609 -28.16162 36.55820 
1 1 1    7   30   13 o  218.934   38.551   16.111   4.1080   17.637   9.4312   15.754   4.5637  212.111   68.471  225.757   35.447 -13.64601 77.10233 
1 1 1    7   30   15 o  202.889   36.658   16.854   4.1131   8.8080   9.5996   18.664   4.5522  160.207   65.716  245.570   32.505 -85.36235 73.31531 
1 1 1    7   30   17 o  306.471   19.686   28.685   3.4295   26.041   4.6503   31.838   5.0779  290.936   28.028  322.007   27.652 -31.07135 39.37224 
1 1 1    7   30   21 o   86.345   28.281  -1.1240   3.4368   1.4487   4.1623  -6.6350   6.0920   92.713   40.757   79.977   39.218 12.73591 56.56138 
1 1 1    7   30   23 o   91.628   30.788  -0.0179   4.3777   0.8167   6.1730  -0.8623   6.2092   93.903   44.287   89.353   42.782 4.550026 61.57589 
1 1 1    7   30   25 o   77.523   25.321  -1.4239   2.8693  -7.1253   3.9990   4.6253   4.1192   57.015   28.583   98.031   41.805 -41.01526 50.64231 
1 1 1    7   31    0 o  511.526   18.809   76.360   7.7119   76.360   7.7119   76.360   7.7119  511.526   26.601  511.526   26.601 0.000000 0.000000 
1 1 1    7   31    2 o  659.561   25.444  131.224   9.5697  132.063   13.486  130.373   13.582  661.943   35.724  657.179   36.239 4.763550 50.88720 
1 1 1    7   31    4 o  456.451   29.179   64.284   7.5741   69.152   10.680   59.360   10.742  475.365   39.398  437.537   43.052 37.82846 58.35806 
1 1 1    7   31    6 o  320.965   29.902   32.075   4.9112   31.880   9.1464   32.155   5.8216  314.134   51.056  327.796   31.142 -13.66199 59.80387 
1 1 1    7   31    8 o  171.690   30.596   11.534   4.0698  -8.3886   8.7185   17.085   4.6019  106.320   50.850  237.059   34.040 -130.7393 61.19156 
1 1 1    7   31   10 o   94.594   38.416   1.5741   3.2396   0.0000   0.0000   1.5741   3.2396  ?   ?    94.594   38.416      ?      ? 
1 1 1    7   31   12 o  193.091   41.972   13.259   4.6440   15.829   9.2296   12.388   5.3739  197.965   67.847  188.217   49.430 9.747498 83.94344 
1 1 1    7   31   14 o  185.546   33.505   12.806   3.4063   9.9047   6.9264   13.732   3.9120  161.550   58.470  209.543   32.737 -47.99316 67.01049 
1 1 1    7   31   16 o  271.517   39.518   29.877   5.3256   25.429   10.217   31.537   6.2405  231.179   70.820  311.855   35.089 -80.67578 79.03579 
1 1 1    7   31   18 o  178.834   68.221   17.861   9.6685   0.0000   0.0000   17.861   9.6685  ?   ?   178.834   68.221      ?      ? 
1 1 1    7   31   20 o  169.671   43.565   16.401   5.4161   17.470   9.4206   15.873   6.6195  161.785   65.577  177.557   57.368 -15.77156 87.12917 
1 1 1    7   31   22 o  138.676   35.179   10.505   3.7021   11.279   4.5043   8.8921   6.4993  154.736   46.946  122.617   52.406 32.11913 70.35840 
1 1 1    7   31   24 o   75.682   26.506  -3.6775   4.2857  -1.9930   6.0332  -5.3933   6.0890   78.679   38.671   72.686   36.261 5.992859 53.01252 
1 1 1    7   32    1 o  334.739   22.634   33.829   4.3135   36.311   6.1466   31.420   6.0547  347.401   31.025  322.076   32.964 25.32578 45.26804 
1 1 1    7   32    3 o  277.613   33.323   25.000   4.7077   25.268   8.4714   24.881   5.6626  269.856   56.841  285.371   34.795 -15.51447 66.64534 
1 1 1    7   32    5 o  397.361   32.133   51.181   7.1664   60.254   10.111   42.022   10.159  437.706   40.506  357.016   49.895 80.68988 64.26688 
1 1 1    7   32    7 o  264.241   38.001   25.911   5.3054   18.634   8.9779   29.816   6.5765  219.460   66.210  309.022   37.318 -89.56113 76.00209 
1 1 1    7   32    9 o  251.635   22.681   19.960   3.0642   17.696   5.0863   21.250   3.8390  236.665   37.686  266.606   25.249 -29.94106 45.36256 
1 1 1    7   32   11 o  239.001   43.468   19.283   5.7064   0.0000   0.0000   19.283   5.7064  ?   ?   239.001   43.468      ?      ? 
1 1 1    7   32   13 o  220.001   37.886   17.607   3.8621   19.438   9.5006   17.244   4.2271  205.821   68.844  234.180   31.652 -28.35876 75.77147 
1 1 1    7   32   15 o  145.691   36.007   8.7549   3.7595   3.5422   8.8959   9.8883   4.1481  126.787   57.372  164.595   43.526 -37.80739 72.01408 
1 1 1    7   32   17 o   89.224   39.893   0.5237   4.1588   0.0000   0.0000   0.5237   4.1588  ?   ?    89.224   39.893      ?      ? 
1 1 1    7   32   19 o  121.130   37.354   4.4258   3.8735   14.906   8.8684   1.9550   4.3060  148.600   62.253   93.660   41.304 54.93980 74.70895 
1 1 1    7   32   21 o  107.973   33.967   4.9073   5.0566  -7.7639   8.9705   10.809   6.1219   84.746   42.530  131.200   52.974 -46.45390 67.93414 
1 1 1    7   32   23 o   69.114   24.579  -6.6063   3.4480 -10.7772   4.2214   1.7543   5.9767   52.363   26.608   85.865   41.334 -33.50140 49.15787 
1 1 1    7   33    0 o  108.045   40.080   5.4893   4.6107   5.4893   4.6107   5.4893   4.6107  108.045   56.681  108.045   56.681 0.000000 0.000000 
1 1 1    7   33    2 o  129.558   35.794   4.7398   3.8280   2.0053   6.8560   5.9784   4.6142  122.972   53.204  136.144   47.897 -13.17248 71.58766 
1 1 1    7   33    4 o  428.619   24.219   58.901   4.4625   53.654   10.256   60.127   4.9563  404.353   44.474  452.886   19.190 -48.53247 48.43773 
1 1 1    7   33    6 o  492.997   40.841   78.729   11.482   78.729   11.482   0.0000   0.0000  492.997   40.841  ?   ?       ?      ? 
1 1 1    7   33    8 o  267.612   42.733   27.751   6.4099   32.567   9.1165   23.043   9.0144  297.329   55.815  237.895   64.723 59.43407 85.46551 
1 1 1    7   33   10 o  237.158   46.477   24.273   6.6876   29.738   9.5039   18.913   9.4120  270.498   62.814  203.819   68.520 66.67853 92.95489 
1 1 1    7   33   12 o  226.818   55.735   20.585   7.1578   0.0000   0.0000   20.585   7.1578  ?   ?   226.818   55.735      ?      ? 
1 1 1    7   33   14 o  166.508   44.368   10.493   4.2891   0.0000   0.0000   10.493   4.2891  ?   ?   166.508   44.368      ?      ? 
1 1 1    7   33   16 o   94.162   41.250   1.7117   4.2306   0.0000   0.0000   1.7117   4.2306  ?   ?    94.162   41.250      ?      ? 
1 1 1    7   33   18 o  117.928   34.329   6.6177   3.8787   8.3257   5.0385   4.1333   6.0767  129.694   49.302  106.161   47.784 23.53307 68.65895 
1 1 1    7   33   20 o  114.892   31.602   7.4786   3.8519  -4.4319   8.7472   10.344   4.2903   86.410   43.163  143.374   46.171 -56.96371 63.20404 
1 1 1    7   33   22 o   77.581   27.132  -0.8545   3.7430  -0.4313   8.4313  -0.9584   4.1772   84.017   42.029   71.144   34.326 12.87327 54.26479 
1 1 1    7   34    1 o  198.726   32.236   13.792   3.6268   17.597   5.2268   10.259   5.0365  228.948   41.563  168.503   49.287 60.44495 64.47235 
1 1 1    7   34    3 o  151.989   34.352   8.8031   3.9649   0.5007   7.2348   12.367   4.7401  115.675   52.096  188.302   44.792 -72.62730 68.70478 
1 1 1    7   34    5 o  153.417   35.124   9.2044   3.9603   2.3599   7.3151   12.042   4.7103  122.142   53.851  184.692   45.109 -62.55067 70.24780 
1 1 1    7   34    7 o  125.604   35.258   4.9341   3.9770  -0.3433   7.4367   7.0479   4.7066  111.692   51.269  139.517   48.414 -27.82573 70.51579 
1 1 1    7   34    9 o  102.001   32.473  -0.5996   4.2946  -7.9224   7.1928   3.4571   5.3536   89.090   43.456  114.912   48.266 -25.82150 64.94630 
1 1 1    7   34   11 o  202.635   42.586   18.979   5.2702   18.397   9.0373   19.279   6.4875  187.010   66.898  218.261   52.714 -31.25078 85.17130 
1 1 1    7   34   13 o  168.630   67.073   17.654   9.6615   0.0000   0.0000   17.654   9.6615  ?   ?   168.630   67.073      ?      ? 
1 1 1    7   34   15 o  104.204   43.855   3.7688   4.4340   0.0000   0.0000   3.7688   4.4340  ?   ?   104.204   43.855      ?      ? 
1 1 1    7   34   17 o   69.892   24.890  -3.7720   2.7000  -7.9123   8.0849  -3.2523   2.8645   82.649   41.316   57.135   27.769 25.51336 49.78045 
1 1 1    7   34   19 o  110.267   33.801   7.4893   3.8263   8.4327   8.6753   7.2615   4.2634  105.467   50.516  115.067   44.926 -9.599991 67.60293 
1 1 1    7   35    0 o  374.109   20.002   42.393   5.9557   42.393   5.9557   42.393   5.9557  374.109   28.287  374.109   28.287 0.000000 0.000000 
1 1 1    7   35    2 o  180.557   37.758   13.489   4.1912   11.215   7.5139   14.516   5.0498  160.932   60.427  200.183   45.292 -39.25078 75.51653 
1 1 1    7   35    4 o  241.420   35.082   20.174   4.4165   28.083   7.9753   16.676   5.3040  268.076   54.034  214.765   44.757 53.31088 70.16303 
1 1 1    7   35    6 o  239.786   27.660   18.974   3.3940   17.652   4.0483   22.103   6.2265  235.059   30.199  244.514   46.349 -9.455872 55.31950 
1 1 1    7   35    8 o  196.163   36.394   16.632   4.0785   14.156   8.2365   17.436   4.6945  165.990   63.051  226.338   36.370 -60.34818 72.78874 
1 1 1    7   35   10 o  175.315   36.622   13.875   3.7384   13.166   8.6606   14.037   4.1444  152.896   62.533  197.733   38.135 -44.83650 73.24393 
1 1 1    7   35   12 o  115.055   53.984   4.2098   8.9671   0.0000   0.0000   4.2098   8.9671  ?   ?   115.055   53.984      ?      ? 
1 1 1    7   35   14 o   84.465   42.105  -7.8425   8.1430   0.0000   0.0000  -7.8425   8.1430  ?   ?    84.465   42.105      ?      ? 
1 1 1    7   35   16 f  112.568   36.134   8.2396   5.0454   7.9457   8.5934   8.3942   6.2327  109.384   51.789  115.752   50.404 -6.368645 72.26770 
1 1 1    7   35   18 o  103.217   32.594   5.4486   4.0214   0.2228   5.2585   12.810   6.2412   80.179   38.641  126.255   52.501 -46.07557 65.18848 
1 1 1    7   36    1 o  137.268   36.489   7.4267   3.7361   10.144   6.3138   5.9626   4.6347  149.657   55.548  124.880   47.330 24.77641 72.97767 
1 1 1    7   36    3 o  200.124   38.334   15.905   4.2236   22.090   7.6489   13.192   5.0659  219.013   59.634  181.234   48.183 37.77832 76.66718 
1 1 1    7   36    5 o  130.779   35.230   7.1861   3.5639   5.7595   7.3274   7.6282   4.0788  123.402   54.167  138.157   45.061 -14.75493 70.45953 
1 1 1    7   36    7 o  104.894   31.993   3.2456   3.4549  -0.3859   7.0619   4.3882   3.9613   99.999   47.225  109.789   43.175 -9.790367 63.98669 
1 1 1    7   36    9 o  124.541   35.383   4.9457   3.0227   13.314   7.3255   3.2285   3.3183  151.094   58.917   97.989   39.199 53.10479 70.76587 
1 1 1    7   36   11 o  121.405   48.846   7.2754   5.1851   0.0000   0.0000   7.2754   5.1851  ?   ?   121.405   48.846      ?      ? 
1 1 1    7   36   13 o  110.306   33.165   6.3946   3.8097   2.7354   8.4258   7.3349   4.2712   99.626   48.233  120.987   45.533 -21.36108 66.33006 
1 1 1    7   36   15 o   86.039   42.897  -2.0994   8.4682   0.0000   0.0000  -2.0994   8.4682  ?   ?    86.039   42.897      ?      ? 
1 1 1    7   37    0 o   49.898   25.377  -6.5644   4.9916  -6.5644   4.9916  -6.5644   4.9916   49.898   35.889   49.898   35.889 -0.000000 0.000000 
1 1 1    7   37    2 f   70.795   24.490  -5.1433   3.2667  -9.0106   5.6244  -3.1747   4.0129   70.637   35.176   70.952   34.083 -0.3153076 48.97956 
1 1 1    7   37    4 o  138.775   32.748   9.4125   4.0065  -0.7416   7.2435   13.888   4.8091   96.600   46.240  180.950   46.386 -84.35057 65.49670 
1 1 1    7   37    6 o  149.219   26.626   11.197   2.4335   1.7176   7.3900   12.349   2.5773  101.514   48.052  196.924   22.949 -95.40974 53.25127 
1 1 1    7   37    8 o  132.643   28.506   8.9907   2.7908   0.8175   7.6841   10.233   2.9953   97.374   46.873  167.912   32.454 -70.53807 57.01189 
1 1 1    7   37   10 o  131.453   50.484   10.030   5.3169   0.0000   0.0000   10.030   5.3169  ?   ?   131.453   50.484      ?      ? 
1 1 1    7   37   12 o  106.215   31.661   6.5141   3.8130  -0.8388   8.1912   8.5482   4.3083   87.965   43.573  124.465   45.947 -36.50015 63.32276 
1 1 1    7   37   14 o   78.317   25.901   0.8151   3.0131  -2.4216   4.6042   3.2398   3.9850   69.649   34.141   86.985   38.960 -17.33636 51.80241 
1 1 1    7   38    1 o   88.607   28.943   1.1472   3.4676  -1.2877   5.8232   2.4850   4.3164   85.010   40.892   92.205   40.972 -7.195061 57.88663 
1 1 1    7   38    3 o  108.588   33.672   3.9788   3.7289   11.866   6.7517   0.5171   4.4729  133.421   54.965   83.755   38.910 49.66585 67.34325 
1 1 1    7   38    5 o   92.353   28.255   2.2349   3.3185  -8.6709   6.6924   5.7906   3.8214   73.700   36.951  111.007   42.756 -37.30725 56.51094 
1 1 1    7   38    7 o   88.558   40.752   2.1461   4.7385   0.0000   0.0000   2.1461   4.7385  ?   ?    88.558   40.752      ?      ? 
1 1 1    7   38    9 o   86.211   40.322   2.0082   4.9350   0.0000   0.0000   2.0082   4.9350  ?   ?    86.211   40.322      ?      ? 
1 1 1    7   38   11 o   71.386   25.361  -2.5026   2.7851   2.1614   7.2604  -3.3073   3.0158   86.960   42.677   55.811   27.413 31.14840 50.72253 
1 1 1    7   39    0 o   44.627   23.033  -8.3675   4.9890  -8.3675   4.9890  -8.3675   4.9890   44.627   32.574   44.627   32.574 0.000000 0.000000 
1 1 1    7   39    2 o   90.975   29.779   1.4969   2.8138   9.6876   6.3989  -0.4665   3.1329  113.825   50.265   68.125   31.947 45.69994 59.55855 
1 1 1    7   39    4 o   95.302   29.892   4.5922   3.4465   0.5806   6.8936   5.9290   3.9795   85.690   41.957  104.913   42.588 -19.22226 59.78347 
1 1 1    7   39    6 o   78.847   37.226   0.9797   4.3833   0.0000   0.0000   0.9797   4.3833  ?   ?    78.847   37.226      ?      ? 
1 1 1    8    0    0 o  415.122   21.948   49.987   7.2537   49.987   7.2537   49.987   7.2537  415.122   31.039  415.122   31.039 0.000000 0.000000 
1 1 1    8    0    2 o  539.919   15.252   83.571   6.6173   83.571   6.6173   83.571   6.6173  539.919   21.569  539.919   21.569 0.000000 0.000000 
1 1 1    8    0    8 o  1934.73   24.382  1071.51   38.018  1071.51   38.018  1071.51   38.018  1934.73   34.481  1934.73   34.481 -0.000000 0.000000 
1 1 1    8    0   10 o  730.875   13.502  152.818   7.9464  152.818   7.9464  152.818   7.9464  730.875   19.094  730.875   19.094 -0.000000 0.000000 
1 1 1    8    0   12 o  1356.83   13.266  526.083   14.511  526.083   14.511  526.083   14.511  1356.83   18.761  1356.83   18.761 0.000000 0.000000 
1 1 1    8    0   14 o  1386.46   13.237  549.377   14.795  549.377   14.795  549.377   14.795  1386.46   18.720  1386.46   18.720 0.000000 0.000000 
1 1 1    8    0   16 o  148.239   14.978   6.6500   1.6848   6.6500   1.6848   6.6500   1.6848  148.239   21.183  148.239   21.183 -0.000000 0.000000 
1 1 1    8    0   18 o  826.557   10.673  195.169   7.1094  195.169   7.1094  195.169   7.1094  826.557   15.094  826.557   15.094 -0.000000 0.000000 
1 1 1    8    0   20 o  1586.39   13.413  718.725   17.156  718.725   17.156  718.725   17.156  1586.39   18.969  1586.39   18.969 -0.000000 0.000000 
1 1 1    8    0   24 o  319.497   13.415   29.464   3.4288   29.464   3.4288   29.464   3.4288  319.497   18.971  319.497   18.971 -0.000000 0.000000 
1 1 1    8    0   26 o  336.594   14.452   32.757   3.8902   32.757   3.8902   32.757   3.8902  336.594   20.439  336.594   20.439 -0.000000 0.000000 
1 1 1    8    0   28 o   90.450   34.607   3.4093   3.5300   3.4093   3.5300   3.4093   3.5300   90.450   48.942   90.450   48.942 0.000000 0.000000 
1 1 1    8    0   30 o   74.924   33.333   1.0151   4.2341   1.0151   4.2341   1.0151   4.2341   74.924   47.140   74.924   47.140 -0.000000 0.000000 
1 1 1    8    0   32 o   95.018   37.035   4.0089   4.1214   4.0089   4.1214   4.0089   4.1214   95.018   52.375   95.018   52.375 -0.000000 0.000000 
1 1 1    8    0   34 o  141.411   34.780   7.9988   3.5835   7.9988   3.5835   7.9988   3.5835  141.411   49.186  141.411   49.186 -0.000000 0.000000 
1 1 1    8    0   36 o  113.412   43.572   7.3881   5.6172   7.3881   5.6172   7.3881   5.6172  113.412   61.620  113.412   61.620 0.000000 0.000000 
1 1 1    8    0   38 o   56.037   27.957  -3.0808   5.0526  -3.0808   5.0526  -3.0808   5.0526   56.037   39.537   56.037   39.537 -0.000000 0.000000 
1 1 1    8    1    1 f  407.028   8.2357   47.279   1.9101   47.857   2.6569   46.661   2.7480  409.607   11.374  404.450   11.914 5.156708 16.47148 
1 1 1    8    1    3 o  308.644   18.046   26.798   2.7437   26.401   3.1530   28.037   5.5680  304.144   18.178  313.145   31.179 -9.001068 36.09122 
1 1 1    8    1    7 o  385.761   9.1974   42.151   1.9863   40.894   2.5572   44.062   3.1537  378.588   11.844  392.933   14.074 -14.34525 18.39470 
1 1 1    8    1    9 o  852.983   14.675  207.582   7.0941  204.486   9.4839  211.515   10.689  845.885   19.660  860.081   21.793 -14.19531 29.35014 
1 1 1    8    1   11 o  375.259   8.2659   39.792   1.7506   37.570   2.2905   42.914   2.7147  362.807   11.070  387.712   12.278 -24.90533 16.53174 
1 1 1    8    1   13 o  758.872   12.089  164.452   5.2145  167.399   7.7238  161.984   7.0686  765.033   17.704  752.712   16.467 12.32129 24.17797 
1 1 1    8    1   15 o  327.088   9.7236   30.043   1.6082   29.460   1.8722   31.686   3.1413  321.267   10.219  332.908   16.546 -11.64072 19.44711 
1 1 1    8    1   17 o   52.071   15.746  -0.2773   0.8772  -1.1748   1.2813   0.5143   1.2033   44.676   20.778   59.467   23.665 -14.79052 31.49277 
1 1 1    8    1   19 o  876.133   11.646  220.145   5.7416  224.905   7.5754  213.718   8.8017  887.445   14.968  864.820   17.846 22.62579 23.29248 
1 1 1    8    1   21 o  527.368   22.207   79.732   6.6755   82.607   9.6167   77.059   9.2737  536.530   31.430  518.205   31.380 18.32526 44.41349 
1 1 1    8    1   23 o  850.498   13.882  206.886   6.7326  211.492   9.5730  202.379   9.4704  859.877   19.522  841.118   19.743 18.75940 27.76496 
1 1 1    8    1   25 o  198.530   19.314   11.635   2.0642   15.172   2.9662   8.3135   2.8745  229.945   22.619  167.115   31.312 62.83020 38.62748 
1 1 1    8    1   27 o  300.422   15.733   25.624   2.6756   23.206   3.5313   28.883   4.0997  284.058   21.799  316.787   22.693 -32.72900 31.46684 
1 1 1    8    1   29 o  157.178   29.346   7.5310   2.9635   12.111   4.1405   2.7203   4.2434  199.153   37.840  115.203   44.864 83.94971 58.69109 
1 1 1    8    1   31 o  225.211   24.181   15.525   2.8174   15.282   4.9152   15.644   3.4383  220.019   40.671  230.403   26.168 -10.38434 48.36226 
1 1 1    8    1   33 o  108.428   27.995   3.3102   2.2424   4.0443   3.3957   2.7425   2.9861  115.501   41.040  101.354   38.086 14.14760 55.98919 
1 1 1    8    1   35 o   82.783   26.633  -0.9820   2.7104   0.3824   4.2317  -1.9310   3.5292   91.556   40.632   74.009   34.442 17.54715 53.26529 
1 1 1    8    1   37 o   94.865   32.651  -3.4569   3.9611   8.5677   8.9415  -6.3931   4.4184  124.130   56.694   65.601   32.405 58.52871 65.30128 
1 1 1    8    1   39 o   84.488   27.293   1.7728   3.1954   4.6428   4.0409  -3.0170   5.2203   96.392   41.264   72.585   35.734 23.80672 54.58540 
1 1 1    8    2    0 o  166.746   19.542   8.5601   2.4110   8.5601   2.4110   8.5601   2.4110  166.746   27.636  166.746   27.636 -0.000000 0.000000 
1 1 1    8    2    2 o  1076.39   14.042  331.013   8.4473  332.183   10.921  329.271   13.328  1078.87   17.750  1073.90   21.763 4.970825 28.08325 
1 1 1    8    2    4 o  252.889   22.246   18.191   3.1987   17.002   4.3244   19.628   4.7533  243.821   31.100  261.956   31.818 -18.13509 44.49248 
1 1 1    8    2    6 o  454.938   10.616   59.139   2.7416   59.864   3.7165   58.273   4.0608  458.022   14.228  451.855   15.759 6.166382 21.23168 
1 1 1    8    2    8 o  933.374   18.646  248.388   9.1284  246.980   10.927  251.640   16.609  929.662   20.610  937.087   31.079 -7.425354 37.29188 
1 1 1    8    2   10 o  1274.26   16.003  464.898   11.620  443.086   16.421  486.777   16.446  1244.20   23.142  1304.32   22.109 -60.11511 32.00607 
1 1 1    8    2   12 o  1070.46   12.186  327.637   7.4388  328.165   10.468  327.098   10.572  1071.35   17.134  1069.57   17.333 1.776855 24.37223 
1 1 1    8    2   14 o  738.615   9.7621  156.094   4.1055  162.020   5.7235  149.812   5.8924  753.127   13.326  724.103   14.269 29.02393 19.52413 
1 1 1    8    2   16 o  583.325   10.135   96.760   3.3232   94.670   4.3261   99.770   5.1907  575.756   13.175  590.895   15.404 -15.13916 20.26982 
1 1 1    8    2   18 o  1289.55   13.816  476.334   10.116  485.003   13.751  466.110   14.934  1302.55   18.512  1276.56   20.514 25.98816 27.63181 
1 1 1    8    2   20 o  1966.68   14.823  1101.96   16.541  1144.01   24.852  1068.52   22.163  2000.02   21.789  1933.34   20.102 66.68213 29.64538 
1 1 1    8    2   22 o  781.249   15.543  174.657   6.9239  173.016   9.8398  176.265   9.7447  777.589   22.189  784.908   21.770 -7.318542 31.08520 
1 1 1    8    2   24 o  431.871   14.728   52.931   3.5413   51.275   4.5090   55.598   5.7206  423.314   18.678  440.427   22.776 -17.11328 29.45521 
1 1 1    8    2   26 o  514.591   11.635   75.949   3.4070   70.732   4.8447   81.053   4.7922  496.995   17.093  532.187   15.790 -35.19226 23.27014 
1 1 1    8    2   28 o  201.865   22.611   11.873   2.5124   9.5285   3.3603   14.845   3.7835  177.684   34.405  226.047   29.349 -48.36272 45.22231 
1 1 1    8    2   30 o  121.022   27.082   3.9746   2.4545  -0.3262   3.7224   7.2829   3.2647   89.212   38.897  152.833   37.693 -63.62103 54.16388 
1 1 1    8    2   32 o   86.518   26.293  -0.0788   2.3831   1.6532   3.5075  -1.5640   3.2479   97.824   39.878   75.211   34.280 22.61320 52.58693 
1 1 1    8    2   34 o  141.862   28.753   5.9277   2.6752   2.2123   3.4202   11.783   4.2938   98.447   39.650  185.276   41.650 -86.82912 57.50525 
1 1 1    8    2   36 o  111.986   34.421   3.3860   4.1857   6.1355   5.9714   0.7300   5.8689  124.138   51.465   99.834   45.723 24.30377 68.84176 
1 1 1    8    2   38 o  102.546   30.839   4.7348   3.2509   2.5538   5.8326   5.7176   3.9155   94.757   44.157  110.335   43.060 -15.57872 61.67712 
1 1 1    8    3    1 o  966.810   15.231  266.879   8.3976  264.603   11.876  269.155   11.876  962.682   21.631  970.938   21.448 -8.256409 30.46227 
1 1 1    8    3    3 o  1201.97   15.582  412.587   10.680  405.710   15.098  419.476   15.110  1191.94   22.211  1212.02   21.860 -20.08093 31.16451 
1 1 1    8    3    5 o  609.778   17.611  104.326   5.5889  110.982   10.430  101.646   6.6194  622.908   29.361  596.648   19.454 26.25995 35.22110 
1 1 1    8    3    7 o  759.765   15.390  164.963   6.6679  163.247   9.4302  166.679   9.4295  755.805   21.878  763.726   21.650 -7.920654 30.77976 
1 1 1    8    3    9 o  1410.45   22.947  571.135   18.455  561.902   26.170  580.269   26.030  1399.01   32.801  1421.90   32.101 -22.88525 45.89491 
1 1 1    8    3   11 f  214.773   11.275   13.142   1.3772   12.687   1.8679   13.685   2.0386  210.721   15.544  218.825   16.336 -8.103760 22.54956 
1 1 1    8    3   13 o  849.368   11.373  206.229   5.5076  205.782   7.7108  206.694   7.8696  848.449   15.936  850.287   16.229 -1.838074 22.74508 
1 1 1    8    3   15 o  447.655   9.8087   57.263   2.3902   57.304   2.9677   57.187   4.0327  448.005   11.616  447.305   15.809 0.7003174 19.61747 
1 1 1    8    3   17 o  551.109   10.894   86.963   3.4124   89.572   4.6815   84.005   4.9845  559.998   14.659  542.219   16.119 17.77844 21.78807 
1 1 1    8    3   19 o  791.975   10.725  178.451   4.7987  183.867   7.3531  174.434   6.3333  802.329   16.070  781.621   14.208 20.70764 21.45067 
1 1 1    8    3   21 o  548.352   15.920   86.062   4.9763   83.895   7.0785   88.179   6.9973  541.491   22.922  555.213   22.099 -13.72223 31.84039 
1 1 1    8    3   23 f  460.681   13.845   60.636   3.6171   61.415   5.4251   60.013   4.8532  463.267   20.535  458.096   18.577 5.170715 27.69078 
1 1 1    8    3   25 o  220.440   21.032   14.267   2.5952   16.278   3.5340   11.914   3.8233  237.892   26.049  202.988   33.027 34.90396 42.06395 
1 1 1    8    3   27 o  411.964   15.100   48.823   3.5467   47.988   5.0371   49.644   4.9949  408.425   21.626  415.504   21.079 -7.079407 30.19963 
1 1 1    8    3   29 o  100.158   27.247   2.0443   2.2150   2.8068   3.1096   1.2588   3.1559  106.529   39.082   93.787   37.976 12.74192 54.49385 
1 1 1    8    3   31 o  178.675   30.771   9.8031   2.8897   11.702   5.3833   9.0344   3.4250  187.801   49.547  169.548   36.502 18.25235 61.54123 
1 1 1    8    3   33 o  102.214   28.473   2.4013   2.4509   3.2373   3.5694   1.6556   3.3712  109.090   41.490   95.338   39.006 13.75175 56.94655 
1 1 1    8    3   35 o   90.565   29.936  -2.2106   3.0674   2.4964   6.5271  -3.5449   3.4750  114.189   50.579   66.942   32.039 47.24686 59.87278 
1 1 1    8    3   37 o   93.749   29.095   1.8941   3.0207   4.1212   4.4803   0.0380   4.0901  104.942   44.120   82.556   37.942 22.38548 58.19062 
1 1 1    8    3   39 o  105.324   30.541   6.3847   3.1155   7.9859   4.0413   4.0393   4.8913  118.621   44.360   92.026   41.992 26.59554 61.08297 
1 1 1    8    4    0 o  755.982   15.041  163.458   9.1544  163.458   9.1544  163.458   9.1544  755.982   21.272  755.982   21.272 -0.000000 0.000000 
1 1 1    8    4    2 o  1665.66   16.383  792.427   15.563  795.871   22.010  788.983   22.008  1669.29   23.120  1662.03   23.219 7.251465 32.76675 
1 1 1    8    4    4 o  912.713   18.518  238.232   9.1114  237.749   15.686  238.478   11.193  911.653   30.171  913.773   21.480 -2.119873 37.03580 
1 1 1    8    4    8 o  774.311   14.318  170.949   6.2415  173.916   9.6679  168.828   8.1730  779.920   21.736  768.703   18.644 11.21759 28.63659 
1 1 1    8    4   10 o  296.809   8.6028   25.052   1.4455   24.392   1.9198   25.918   2.1965  292.324   11.516  301.294   12.783 -8.970367 17.20552 
1 1 1    8    4   12 o  1056.72   13.904  318.983   8.1882  316.783   10.501  322.396   13.078  1052.48   17.496  1060.95   21.614 -8.469482 27.80804 
1 1 1    8    4   14 o  876.971   14.248  219.250   6.9604  215.926   8.9018  224.480   11.165  868.815   17.966  885.128   22.119 -16.31268 28.49657 
1 1 1    8    4   16 o  614.995   11.618  108.169   3.9638  108.412   5.0545  107.779   6.3879  616.061   14.387  613.929   18.245 2.131592 23.23512 
1 1 1    8    4   18 o  1024.96   10.905  300.053   6.3742  297.461   8.9920  302.671   9.0372  1020.51   15.451  1029.42   15.394 -8.905762 21.81046 
1 1 1    8    4   20 o  979.648   12.924  274.209   7.2200  278.004   10.255  270.478   10.167  986.375   18.230  972.922   18.325 13.45264 25.84804 
1 1 1    8    4   22 o  159.038   24.092   7.5639   2.1233   8.8089   3.0198   6.3468   2.9860  172.430   31.884  145.646   36.125 26.78336 48.18333 
1 1 1    8    4   24 o  796.258   11.968  181.185   5.4294  170.332   7.5696  192.686   7.7920  771.679   17.201  820.837   16.646 -49.15765 23.93600 
1 1 1    8    4   26 o  475.818   15.298   61.903   3.9608   55.410   4.8202   75.400   6.9498  439.596   19.227  512.040   23.800 -72.44449 30.59633 
1 1 1    8    4   28 o  237.513   20.284   16.167   2.7069   20.559   4.0681   12.677   3.6262  266.359   26.781  208.666   30.472 57.69286 40.56852 
1 1 1    8    4   30 o  139.591   28.946   5.7791   2.5641   8.6717   3.8007   3.3630   3.4736  165.887   40.523  113.296   41.345 52.59087 57.89206 
1 1 1    8    4   32 o   94.136   26.399   1.4128   2.2977  -1.6842   3.6612   3.4251   2.9512   79.675   36.346  108.597   38.295 -28.92213 52.79713 
1 1 1    8    4   34 o  119.656   33.442   4.1737   3.3134   4.8944   5.2894   3.7082   4.2507  125.538   49.725  113.773   44.730 11.76529 66.88308 
1 1 1    8    4   36 o   68.566   23.682  -5.1605   2.9213  -3.8873   4.6418  -5.9956   3.7592   75.698   36.437   61.434   30.259 14.26382 47.36302 
1 1 1    8    4   38 o   69.468   23.428  -1.9925   2.6735  -5.4271   4.2990   0.1734   3.4140   64.032   31.691   74.904   34.513 -10.87224 46.85600 
1 1 1    8    5    1 o  1195.15   15.526  407.936   10.582  407.261   14.960  408.613   14.970  1194.16   21.968  1196.14   21.946 -1.982178 31.05180 
1 1 1    8    5    3 o  2220.65   17.752  1409.31   22.481  1405.91   31.795  1412.71   31.790  2217.96   25.137  2223.33   25.072 -5.371582 35.50323 
1 1 1    8    5    5 o  1733.23   20.265  868.462   18.840  886.474   23.149  833.129   32.423  1761.20   23.048  1705.27   33.340 55.92480 40.53091 
1 1 1    8    5    7 o  1379.62   22.696  545.839   17.854  535.370   25.261  556.289   25.239  1366.32   32.420  1392.92   31.772 -26.59546 45.39282 
1 1 1    8    5    9 o  418.664   14.414   50.150   3.3440   50.220   4.2550   50.038   5.4077  419.193   17.799  418.135   22.678 1.058044 28.82857 
1 1 1    8    5   11 o  354.959   9.4627   35.986   1.9144   37.643   2.7224   34.366   2.6926  363.051   13.149  346.868   13.612 16.18262 18.92534 
1 1 1    8    5   13 o  150.259   28.649   6.7636   2.5520   8.3357   3.5811   5.1414   3.6378  166.496   38.486  134.023   42.448 32.47365 57.29726 
1 1 1    8    5   15 o  578.731   10.169   95.684   3.3561   95.713   4.7409   95.654   4.7516  578.821   14.362  578.641   14.399 0.1793823 20.33741 
1 1 1    8    5   17 o  765.053   10.703  167.057   4.6613  169.304   6.8166  165.084   6.3885  769.846   15.526  760.260   14.735 9.586731 21.40518 
1 1 1    8    5   19 o  319.537   11.772   30.395   2.0323   33.925   2.5921   24.763   3.2744  344.735   13.185  294.339   19.507 50.39575 23.54466 
1 1 1    8    5   21 f  852.270   15.385  207.763   7.4774  210.183   10.629  205.391   10.521  857.186   21.743  847.355   21.773 9.831299 30.77012 
1 1 1    8    5   23 o  255.861   16.269   18.684   2.2948   19.036   3.7781   18.479   2.8888  257.608   25.717  254.115   19.934 3.493912 32.53803 
1 1 1    8    5   25 o  385.070   15.606   43.562   3.1941   39.684   5.5110   45.524   3.9197  371.370   26.021  398.771   17.236 -27.40109 31.21191 
1 1 1    8    5   27 o  319.271   16.559   27.867   2.9312   21.104   3.7149   39.024   4.7715  270.490   24.082  368.051   22.733 -97.56058 33.11710 
1 1 1    8    5   29 o   96.721   26.706   1.4527   2.0986   0.4442   2.6387   3.1885   3.4619   80.989   33.944  112.454   41.239 -31.46581 53.41212 
1 1 1    8    5   31 o   79.886   24.232   0.1466   1.9794   0.3413   2.7803  -0.0536   2.8187   81.012   34.442   78.760   34.095 2.252335 48.46325 
1 1 1    8    5   33 o  129.927   33.165   4.1080   3.5434   9.7726   5.2489  -0.6350   4.8029  164.849   50.804   95.005   42.646 69.84424 66.33066 
1 1 1    8    5   35 o  102.538   27.299   1.2212   3.0128  -9.8782   5.1681   6.9351   3.7081   68.184   33.916  136.891   42.787 -68.70692 54.59867 
1 1 1    8    5   37 o   76.313   25.074  -0.5945   2.6110  -1.0872   4.0528  -0.2449   3.4138   77.044   36.195   75.582   34.710 1.461487 50.14823 
1 1 1    8    5   39 o   99.961   29.654   5.6403   2.9136   6.3260   3.7767   4.6324   4.5791  106.531   42.074   93.392   41.801 13.13908 59.30848 
1 1 1    8    6    0 o  107.041   23.807   4.1108   1.8051   4.1108   1.8051   4.1108   1.8051  107.041   33.668  107.041   33.668 -0.000000 0.000000 
1 1 1    8    6    2 o  908.245   15.118  235.645   7.8291  230.639   11.062  240.669   11.082  898.564   21.588  917.927   21.169 -19.36292 30.23504 
1 1 1    8    6    4 o  464.250   20.786   61.688   5.5024   60.177   7.7485   63.226   7.8151  458.500   29.634  470.000   29.157 -11.50034 41.57268 
1 1 1    8    6    6 o  113.916   25.042   3.6215   1.7279   3.4786   2.1184   3.9056   2.9867  109.216   31.971  118.616   38.553 -9.400002 50.08452 
1 1 1    8    6    8 o  830.339   17.195  194.308   7.0817  191.220   8.1655  203.681   14.225  818.045   17.503  842.632   29.602 -24.58698 34.38961 
1 1 1    8    6   10 o  545.407   13.625   85.739   3.9316   86.851   4.7615   83.355   6.9700  551.343   15.144  539.470   22.655 11.87341 27.25056 
1 1 1    8    6   12 o  430.205   13.496   51.078   2.8622   56.747   5.8817   49.318   3.2763  444.921   23.181  415.490   13.827 29.43155 26.99158 
1 1 1    8    6   14 o  1296.51   16.905  481.860   12.469  481.264   17.049  482.545   18.284  1295.89   23.070  1297.13   24.717 -1.242310 33.81055 
1 1 1    8    6   16 o  230.560   13.290   15.230   1.7439   14.337   2.4907   16.089   2.4425  223.893   19.507  237.228   18.054 -13.33531 26.57930 
1 1 1    8    6   18 o  403.068   11.914   46.427   2.7348   43.277   3.8429   49.661   3.8928  389.187   17.314  416.949   16.372 -27.76224 23.82881 
1 1 1    8    6   20 o  166.537   16.778   7.9389   1.5917   7.4592   2.2387   8.4293   2.2635  161.434   24.317  171.641   23.124 -10.20734 33.55683 
1 1 1    8    6   22 o  595.702   13.608  101.617   4.6153   95.379   6.5481  107.775   6.5061  577.451   19.884  613.953   18.582 -36.50189 27.21533 
1 1 1    8    6   24 o  512.145   12.473   75.080   3.6156   75.215   4.8290   74.908   5.4542  512.783   16.513  511.508   18.698 1.275055 24.94582 
1 1 1    8    6   26 o  326.199   17.857   30.899   3.2954   33.676   4.5325   27.785   4.7999  342.132   23.230  310.266   27.127 31.86551 35.71452 
1 1 1    8    6   28 o  169.329   27.273   8.7444   2.5550   8.4121   3.3776   9.1890   3.9065  165.922   36.671  172.736   40.381 -6.813828 54.54691 
1 1 1    8    6   30 o  175.288   23.783   9.5950   2.2933   11.588   3.1367   7.3070   3.3613  198.262   27.743  152.314   38.637 45.94890 47.56565 
1 1 1    8    6   32 o  114.221   28.113   2.9415   2.7039   7.1049   3.6662  -2.0238   4.0037  146.576   41.810   81.865   37.593 64.71136 56.22528 
1 1 1    8    6   34 o  149.761   33.555   7.9606   3.0615   9.4336   5.4248   7.2722   3.7085  156.263   52.016  143.260   42.403 13.00264 67.10929 
1 1 1    8    6   36 o  106.693   29.343   3.5738   2.8857  -0.4009   4.3223   6.7700   3.8760   84.402   38.869  128.984   43.968 -44.58114 58.68600 
1 1 1    8    6   38 f   81.253   26.179   1.0005   2.8000  -1.8058   4.3794   2.9408   3.6416   73.060   35.224   89.446   38.737 -16.38631 52.35732 
1 1 1    8    7    1 o  600.042   14.906  102.894   5.0982   99.085   7.2068  106.710   7.2131  588.901   21.459  611.183   20.695 -22.28168 29.81195 
1 1 1    8    7    3 o  519.118   14.910   77.002   4.4141   77.737   6.2454   76.268   6.2394  521.597   20.996  516.638   21.177 4.958862 29.82098 
1 1 1    8    7    7 o  837.097   14.962  200.423   7.1421  197.577   10.103  203.266   10.098  831.138   21.314  843.055   21.004 -11.91760 29.92429 
1 1 1    8    7    9 o  638.513   17.456  116.783   5.4278  116.722   6.2263  116.977   11.078  639.014   17.086  638.012   30.446 1.002441 34.91233 
1 1 1    8    7   11 o  358.940   12.664   36.516   1.9940   36.328   2.2002   37.382   4.7169  356.730   10.815  361.151   22.902 -4.421753 25.32708 
1 1 1    8    7   13 o  548.759   11.974   85.900   3.6941   84.880   4.8210   87.350   5.7495  544.948   15.513  552.570   18.245 -7.622559 23.94839 
1 1 1    8    7   15 o  403.973   11.636   46.547   2.6778   49.600   3.8807   43.772   3.6998  416.599   16.334  391.347   16.578 25.25165 23.27289 
1 1 1    8    7   17 o  870.202   10.796  216.620   5.3470  209.984   7.7408  222.676   7.3946  857.381   15.831  883.022   14.684 -25.64069 21.59298 
1 1 1    8    7   19 o  595.311   11.899  101.706   3.9442   98.994   6.2551  103.497   5.0818  588.572   18.635  602.051   14.801 -13.47931 23.79803 
1 1 1    8    7   21 o  1039.51   13.960  306.602   8.1895  293.467   10.733  324.907   12.670  1013.23   18.574  1065.79   20.846 -52.55182 27.92052 
1 1 1    8    7   23 o  284.831   14.374   23.338   2.3194   22.103   3.4282   24.381   3.1497  277.768   21.642  291.895   18.921 -14.12698 28.74708 
1 1 1    8    7   25 o  271.032   16.481   21.026   2.5418   22.995   3.7220   19.305   3.4794  282.900   23.070  259.164   23.542 23.73630 32.96124 
1 1 1    8    7   27 f  189.635   29.795   10.893   3.1229   12.377   4.7402   9.7552   4.1511  200.961   42.680  178.310   41.586 22.65083 59.58946 
1 1 1    8    7   29 o  232.973   19.338   15.878   2.5465   13.227   3.5210   18.786   3.6874  212.194   29.096  253.751   25.481 -41.55756 38.67645 
1 1 1    8    7   31 o  220.137   28.762   15.110   3.3462   16.256   5.7774   14.531   4.1048  221.447   47.191  218.828   32.893 2.618912 57.52354 
1 1 1    8    7   33 o  141.728   30.835   6.9437   2.7460   6.3294   4.0332   7.4745   3.7491  135.983   44.831  147.473   42.349 -11.49040 61.67011 
1 1 1    8    7   35 o  105.839   30.313   3.3417   2.8819   2.2166   4.2125   4.3315   3.9512   99.280   42.305  112.397   43.425 -13.11752 60.62533 
1 1 1    8    7   37 o   77.457   25.659  -1.9261   2.9021   2.5809   4.3572  -5.5195   3.8906   93.384   41.346   61.530   30.397 31.85437 51.31750 
1 1 1    8    8    0 o  573.974   14.952   94.426   6.9002   94.426   6.9002   94.426   6.9002  573.974   21.145  573.974   21.145 0.000000 0.000000 
1 1 1    8    8    2 o  699.931   14.914  140.034   5.9518  143.434   8.4204  136.639   8.4138  708.442   20.842  691.420   21.338 17.02167 29.82786 
1 1 1    8    8    6 o  846.135   15.032  204.825   7.2512  198.605   10.249  211.058   10.260  833.233   21.569  859.038   20.944 -25.80573 30.06447 
1 1 1    8    8    8 o  602.019   21.811  104.192   7.4812  110.008   10.625   98.475   10.535  618.794   30.109  585.244   31.566 33.55023 43.62290 
1 1 1    8    8   10 o  571.089   20.068   94.318   6.1172   95.450   7.4661   92.005   10.670  577.134   22.684  565.044   33.112 12.08972 40.13675 
1 1 1    8    8   12 f  478.632   15.995   65.515   4.3609   69.805   6.3281   61.634   6.0181  493.539   22.483  463.724   22.756 29.81540 31.98992 
1 1 1    8    8   14 f  676.291   11.171  132.887   4.1290  122.709   6.7583  138.949   5.2155  655.050   18.091  697.532   13.111 -42.48163 22.34272 
1 1 1    8    8   16 o  808.185   12.341  186.773   5.6751  188.222   7.7851  185.129   8.2905  811.599   16.820  804.771   18.064 6.828003 24.68241 
1 1 1    8    8   18 o  462.323   10.681   59.788   2.7689   54.695   3.5477   67.725   4.4290  437.689   14.213  486.958   15.948 -49.26904 21.36280 
1 1 1    8    8   20 o  384.950   16.549   42.399   3.6271   42.607   5.2884   42.213   4.9841  385.804   24.036  384.095   22.754 1.709015 33.09802 
1 1 1    8    8   22 o  295.409   16.277   24.978   2.7084   24.857   3.5583   25.143   4.1758  294.671   21.175  296.148   24.725 -1.477203 32.55312 
1 1 1    8    8   24 o  422.162   13.425   51.012   3.1586   51.274   5.0372   50.843   4.0547  422.846   20.889  421.478   16.869 1.367432 26.84996 
1 1 1    8    8   26 o  250.586   22.633   20.404   2.7571   23.876   3.4003   13.739   4.7111  288.182   20.690  212.990   40.260 75.19193 45.26538 
1 1 1    8    8   28 o  100.647   31.190  -0.5792   3.3968   0.9425   4.1786  -3.5438   5.8325  102.542   42.826   98.751   45.357 3.790993 62.38036 
1 1 1    8    8   30 o  132.163   31.884   5.1596   2.9561   3.4227   4.1996   6.8655   4.1618  117.609   44.939  146.717   45.242 -29.10756 63.76788 
1 1 1    8    8   32 o  104.041   24.212   1.3028   2.4451  -7.6055   3.9240   6.9568   3.1262   62.319   30.738  145.764   37.417 -83.44473 48.42378 
1 1 1    8    8   34 o  159.536   30.901   9.3365   2.9282   7.8518   4.1842   10.762   4.0994  145.401   45.451  173.670   41.878 -28.26917 61.80267 
1 1 1    8    8   36 o  110.415   30.261   4.6261   2.7750   6.4330   4.0328   3.0012   3.8244  123.113   44.606   97.717   40.904 25.39614 60.52184 
1 1 1    8    8   38 o   72.665   24.579  -0.9066   2.8697  -0.9614   4.3121  -0.8631   3.8447   73.861   35.440   71.470   34.066 2.391533 49.15804 
1 1 1    8    9    1 o  1407.42   15.877  566.500   12.744  565.950   18.016  567.050   18.029  1406.73   22.457  1408.10   22.451 -1.367676 31.75493 
1 1 1    8    9    5 o  649.973   14.766  120.849   5.4729  118.749   7.7343  122.955   7.7455  644.301   21.049  655.644   20.715 -11.34332 29.53291 
1 1 1    8    9    7 o  278.924   15.667   22.289   2.4898   23.432   3.5227   21.149   3.5194  286.100   21.591  271.748   22.709 14.35239 31.33494 
1 1 1    8    9    9 o  216.439   27.106   13.761   3.2623   15.513   4.6907   12.120   4.5402  231.846   35.477  201.031   40.992 30.81535 54.21216 
1 1 1    8    9   11 o  120.225   21.699   4.5251   1.4863   5.2643   1.8476   3.1695   2.5022  133.290   25.230  107.160   35.310 26.13058 43.39759 
1 1 1    8    9   13 o  402.042   13.816   46.847   2.7789   47.517   3.2431   44.998   5.3903  407.857   13.943  396.227   23.855 11.62921 27.63105 
1 1 1    8    9   15 o  316.227   18.005   27.499   2.9803   31.573   5.5960   25.886   3.5213  331.641   29.588  300.812   20.526 30.82883 36.01085 
1 1 1    8    9   17 o  817.036   12.864  190.716   5.9933  188.053   8.3949  193.484   8.5589  811.225   18.146  822.847   18.239 -11.62213 25.72840 
1 1 1    8    9   19 o  327.799   15.014   30.727   2.8066   30.946   3.9840   30.512   3.9545  328.957   21.236  326.641   21.229 2.316467 30.02752 
1 1 1    8    9   21 o  654.777   12.750  122.262   4.7327  119.863   6.3288  125.305   7.1285  647.592   17.137  661.962   18.883 -14.37012 25.49966 
1 1 1    8    9   23 o  134.495   26.428   5.4193   2.1041   4.8829   3.1119   5.8710   2.8559  129.171   38.983  139.819   35.694 -10.64734 52.85560 
1 1 1    8    9   25 o  282.855   15.045   22.632   2.4055   19.069   3.2013   27.254   3.6458  257.616   21.790  308.094   20.750 -50.47803 30.08901 
1 1 1    8    9   27 o  214.608   22.183   13.507   2.6803   13.895   3.5519   12.993   4.0846  218.643   28.486  210.573   34.014 8.069229 44.36652 
1 1 1    8    9   29 o  251.775   35.768   22.217   4.7661   26.609   5.9554   14.394   7.9489  297.977   35.046  205.573   62.363 92.40329 71.53532 
1 1 1    8    9   31 o  137.584   28.151   6.0040   2.3533   7.6584   3.5278   4.6776   3.1589  153.104   39.973  122.064   39.648 31.04030 56.30118 
1 1 1    8    9   33 f   97.813   27.343   2.0534   2.4209   3.9873   3.1920  -0.5654   3.7144  112.048   39.793   83.578   37.511 28.47000 54.68571 
1 1 1    8    9   35 o   68.537   23.005  -2.4865   2.2728  -1.1698   3.8409  -3.1959   2.8194   78.231   36.243   58.844   28.343 19.38670 46.00949 
1 1 1    8    9   37 o   78.846   25.797  -0.1420   2.8322  -2.7737   4.1122   2.2329   3.9065   69.632   33.708   88.059   39.061 -18.42726 51.59445 
1 1 1    8   10    0 o  463.915   15.007   61.847   5.5882   61.847   5.5882   61.847   5.5882  463.915   21.223  463.915   21.223 0.000000 0.000000 
1 1 1    8   10    2 o  1102.18   21.745  347.558   13.668   0.0000   0.0000  347.558   13.668  ?   ?   1102.18   21.745      ?      ? 
1 1 1    8   10    4 o  1499.06   22.662  645.932   19.372  651.565   27.372  640.279   27.421  1505.67   31.878  1492.44   32.218 13.22351 45.32309 
1 1 1    8   10    6 o  1019.82   15.228  297.773   8.8560  294.010   12.526  301.534   12.523  1013.35   21.675  1026.29   21.396 -12.93713 30.45623 
1 1 1    8   10    8 o  459.369   15.220   60.441   3.9873   60.556   5.6348   60.326   5.6430  459.809   21.489  458.930   21.561 0.8796387 30.44065 
1 1 1    8   10   10 f  365.990   26.829   38.969   5.5650   35.778   8.1006   41.822   7.6583  351.364   40.427  380.615   35.282 -29.25125 53.65752 
1 1 1    8   10   12 o  514.469   13.642   75.501   3.4902   76.196   6.9196   75.264   4.0420  515.625   23.532  513.312   13.808 2.313293 27.28371 
1 1 1    8   10   14 o  104.262   27.623   2.4307   2.0658   1.3910   4.0628   2.7932   2.3991  106.313   43.075  102.210   34.593 4.103165 55.24582 
1 1 1    8   10   16 o  521.565   18.723   73.254   3.9444   71.422   4.2471   84.751   10.640  500.104   14.891  543.026   34.358 -42.92194 37.44600 
1 1 1    8   10   18 o  325.740   12.709   28.781   2.2910   37.046   3.8535   24.263   2.8491  360.045   18.767  291.434   17.143 68.61081 25.41834 
1 1 1    8   10   20 o  255.622   12.892   18.827   1.7929   19.191   2.2354   18.171   3.0018  259.211   15.122  252.034   20.885 7.176880 25.78487 
1 1 1    8   10   22 o  317.144   14.992   28.745   2.6498   29.125   4.2340   28.500   3.3973  318.714   23.294  315.574   18.877 3.140015 29.98314 
1 1 1    8   10   24 o  778.135   11.708  173.529   5.1693  175.314   6.9893  171.374   7.6805  782.719   15.658  773.551   17.410 9.168274 23.41574 
1 1 1    8   10   26 o  314.505   18.559   28.824   3.3031   25.474   4.7593   31.937   4.5880  296.406   28.155  332.604   24.188 -36.19809 37.11887 
1 1 1    8   10   28 o  151.731   36.966   4.7012   3.7684   12.329   7.0782   1.6840   4.4517  194.216   58.833  109.246   44.774 84.96986 73.93282 
1 1 1    8   10   30 o  142.104   30.338   6.5411   2.6452   6.9011   3.3834   5.9751   4.2424  146.530   39.563  137.677   46.004 8.852356 60.67620 
1 1 1    8   10   32 o  115.383   26.972   2.9644   2.5165  -1.5850   3.4633   8.0528   3.6627   76.604   35.098  154.163   40.963 -77.55912 53.94333 
1 1 1    8   10   34 o  122.211   29.834   4.7867   2.7512   1.5918   3.7078   8.7009   4.1039   93.117   39.685  151.304   44.558 -58.18707 59.66808 
1 1 1    8   10   36 o   64.560   21.971  -2.8661   2.3845  -2.8224   3.4058  -2.9081   3.3395   65.041   31.283   64.079   30.860 0.9618454 43.94265 
1 1 1    8   10   38 o   75.888   25.069   0.7902   2.6180   1.8772   4.1604   0.0776   3.3686   81.224   37.662   70.552   33.098 10.67230 50.13890 
1 1 1    8   11    1 o  245.441   20.139   17.850   2.6020   15.771   4.5293   18.873   3.1789  234.096   33.927  256.786   21.708 -22.68968 40.27746 
1 1 1    8   11    3 o  492.711   29.569   69.736   8.3083   69.736   8.3083   0.0000   0.0000  492.711   29.569  ?   ?       ?      ? 
1 1 1    8   11    5 o  322.301   15.417   29.753   2.8332   29.092   4.0077   30.413   4.0058  318.708   22.050  325.893   21.554 -7.184967 30.83453 
1 1 1    8   11    7 o  721.768   15.165  149.227   6.2413  146.399   8.8255  152.057   8.8276  714.896   21.647  728.640   21.244 -13.74408 30.33012 
1 1 1    8   11    9 o  623.509   15.251  111.376   5.4157  119.047   7.7202  103.944   7.5991  644.723   20.997  602.295   22.124 42.42755 30.50152 
1 1 1    8   11   11 o  525.880   19.978   75.276   5.6119   91.339   10.242   68.384   6.7086  563.344   31.880  488.416   24.085 74.92813 39.95533 
1 1 1    8   11   13 o  111.992   22.839   3.9869   1.5946   1.2750   3.0180   5.0371   1.8782   93.731   37.423  130.252   26.193 -36.52042 45.67839 
1 1 1    8   11   15 o  881.235   14.415  222.555   7.1382  219.191   11.040  224.973   9.3572  875.276   22.117  887.195   18.494 -11.91992 28.83075 
1 1 1    8   11   17 o  1575.24   28.731  722.463   24.590  741.037   30.681  689.104   41.117  1606.44   33.490  1544.04   46.695 62.40344 57.46286 
1 1 1    8   11   19 o  909.082   19.093  234.475   9.2553  243.586   16.435  230.244   11.200  921.087   31.287  897.078   21.893 24.00983 38.18624 
1 1 1    8   11   21 o  175.972   22.066   9.0821   2.1202   8.9658   3.3331   9.1612   2.7478  173.309   34.930  178.636   26.973 -5.326462 44.13191 
1 1 1    8   11   23 o  591.126   11.665  100.085   3.9272   98.206   5.6706  101.817   5.4442  585.726   16.976  596.527   16.003 -10.80121 23.33021 
1 1 1    8   11   25 f  335.528   16.005   33.125   2.9940   26.538   4.3845   38.880   4.0982  303.170   25.359  367.886   19.534 -64.71576 32.01061 
1 1 1    8   11   27 o  274.907   20.826   22.163   3.2096   22.454   4.1909   21.751   4.9913  277.757   26.458  272.058   32.171 5.698944 41.65298 
1 1 1    8   11   29 f  125.767   36.453   2.8283   4.2547   4.8526   5.2842  -0.9031   7.1742  133.973   50.595  117.562   52.491 16.41103 72.90562 
1 1 1    8   11   31 f   54.644   18.846  -4.5217   1.9091  -3.5354   2.4896  -5.9292   2.9742   54.926   26.501   54.362   26.803 0.5641937 37.69205 
1 1 1    8   11   33 o  112.335   30.132   3.4958   2.6750   1.7357   3.4443   6.1712   4.2464   93.700   38.986  130.969   45.956 -37.26910 60.26497 
1 1 1    8   11   35 o  106.356   29.922   4.0536   2.7151   5.0255   4.0476   3.2584   3.6610  113.016   43.871   99.697   40.703 13.31867 59.84431 
1 1 1    8   11   37 o   73.670   24.207  -0.1044   2.4677  -1.5698   3.4042   1.5184   3.5824   66.506   31.798   80.835   36.508 -14.32920 48.41469 
1 1 1    8   12    0 o  1336.66   15.767  511.026   16.987  511.026   16.987  511.026   16.987  1336.66   22.299  1336.66   22.299 0.000000 0.000000 
1 1 1    8   12    4 f  797.416   15.126  182.117   6.8781  184.397   9.7305  179.840   9.7238  802.425   21.264  792.407   21.518 10.01843 30.25149 
1 1 1    8   12    6 o  416.221   15.245   49.648   3.6143   46.602   5.0897   52.746   5.1333  403.288   22.130  429.154   20.974 -25.86649 30.49035 
1 1 1    8   12    8 f  480.293   15.534   66.104   4.2540   65.395   6.0562   66.794   5.9766  477.725   22.229  482.862   21.704 -5.136627 31.06784 
1 1 1    8   12   10 o  438.521   20.064   52.936   4.5184   60.569   8.7588   50.168   5.2744  458.528   33.496  418.514   22.099 40.01398 40.12868 
1 1 1    8   12   12 o  711.824   18.801  142.069   6.4206  151.377   13.590  139.395   7.2850  725.420   32.850  698.228   18.295 27.19183 37.60101 
1 1 1    8   12   14 o  560.974   17.413   90.102   5.5608   90.301   8.1131   89.926   7.6369  561.489   25.337  560.459   23.893 1.030396 34.82595 
1 1 1    8   12   16 o  304.724   15.250   27.181   2.5289   24.318   4.1381   28.888   3.1950  291.464   24.896  317.984   17.619 -26.51981 30.49919 
1 1 1    8   12   18 o  395.753   18.739   44.639   3.9567   44.216   4.8002   45.535   6.9881  393.171   21.409  398.335   30.762 -5.163727 37.47853 
1 1 1    8   12   20 o  554.580   16.696   86.976   5.0465   91.995   8.6055   84.345   6.2303  566.248   26.649  542.912   20.123 23.33630 33.39265 
1 1 1    8   12   22 o  220.190   21.807   14.170   2.6829   12.972   4.1294   15.045   3.5294  211.730   34.199  228.649   27.067 -16.91927 43.61395 
1 1 1    8   12   24 o  683.203   13.982  135.105   5.3965  144.781   7.3260  123.627   7.9795  710.545   18.079  655.861   21.334 54.68390 27.96424 
1 1 1    8   12   26 f  157.724   28.411   7.6956   2.5698   8.4376   3.5312   6.8602   3.7468  165.862   38.130  149.587   42.128 16.27473 56.82101 
1 1 1    8   12   28 o  181.245   28.236   12.055   2.9571   4.0687   5.1130   16.069   3.6248  128.767   49.494  233.724   27.195 -104.9569 56.47284 
1 1 1    8   12   30 o  124.442   35.084   3.3494   3.6997   1.6471   4.7252   6.0463   5.9476  107.698   45.296  141.186   53.591 -33.48850 70.16895 
1 1 1    8   12   32 o  121.472   32.307   4.7156   3.0387   4.8343   4.1588   4.5797   4.4507  122.029   45.124  120.915   46.248 1.114151 64.61497 
1 1 1    8   12   34 o   71.053   23.741  -2.7321   2.5776  -4.7914   3.6878  -0.7650   3.6044   64.103   31.234   78.003   35.764 -13.89992 47.48284 
1 1 1    8   12   36 o   69.079   22.601  -1.0195   2.2623  -5.6227   3.9639   1.2042   2.7551   61.333   30.369   76.824   33.480 -15.49144 45.20169 
1 1 1    8   13    3 o  633.345   14.834  114.900   5.3565  111.914   7.5773  117.882   7.5733  625.082   21.256  641.608   20.698 -16.52563 29.66844 
1 1 1    8   13    5 o  1098.71   15.477  345.899   9.6957  337.546   13.702  354.275   13.722  1085.37   22.137  1112.06   21.636 -26.69043 30.95426 
1 1 1    8   13    7 o  1033.16   15.460  305.749   9.1059  317.024   12.963  294.766   12.794  1052.01   21.607  1014.30   22.118 37.71301 30.92038 
1 1 1    8   13    9 o  943.594   14.906  254.974   8.0017  255.929   10.955  253.882   11.716  945.624   20.313  941.565   21.819 4.059143 29.81139 
1 1 1    8   13   11 o  273.370   12.117   21.403   1.7129   21.256   3.1788   21.463   2.0334  272.569   20.450  274.171   13.005 -1.601044 24.23465 
1 1 1    8   13   13 o  528.075   12.824   79.395   3.8544   84.859   5.6708   74.703   5.2548  544.890   18.249  511.260   18.023 33.62967 25.64877 
1 1 1    8   13   15 o  388.706   13.492   43.371   2.9765   47.485   4.1661   39.082   4.2540  407.670   17.920  369.742   20.175 37.92810 26.98378 
1 1 1    8   13   17 o  431.254   17.575   53.024   4.2669   54.631   6.6269   51.886   5.5767  436.681   26.611  425.826   22.964 10.85474 35.14933 
1 1 1    8   13   19 o  259.797   37.711   20.712   3.9088   18.929   10.420   21.004   4.2167  249.027   70.297  270.566   27.328 -21.53952 75.42178 
1 1 1    8   13   21 o   65.055   22.070  -4.2877   2.0669  -2.7091   3.7629  -4.9698   2.4734   79.295   36.424   50.816   24.933 28.47811 44.14044 
1 1 1    8   13   23 o  408.297   24.759   49.942   5.4587   43.261   8.9677   53.874   6.8802  384.537   40.893  432.057   27.923 -47.51999 49.51720 
1 1 1    8   13   25 o  248.746   34.556   18.706   4.2180   19.339   8.3679   18.490   4.8838  246.094   60.135  251.398   34.065 -5.304001 69.11291 
1 1 1    8   13   27 o   95.925   26.062   0.1023   2.3670   4.6854   3.4763  -3.8590   3.2319  125.925   41.626   65.926   31.371 59.99863 52.12379 
1 1 1    8   13   29 o  159.346   33.064   8.4649   3.2395   9.7643   4.4581   7.0112   4.7155  171.786   44.977  146.906   48.477 24.88000 66.12815 
1 1 1    8   13   31 o   92.937   28.015   0.9705   2.6147   1.5072   3.4606   0.2566   3.9916   94.346   39.152   91.528   40.082 2.818062 56.03069 
1 1 1    8   13   33 o   99.673   29.398   2.4267   2.7794   2.4251   3.9121   2.4283   3.9495   99.559   41.497   99.786   41.652 -0.2266388 58.79507 
1 1 1    8   13   35 o   77.292   23.962  -0.6128   2.1340   3.6223   3.3694  -3.4495   2.7575   98.909   39.523   55.675   27.102 43.23395 47.92303 
1 1 1    8   13   37 o   68.147   23.104  -1.6670   2.7069  -5.5323   4.2428   0.9864   3.5153   60.812   30.326   75.483   34.865 -14.67113 46.20896 
1 1 1    8   14    2 o  1179.19   15.559  398.409   10.463  397.832   14.798  398.986   14.796  1178.34   22.022  1180.05   21.986 -1.717041 31.11808 
1 1 1    8   14    4 o  1288.04   15.713  475.380   11.542  475.221   16.331  475.539   16.315  1287.82   22.236  1288.26   22.207 -0.4388428 31.42585 
1 1 1    8   14    6 o  1030.96   15.477  304.479   9.0978  297.831   12.866  311.129   12.867  1019.65   22.125  1042.27   21.647 -22.61908 30.95352 
1 1 1    8   14    8 o  596.099   15.393  101.728   5.2324  103.716   7.4547   99.798   7.3459  601.844   21.720  590.355   21.819 11.48840 30.78686 
1 1 1    8   14   10 o  1014.96   18.656  291.249   10.085  306.812   18.005  284.133   12.175  1033.49   30.548  996.420   21.425 37.07465 37.31254 
1 1 1    8   14   12 o  672.763   17.951  123.950   5.7809  140.251   12.450  119.469   6.5272  698.948   31.234  646.579   17.702 52.36938 35.90120 
1 1 1    8   14   14 o  123.014   31.661   3.7310   2.0274   0.0014   7.1750   4.0546   2.1136  129.166   55.131  116.862   31.148 12.30489 63.32155 
1 1 1    8   14   16 o  598.623   20.865  102.461   6.3432  103.443   12.169  102.094   7.4330  599.814   35.574  597.433   21.816 2.381042 41.73072 
1 1 1    8   14   18 o  636.053   17.196  115.583   6.1958  118.607   9.3702  113.233   8.2589  643.271   25.542  628.835   23.030 14.43555 34.39169 
1 1 1    8   14   20 o  231.873   30.992   17.374   3.2644   13.443   6.9051   18.506   3.7046  209.897   56.456  253.850   25.590 -43.95340 61.98438 
1 1 1    8   14   22 o  480.185   20.819   65.254   5.5538   72.369   9.1172   61.055   7.0030  500.041   31.972  460.330   26.676 39.71075 41.63887 
1 1 1    8   14   24 o  257.640   31.582   19.680   3.3024   20.618   8.3052   19.504   3.5991  255.358   58.312  259.921   24.281 -4.563416 63.16489 
1 1 1    8   14   26 o   99.143   27.893   0.4839   2.7985  -6.2259   4.7261   4.1071   3.4729   77.492   37.161  120.795   41.606 -43.30244 55.78565 
1 1 1    8   14   28 o   79.241   23.940  -3.5867   2.2970   3.0444   3.4562  -8.8326   3.0741  109.216   40.987   49.266   24.748 59.94978 47.87913 
1 1 1    8   14   30 o   87.848   28.116  -1.8145   2.9463   1.0571   4.8116  -3.5371   3.7267  103.708   44.721   71.987   34.089 31.72066 56.23203 
1 1 1    8   14   32 o   88.582   27.453   0.2143   2.7868  -3.4974   4.6915   2.2380   3.4642   80.117   38.029   97.047   39.604 -16.93031 54.90571 
1 1 1    8   14   34 o  117.603   29.423   5.1387   2.8434   0.9240   4.1274   8.9458   3.9228   87.950   39.503  147.256   43.617 -59.30537 58.84639 
1 1 1    8   14   36 o   80.562   26.101   1.2295   2.7027   0.5587   3.7010   1.9960   3.9561   76.783   35.574   84.342   38.204 -7.559021 52.20185 
1 1 1    8   15    3 o  986.054   15.280  278.464   8.5924  277.440   12.150  279.487   12.153  984.235   21.647  987.873   21.572 -3.638306 30.56014 
1 1 1    8   15    5 o  398.015   15.514   45.365   3.5212   46.092   4.9998   44.649   4.9600  401.187   21.853  394.844   22.027 6.343170 31.02854 
1 1 1    8   15    7 o  888.988   15.426  226.252   7.8208  227.059   11.067  225.447   11.053  890.574   21.791  887.401   21.841 3.173096 30.85261 
1 1 1    8   15    9 o  561.340   14.667   89.966   4.6674   88.550   6.2464   91.756   7.0232  556.440   19.684  566.241   21.749 -9.800415 29.33406 
1 1 1    8   15   11 o  127.286   30.573   1.7039   1.5554   9.5509   6.0584   1.1502   1.6094  180.343   54.385   74.230   27.947 106.1123 61.14558 
1 1 1    8   15   13 o  348.350   27.092   38.940   3.8838   29.219   9.1313   41.087   4.2913  317.576   50.419  379.125   19.848 -61.54901 54.18450 
1 1 1    8   15   15 o  943.534   32.359  255.597   17.412   0.0000   0.0000  255.597   17.412  ?   ?   943.534   32.359      ?      ? 
1 1 1    8   15   17 o  401.289   17.198   43.992   3.8242   55.549   6.4047   37.589   4.7673  440.254   25.510  362.325   23.072 77.92892 34.39544 
1 1 1    8   15   19 o  299.272   21.548   25.751   3.6667   26.225   5.4198   25.350   4.9790  301.712   31.499  296.832   29.413 4.880371 43.09678 
1 1 1    8   15   21 f  243.090   28.108   15.074   3.0918   22.013   7.2447   13.529   3.4187  269.531   48.935  216.649   27.670 52.88231 56.21621 
1 1 1    8   15   23 o  127.965   32.091   3.9274   2.6123   5.4386   5.2929   3.4408   3.0037  143.265   51.202  112.665   38.700 30.60001 64.18211 
1 1 1    8   15   25 o  175.553   31.435   9.6768   3.1589   8.6984   4.5471   10.589   4.3917  166.719   46.219  184.386   42.619 -17.66757 62.86907 
1 1 1    8   15   27 o  214.668   37.105   16.258   4.1644   12.134   8.6630   17.498   4.7492  188.431   65.666  240.905   34.568 -52.47357 74.20936 
1 1 1    8   15   29 o  162.601   28.422   8.8008   2.7386   5.3790   3.8766   12.210   3.8693  129.646   43.973  195.556   36.023 -65.91000 56.84401 
1 1 1    8   15   31 o   81.046   25.949  -2.8620   2.8707   1.9276   3.9408  -8.2767   4.1902   99.336   41.547   62.756   31.100 36.58014 51.89776 
1 1 1    8   15   33 o   80.998   25.775   0.1030   2.4872  -0.5221   3.8696   0.5430   3.2468   80.948   37.093   81.048   35.797 -0.1001358 51.54918 
1 1 1    8   15   35 o   69.550   23.304  -1.6085   2.5416  -4.1630   3.9518   0.1936   3.3193   64.453   31.601   74.647   34.260 -10.19418 46.60896 
1 1 1    8   16    0 o  301.776   15.690   26.442   3.7712   26.442   3.7712   26.442   3.7712  301.776   22.189  301.776   22.189 -0.000000 0.000000 
1 1 1    8   16    4 o  464.229   15.294   61.700   4.0486   61.055   5.7427   62.337   5.7086  461.802   21.805  466.656   21.451 -4.853851 30.58757 
1 1 1    8   16    6 o  544.871   15.832   84.982   4.9179   87.993   6.9979   82.043   6.9127  554.433   22.132  535.309   22.644 19.12408 31.66346 
1 1 1    8   16    8 o  546.364   15.683   85.437   4.8864   84.932   6.9308   85.936   6.8903  544.748   22.310  547.980   22.048 -3.232178 31.36654 
1 1 1    8   16   10 o  746.989   19.562  158.086   7.7226  164.829   13.955  155.109   9.2717  757.643   32.299  736.335   22.079 21.30798 39.12422 
1 1 1    8   16   12 o  558.609   19.919   87.062   5.2472   93.662   11.406   85.291   5.9096  570.922   35.033  546.296   18.969 24.62518 39.83857 
1 1 1    8   16   14 o  232.911   26.702   15.541   3.5467   0.0000   0.0000   15.541   3.5467  ?   ?   232.911   26.702      ?      ? 
1 1 1    8   16   16 o  596.100   34.727  102.273   11.805   0.0000   0.0000  102.273   11.805  ?   ?   596.100   34.727      ?      ? 
1 1 1    8   16   18 o  664.796   18.083  127.047   6.7936  125.404   10.288  128.318   9.0469  660.670   27.304  668.922   23.715 -8.251709 36.16555 
1 1 1    8   16   20 o  666.384   18.096  127.427   6.7886  129.872   10.517  125.680   8.8881  671.397   27.468  661.371   23.565 10.02625 36.19131 
1 1 1    8   16   22 o  309.772   21.838   27.196   3.7974   31.716   6.0592   24.272   4.8732  330.219   32.175  289.324   29.535 40.89514 43.67572 
1 1 1    8   16   24 o  113.983   30.509   0.3624   2.5762   7.3169   5.3379  -1.7495   2.9415  156.441   51.575   71.524   32.609 84.91664 61.01878 
1 1 1    8   16   26 o  105.900   33.462  -0.2974   3.6571  -6.1730   8.2834   1.1251   4.0758  110.501   51.860  101.299   42.301 9.201988 66.92356 
1 1 1    8   16   28 o  127.486   35.838   4.1357   3.7934   3.7321   6.4281   4.3513   4.6987  129.966   53.597  125.007   47.589 4.959076 71.67538 
1 1 1    8   16   30 o  157.287   42.457   8.2113   4.3499   7.1392   4.7822   13.350   10.470  141.585   48.820  172.989   69.477 -31.40404 84.91441 
1 1 1    8   16   32 o   92.414   29.740   0.1578   2.9631   2.0634   5.9930  -0.4588   3.4090  106.670   47.777   78.159   35.428 28.51101 59.47919 
1 1 1    8   16   34 o   74.184   24.687  -1.8338   2.7777  -4.9281   3.9578   1.1696   3.8993   63.668   31.299   84.700   38.187 -21.03238 49.37443 
1 1 1    8   16   36 o   85.563   27.220   3.0599   2.8538   4.0567   3.6261   1.4376   4.6257   90.969   39.019   80.157   37.964 10.81229 54.44050 
1 1 1    8   17    1 o  504.034   15.078   72.704   4.3340   73.404   6.1337   72.006   6.1247  506.463   21.236  501.604   21.411 4.858856 30.15633 
1 1 1    8   17    3 o  440.085   30.993   55.640   7.7785   55.640   7.7785   0.0000   0.0000  440.085   30.993  ?   ?       ?      ? 
1 1 1    8   17    5 o  868.487   15.038  216.493   7.4134  224.118   10.119  207.658   10.892  885.212   20.044  851.761   22.423 33.45074 30.07599 
1 1 1    8   17    7 o  1099.12   15.672  345.669   9.8230  343.855   13.921  347.468   13.863  1096.23   22.268  1102.01   22.058 -5.779541 31.34342 
1 1 1    8   17    9 o  430.660   22.323   53.726   4.9014   52.100   9.2469   54.361   5.7802  425.453   38.111  435.866   23.254 -10.41309 44.64520 
1 1 1    8   17   11 o  186.606   22.981   9.9265   2.3009   11.040   3.8793   9.3222   2.8579  192.836   36.614  180.377   27.782 12.45946 45.96168 
1 1 1    8   17   13 o  695.573   15.066  138.168   5.9765   0.0000   0.0000  138.168   5.9765  ?   ?   695.573   15.066      ?      ? 
1 1 1    8   17   15 o  550.253   30.147   86.952   9.4601   0.0000   0.0000   86.952   9.4601  ?   ?   550.253   30.147      ?      ? 
1 1 1    8   17   17 o  175.638   46.481   7.0023   6.2652   8.9359   9.3925   5.4524   8.4093  187.456   68.051  163.820   63.334 23.63579 92.96299 
1 1 1    8   17   19 o  635.674   14.396  115.787   5.2155  118.122   7.5344  113.639   7.2269  641.782   20.586  629.566   20.129 12.21680 28.79128 
1 1 1    8   17   21 o  123.037   27.846   3.3553   2.9761  -6.9770   5.2983   8.1179   3.5972   82.815   39.616  163.260   39.143 -80.44449 55.69242 
1 1 1    8   17   23 o  290.672   21.365   24.642   3.5410   24.026   4.9625   25.280   5.0544  286.951   30.325  294.393   30.105 -7.442261 42.73088 
1 1 1    8   17   25 o  324.561   18.482   30.920   3.1464   30.728   5.6782   31.004   3.7797  322.089   30.913  327.032   20.266 -4.943420 36.96388 
1 1 1    8   17   27 f  239.343   25.992   17.822   3.4025   22.276   4.9793   13.919   4.6604  270.920   32.228  207.766   40.788 63.15379 51.98386 
1 1 1    8   17   29 o  143.372   44.028   5.4310   6.6893   5.3435   9.3829   5.5214   9.5394  142.834   62.019  143.911   62.510 -1.076187 88.05651 
1 1 1    8   17   31 o  138.279   27.387   6.2532   2.3421   10.506   3.7514   3.5368   2.9982  172.182   39.097  104.377   38.363 67.80556 54.77428 
1 1 1    8   17   33 o   90.430   30.324  -1.2787   3.5672   4.7936   6.8959  -3.4971   4.1682  110.419   50.181   70.442   34.060 39.97613 60.64892 
1 1 1    8   17   35 o   98.263   30.309   5.1533   3.2781   2.8260   7.0452   5.7964   3.7034   90.831   44.006  105.695   41.689 -14.86443 60.61757 
1 1 1    8   18    0 o  329.876   15.761   31.507   4.1493   31.507   4.1493   31.507   4.1493  329.876   22.290  329.876   22.290 -0.000000 0.000000 
1 1 1    8   18    2 o  792.110   18.268  175.952   7.8331  191.793   13.641  168.160   9.5678  817.604   29.256  766.615   21.885 50.98901 36.53550 
1 1 1    8   18    4 o  1071.63   31.823  329.770   19.448  329.770   19.448   0.0000   0.0000  1071.63   31.823  ?   ?       ?      ? 
1 1 1    8   18    6 o  941.024   15.586  253.311   8.3602  264.047   11.892  242.819   11.755  960.785   21.704  921.263   22.375 39.52136 31.17183 
1 1 1    8   18    8 o  382.369   15.469   41.408   3.2706   40.210   4.1186   43.454   5.3812  375.085   19.254  389.653   24.216 -14.56857 30.93799 
1 1 1    8   18   10 o  838.094   19.549  203.206   8.1891  197.186   15.946  205.362   9.5436  828.589   33.747  847.599   19.744 -19.01007 39.09789 
1 1 1    8   18   12 o  422.915   24.938   53.489   5.1748   47.338   10.099   55.679   6.0261  404.805   43.744  441.024   23.960 -36.21912 49.87617 
1 1 1    8   18   14 o  393.773   31.676   44.570   7.1133   0.0000   0.0000   44.570   7.1133  ?   ?   393.773   31.676      ?      ? 
1 1 1    8   18   16 o  407.718   33.102   48.482   7.6911   47.810   11.043   49.114   10.718  404.778   47.840  410.659   45.764 -5.880463 66.20477 
1 1 1    8   18   18 o  622.378   15.456  110.914   4.7792  110.654   5.5342  111.678   9.4782  621.924   15.604  622.832   26.685 -0.9077148 30.91185 
1 1 1    8   18   20 o  128.646   28.097   5.3235   2.4347  -1.1713   5.3076   7.0542   2.7399  104.226   45.915  153.067   32.398 -48.84094 56.19464 
1 1 1    8   18   22 o  289.265   29.557   24.083   4.5474   27.068   8.2293   22.770   5.4561  299.866   48.122  278.664   34.333 21.20169 59.11370 
1 1 1    8   18   24 o  257.490   25.390   16.764   2.9082   25.275   7.2902   15.153   3.1715  287.035   44.536  227.945   24.397 59.08939 50.78060 
1 1 1    8   18   26 o  160.250   31.676   8.4865   3.0587   10.156   4.2392   6.6734   4.4175  176.522   42.598  143.978   46.892 32.54433 63.35189 
1 1 1    8   18   28 o  113.649   37.880  -5.2845   6.4843   0.1466   9.2015 -10.6421   9.1391  126.507   57.676  100.790   49.124 25.71672 75.76026 
1 1 1    8   18   30 o   99.211   31.975  -2.1163   4.3341   3.7463   5.9236  -8.8707   6.3582  117.793   50.180   80.629   39.644 37.16394 63.95058 
1 1 1    8   18   32 f  113.282   30.739   5.1025   2.7570   4.4785   4.8385   5.4026   3.3548  109.499   45.933  117.065   40.861 -7.565605 61.47705 
1 1 1    8   18   34 o   92.839   30.029   3.2502   3.5666   0.7195   6.9829   4.1434   4.1485   89.196   43.352   96.481   41.565 -7.285355 60.05893 
1 1 1    8   19    1 o  368.625   15.953   38.878   3.3534   38.941   4.7151   38.813   4.7702  368.937   22.410  368.312   22.710 0.6246338 31.90582 
1 1 1    8   19    3 o  336.502   20.472   31.901   3.7856   34.533   6.3653   30.460   4.7089  346.841   32.181  326.164   25.316 20.67786 40.94494 
1 1 1    8   19    5 o  582.043   23.492   97.308   7.7943   94.197   11.041  100.397   11.005  572.698   33.806  591.389   32.629 -18.69177 46.98417 
1 1 1    8   19    7 o  1408.74   23.268  569.715   18.693  571.309   26.482  568.133   26.390  1410.70   32.917  1406.78   32.895 3.920654 46.53582 
1 1 1    8   19    9 o  1300.79   19.925  485.826   13.800  482.581   24.304  487.370   16.765  1296.37   32.874  1305.21   22.523 -8.841064 39.84926 
1 1 1    8   19   11 o  459.959   13.185   60.542   3.3543   60.200   5.4462   60.750   4.2576  458.772   20.816  461.146   16.189 -2.373779 26.37075 
1 1 1    8   19   13 o  330.629   32.665   31.449   6.1591   0.0000   0.0000   31.449   6.1591  ?   ?   330.629   32.665      ?      ? 
1 1 1    8   19   15 o  558.205   22.212   90.283   5.6690   88.897   12.559   90.638   6.3530  553.772   39.767  562.639   19.800 -8.867676 44.42316 
1 1 1    8   19   17 o  209.619   43.701   12.100   5.1498   17.417   9.7845   10.063   6.0565  236.606   68.551  182.632   54.219 53.97412 87.40101 
1 1 1    8   19   19 o   98.546   31.278  -2.7501   3.3315   0.7323   6.1600  -4.1898   3.9608  121.535   51.448   75.558   35.586 45.97679 62.55593 
1 1 1    8   19   21 f   80.848   26.098  -2.4403   2.6870  -1.3229   3.8853  -3.4646   3.7201   86.822   38.708   74.874   35.016 11.94831 52.19568 
1 1 1    8   19   23 o  163.594   41.256   8.2329   4.3694   1.8467   11.261   9.3648   4.7408  155.716   67.778  171.471   47.056 -15.75444 82.51163 
1 1 1    8   19   25 o   98.906   27.219   1.1258   2.4878  -2.3681   3.5604   4.4591   3.4776   75.861   35.057  121.951   41.647 -46.09032 54.43784 
1 1 1    8   19   27 o   90.746   30.669  -6.0660   4.4578  -7.3285   6.1285  -4.6475   6.4960   85.639   41.382   95.852   45.274 -10.21278 61.33743 
1 1 1    8   19   29 o  174.732   47.443   14.597   7.0251   20.175   9.7712   8.6284   10.107  201.481   69.767  147.982   64.312 53.49918 94.88660 
1 1 1    8   19   31 o   87.651   29.162  -1.4021   3.3212   1.5662   6.1760  -2.6097   3.9393  102.322   46.877   72.980   34.701 29.34219 58.32351 
1 1 1    8   19   33 o   90.200   30.284   0.6335   3.6414   5.7204   7.0144  -1.2432   4.2605  105.148   48.807   75.252   35.867 29.89664 60.56864 
1 1 1    8   20    0 o  611.395   15.730  107.175   7.7332  107.175   7.7332  107.175   7.7332  611.395   22.246  611.395   22.246 0.000000 0.000000 
1 1 1    8   20    2 o  1331.83   19.557  509.410   14.015  504.586   24.167  511.854   17.204  1326.00   31.959  1337.66   22.552 -11.66382 39.11458 
1 1 1    8   20    4 o  1055.32   22.075  319.404   13.274  337.934   18.966  301.607   18.586  1085.44   30.639  1025.21   31.789 60.22986 44.15060 
1 1 1    8   20    6 o  347.858   28.256   34.854   5.6049   35.455   7.9843   34.269   7.8701  350.821   39.908  344.895   40.013 5.926117 56.51223 
1 1 1    8   20    8 o  368.659   29.871   39.767   6.1566   31.011   8.7448   48.373   8.6693  327.350   46.843  409.968   37.080 -82.61850 59.74260 
1 1 1    8   20   10 o  999.204   19.231  284.007   10.184  292.422   18.252  280.202   12.272  1008.87   31.723  989.538   21.747 19.33063 38.46169 
1 1 1    8   20   12 o  912.504   20.752  238.334   10.799   0.0000   0.0000  238.334   10.799  ?   ?   912.504   20.752      ?      ? 
1 1 1    8   20   14 o  551.692   13.874   87.424   4.3507   91.827   6.0188   82.605   6.2962  566.400   18.634  536.984   20.560 29.41553 27.74754 
1 1 1    8   20   16 o  298.576   32.210   24.551   3.5636   29.406   10.209   23.878   3.8028  308.841   60.125  288.311   23.128 20.52979 64.42019 
1 1 1    8   20   18 o  299.205   40.239   29.163   5.9685   23.606   11.097   31.425   7.0798  270.664   71.007  327.746   37.878 -57.08218 80.47798 
1 1 1    8   20   20 f  121.283   34.439   2.4807   3.6201  -1.3876   6.6580   4.1044   4.3135  115.681   51.169  126.884   46.108 -11.20364 68.87847 
1 1 1    8   20   22 o  139.024   33.727   5.1914   3.2860   8.0930   5.0437   3.0514   4.3314  160.608   49.852  117.440   45.440 43.16843 67.45367 
1 1 1    8   20   24 o   75.957   26.586  -5.6985   2.8670  -9.5872   7.1647  -4.9571   3.1284   91.838   44.466   60.076   29.157 31.76128 53.17284 
1 1 1    8   20   26 o  140.628   35.887   6.3618   3.6534   7.4288   5.6247   5.5831   4.8049  148.149   52.800  133.106   48.619 15.04276 71.77466 
1 1 1    8   20   28 o  140.033   41.775   3.5869   5.7362  -2.4438   7.1011   14.912   9.7310  102.983   48.231  177.082   68.223 -74.09891 83.54935 
1 1 1    8   20   30 o  155.255   35.734   7.0282   3.6346   20.868   7.1872   2.2730   4.2130  212.478   57.786   98.031   42.053 114.4475 71.46826 
1 1 1    8   20   32 o   92.570   29.156   2.5703   3.0501   0.3821   6.0251   3.3243   3.5368   90.171   42.887   94.970   39.509 -4.798477 58.31183 
1 1 1    8   21    1 o  366.688   17.173   38.454   3.5844   41.841   5.1510   35.274   4.9910  382.369   23.622  351.008   24.933 31.36090 34.34633 
1 1 1    8   21    3 o  499.218   16.615   71.354   4.7275   70.227   6.7711   72.426   6.6033  495.332   23.970  503.104   23.015 -7.771484 33.23048 
1 1 1    8   21    5 o  728.900   22.060  152.254   9.1586  163.223   13.226  142.146   12.695  754.154   30.751  703.647   31.636 50.50659 44.11910 
1 1 1    8   21    7 o  482.370   16.802   66.600   4.6214   67.922   6.6068   65.333   6.4667  487.054   23.786  477.686   23.738 9.368500 33.60465 
1 1 1    8   21    9 o  714.630   24.272  147.206   9.8764  138.373   14.014  155.922   13.921  693.076   35.455  736.183   33.159 -43.10620 48.54466 
1 1 1    8   21   11 o  621.141   35.586  111.341   12.606   0.0000   0.0000  111.341   12.606  ?   ?   621.141   35.586      ?      ? 
1 1 1    8   21   13 o  456.854   13.592   62.389   3.2898   52.161   5.5635   67.888   4.0794  426.388   22.879  487.321   14.679 -60.93262 27.18346 
1 1 1    8   21   15 o  253.487   35.732   18.012   3.7967   21.453   9.6708   17.385   4.1282  261.573   65.091  245.401   29.498 16.17114 71.46320 
1 1 1    8   21   17 o  785.106   23.395  183.397   9.6201  168.728   17.060  190.236   11.649  758.229   39.453  811.983   25.156 -53.75403 46.79095 
1 1 1    8   21   19 o  322.350   27.522   30.988   4.9997   33.575   6.7782   27.901   7.4045  338.279   35.135  306.422   42.372 31.85709 55.04468 
1 1 1    8   21   21 o  116.614   28.820   2.9041   2.8662   6.7236   3.6383  -3.3442   4.6535  146.959   41.557   86.269   39.941 60.68922 57.63953 
1 1 1    8   21   23 o  120.459   31.900   3.4353   2.7134   2.6807   3.1956   5.3854   5.1371  104.283   39.355  136.635   50.216 -32.35192 63.79975 
1 1 1    8   21   25 o  176.858   32.896   10.875   3.2397   9.8383   5.8326   11.338   3.8959  166.490   53.857  187.226   37.791 -20.73616 65.79259 
1 1 1    8   21   27 o  158.520   42.434   9.2039   5.6231   3.4360   7.6804   15.868   8.2553  126.709   55.541  190.331   64.171 -63.62167 84.86890 
1 1 1    8   21   29 o  183.622   26.895   10.903   2.6236   16.747   4.6094   8.1017   3.1909  216.910   38.681  150.335   37.378 66.57564 53.78991 
1 1 1    8   21   31 o   68.419   23.608  -3.2422   2.6890  -4.2339   5.1325  -2.8671   3.1569   74.792   36.532   62.046   29.912 12.74672 47.21521 
1 1 1    8   21   33 o  102.271   34.332   8.0165   5.0996   6.1822   6.0214   12.670   9.5903   98.325   45.491  106.217   51.432 -7.892685 68.66404 
1 1 1    8   22    0 o  1531.70   16.403  670.733   20.253  670.733   20.253  670.733   20.253  1531.70   23.197  1531.70   23.197 0.000000 0.000000 
1 1 1    8   22    2 o  1064.88   15.820  324.485   9.6054  333.362   13.658  315.797   13.512  1079.32   22.189  1050.44   22.556 28.88318 31.63993 
1 1 1    8   22    4 o  576.637   16.675   95.208   5.4833   95.621   7.7964   94.803   7.7133  577.866   23.658  575.408   23.506 2.458496 33.34962 
1 1 1    8   22    6 o  1013.46   22.072  295.172   12.755  302.177   18.107  288.273   17.969  1025.46   30.963  1001.46   31.463 23.99512 44.14305 
1 1 1    8   22    8 o  844.108   20.091  205.240   8.9385  203.099   16.020  206.208   10.771  839.720   33.453  848.496   22.259 -8.775696 40.18183 
1 1 1    8   22   10 o  191.598   40.903   11.043   4.3333   0.0000   0.0000   11.043   4.3333  ?   ?   191.598   40.903      ?      ? 
1 1 1    8   22   12 o  604.620   17.279  103.588   5.9115   93.618   7.7905  117.121   9.0764  570.892   23.929  638.347   24.932 -67.45502 34.55716 
1 1 1    8   22   14 o  333.891   34.811   34.518   5.8564   30.329   10.348   36.492   7.1035  313.281   60.106  354.500   35.137 -41.21875 69.62278 
1 1 1    8   22   16 o  755.038   18.736  165.128   8.0493  155.058   11.502  174.793   11.268  732.014   27.553  778.061   25.395 -46.04645 37.47111 
1 1 1    8   22   18 o  488.337   27.532   67.476   7.1762   79.278   13.020   62.326   8.6005  515.111   44.322  461.564   32.674 53.54648 55.06371 
1 1 1    8   22   20 o  522.104   22.300   80.955   6.5903   70.920   9.4118   90.608   9.2311  488.863   33.759  555.343   29.147 -66.48001 44.60095 
1 1 1    8   22   22 o  237.595   23.734   17.023   3.1954   17.098   4.7938   16.962   4.2866  237.331   35.419  237.859   31.601 -0.5277557 47.46707 
1 1 1    8   22   24 o  136.663   39.262   5.0916   4.4989   6.3027   5.0425   0.3652   9.9613  139.680   49.970  133.646   60.572 6.033066 78.52363 
1 1 1    8   22   26 o  134.837   34.690   6.5847   3.7107   8.5314   4.1462  -1.2498   8.3178  155.018   44.541  114.656   53.195 40.36237 69.37977 
1 1 1    8   22   28 o   93.025   30.127  -2.1200   3.5390   4.1762   5.8440  -5.7661   4.4472  116.201   49.680   69.850   34.093 46.35031 60.25308 
1 1 1    8   22   30 o   87.336   27.975   0.6064   3.1340  -2.4271   4.6888   3.0560   4.2134   77.330   37.065   97.342   41.913 -20.01203 55.95077 
1 1 1    8   22   32 o   99.000   33.198   4.5078   4.2282   12.898   8.8352   2.0153   4.8155  112.585   53.062   85.416   39.911 27.16902 66.39659 
1 1 1    8   23    1 o  646.750   16.037  119.762   5.9090  127.173   8.4369  112.626   8.2786  666.443   22.199  627.056   23.150 39.38739 32.07367 
1 1 1    8   23    3 o  1648.11   16.679  778.289   15.676  777.375   22.181  779.200   22.158  1647.14   23.613  1649.09   23.561 -1.949707 33.35709 
1 1 1    8   23    5 o  488.905   17.411   68.550   4.8455   74.154   6.9158   63.147   6.7910  508.619   23.843  469.192   25.380 39.42749 34.82263 
1 1 1    8   23    7 o  652.941   31.709  122.817   11.807   0.0000   0.0000  122.817   11.807  ?   ?   652.941   31.709      ?      ? 
1 1 1    8   23    9 o  1111.48   31.616  356.442   20.040   0.0000   0.0000  356.442   20.040  ?   ?   1111.48   31.616      ?      ? 
1 1 1    8   23   11 o  1166.04   19.325  392.528   10.941  389.970   22.356  393.334   12.546  1160.42   33.782  1171.66   18.777 -11.24463 38.65000 
1 1 1    8   23   13 o  462.240   20.692   50.105   3.5854   78.863   11.267   46.865   3.7820  519.941   37.998  404.540   16.393 115.4012 41.38345 
1 1 1    8   23   15 o  201.730   44.630   11.636   5.4025   16.179   9.6538   9.5646   6.5188  225.499   68.797  177.962   56.871 47.53741 89.26004 
1 1 1    8   23   17 o  351.642   41.210   49.268   6.6611   18.541   11.809   63.607   8.0670  236.471   76.647  466.813   30.302 -230.3417 82.41971 
1 1 1    8   23   19 o  304.888   21.426   27.943   3.5704   25.298   5.7842   29.571   4.5381  291.399   34.807  318.378   24.994 -26.97876 42.85112 
1 1 1    8   23   21 o  291.271   20.450   25.885   3.2910   19.534   4.7826   31.596   4.5355  254.645   32.933  327.896   24.255 -73.25142 40.90091 
1 1 1    8   23   23 o  107.995   30.875   2.3141   3.0037   3.6922   4.1256   0.7595   4.3818  116.624   44.546   99.366   42.763 17.25803 61.74955 
1 1 1    8   23   25 o  155.146   72.927   5.8191   16.491   5.8191   16.491   0.0000   0.0000  155.146   72.927  ?   ?       ?      ? 
1 1 1    8   23   27 o  144.419   32.759   7.9828   3.0696   10.030   4.6345   6.3829   4.0972  159.199   47.467  129.639   45.161 29.55951 65.51821 
1 1 1    8   23   29 o  123.552   29.526   2.9913   3.4324  -6.2955   4.6142   14.497   5.1359   67.287   33.215  179.817   48.825 -112.5298 59.05180 
1 1 1    8   23   31 o   93.015   30.608   3.3354   3.6857   4.2321   7.1820   3.0148   4.2943   96.281   46.076   89.749   40.303 6.532013 61.21532 
1 1 1    8   24    0 o  323.918   20.201   30.730   5.1830   30.730   5.1830   30.730   5.1830  323.918   28.569  323.918   28.569 0.000000 0.000000 
1 1 1    8   24    2 o  808.551   15.894  187.365   7.3283  189.271   10.444  185.516   10.285  812.591   22.538  804.511   22.417 8.079346 31.78815 
1 1 1    8   24    4 o  227.320   24.488   14.918   3.1724   15.702   4.5473   14.174   4.4281  233.173   34.196  221.468   35.060 11.70462 48.97538 
1 1 1    8   24    6 o  553.630   15.559   87.979   4.6894   87.662   7.9024   88.150   5.8262  552.381   25.086  554.879   18.412 -2.497803 31.11711 
1 1 1    8   24    8 o  400.484   33.424   46.416   7.6337   0.0000   0.0000   46.416   7.6337  ?   ?   400.484   33.424      ?      ? 
1 1 1    8   24   10 o  446.477   25.440   60.971   5.1323   52.847   11.135   63.162   5.7832  423.920   46.058  469.033   21.621 -45.11334 50.88047 
1 1 1    8   24   12 f  223.775   24.365   14.551   3.1009   14.992   4.5829   14.179   4.2114  226.758   35.439  220.792   33.446 5.965744 48.73006 
1 1 1    8   24   14 o  201.895   36.695   14.567   3.7730   5.7679   9.5644   16.189   4.1060  167.859   66.745  235.931   30.517 -68.07121 73.39082 
1 1 1    8   24   16 f  129.887   32.847   3.4435   3.0488   7.6929   5.2888   1.3284   3.7312  159.186   51.263  100.589   41.082 58.59780 65.69299 
1 1 1    8   24   18 o  485.652   28.781   72.705   7.3302   68.301   12.958   74.778   8.8890  468.498   48.501  502.807   31.000 -34.30917 57.56160 
1 1 1    8   24   20 o  503.080   28.417   77.451   7.5696   80.972   13.517   75.843   9.1365  503.909   47.038  502.251   31.898 1.658783 56.83326 
1 1 1    8   24   22 o  172.193   29.291   11.603   3.7167  -2.6816   6.8764   17.498   4.4176  105.623   48.779  238.764   32.444 -133.1407 58.58267 
1 1 1    8   24   24 o  141.220   40.250   3.1569   5.7166  -6.1482   7.6914   14.641   8.5446   98.612   47.320  183.828   65.124 -85.21532 80.50088 
1 1 1    8   24   26 o  148.219   40.504   10.002   4.9575   7.7504   8.7206   11.078   6.0259  137.046   59.649  159.392   54.811 -22.34567 81.00740 
1 1 1    8   24   28 o   95.252   30.789   0.1634   4.2717 -13.5833   8.5713   4.7059   4.9272   80.902   40.730  109.601   46.183 -28.69897 61.57774 
1 1 1    8   24   30 o   76.653   26.600  -2.4303   3.6963  -3.2196   6.8675  -2.1084   4.3858   81.231   40.177   72.074   34.871 9.157242 53.19914 
1 1 1    8   25    1 o  862.674   16.164  213.606   7.9519  215.805   11.328  211.470   11.165  867.038   22.911  858.311   22.809 8.727051 32.32897 
1 1 1    8   25    3 o  824.353   16.122  194.919   7.5755  203.135   10.891  187.219   10.544  841.189   22.704  807.517   22.896 33.67261 32.24409 
1 1 1    8   25    5 o  301.930   24.754   25.935   4.1069   28.277   6.9114   24.656   5.1062  311.685   38.883  292.175   30.645 19.50943 49.50756 
1 1 1    8   25    7 o  139.417   47.398   5.3557   4.5041   0.0000   0.0000   5.3557   4.5041  ?   ?   139.417   47.398      ?      ? 
1 1 1    8   25    9 o  613.725   21.746  105.777   7.0839  118.238   12.883  100.377   8.4811  637.267   35.449  590.183   25.198 47.08405 43.49255 
1 1 1    8   25   11 o  702.226   20.877  141.591   7.0747  145.839   14.697  140.309   8.0714  705.834   36.511  698.618   20.259 7.216248 41.75461 
1 1 1    8   25   13 o  376.349   28.576   41.925   4.9025   41.800   10.869   41.957   5.4931  371.880   51.249  380.818   25.293 -8.938293 57.15112 
1 1 1    8   25   15 f  211.794   37.487   16.389   3.9041   7.9806   9.9414   17.923   4.2451  176.293   68.665  247.296   30.101 -71.00249 74.97337 
1 1 1    8   25   17 o  188.151   39.956   11.767   4.0280   9.5022   9.9036   12.216   4.4091  179.003   68.863  197.299   40.542 -18.29599 79.91127 
1 1 1    8   25   19 o  294.089   39.928   27.690   6.1421   36.221   10.890   23.710   7.4381  321.206   61.691  266.972   50.709 54.23404 79.85678 
1 1 1    8   25   21 o  234.908   38.769   19.854   5.1117   17.893   7.3581   21.684   7.1064  220.457   57.813  249.360   51.671 -28.90359 77.53855 
1 1 1    8   25   23 o  116.346   32.412   3.7500   3.1806   2.5799   4.3572   5.0847   4.6535  107.164   44.152  125.527   47.462 -18.36291 64.82333 
1 1 1    8   25   25 o  104.995   29.118   3.0395   2.8515   5.5179   3.5396  -1.5431   4.8131  123.238   42.017   86.752   40.322 36.48602 58.23499 
1 1 1    8   25   27 o  115.569   36.225   5.3866   4.4380   6.7667   8.5051   4.8702   5.2024  119.972   54.981  111.166   47.182 8.805557 72.45027 
1 1 1    8   25   29 o   95.472   30.168   3.6256   3.5324   0.3679   5.8682   5.4767   4.4235   86.234   41.368  104.709   43.921 -18.47450 60.33566 
1 1 1    8   26    0 o  184.026   35.215   11.677   4.5175   11.677   4.5175   11.677   4.5175  184.026   49.802  184.026   49.802 0.000000 0.000000 
1 1 1    8   26    2 f  630.299   16.901  114.384   6.0654  107.190   8.5915  121.532   8.5639  610.340   24.683  650.258   23.094 -39.91766 33.80227 
1 1 1    8   26    4 o  411.956   25.637   49.335   6.0099   53.962   8.6453   45.008   8.3605  430.870   35.183  393.041   37.299 37.82916 51.27494 
1 1 1    8   26    6 o  719.021   31.980  150.033   13.113   0.0000   0.0000  150.033   13.113  ?   ?   719.021   31.980      ?      ? 
1 1 1    8   26    8 o  360.680   28.090   37.670   5.7779   0.0000   0.0000   37.670   5.7779  ?   ?   360.680   28.090      ?      ? 
1 1 1    8   26   10 o  136.395   37.362   3.7290   3.1743   4.7539   8.3489   3.5558   3.4321  156.280   62.291  116.511   41.274 39.76962 74.72416 
1 1 1    8   26   12 o  216.234   35.526   16.619   2.7630   10.331   9.3492   17.221   2.8922  188.094   67.953  244.374   20.753 -56.28006 71.05107 
1 1 1    8   26   14 o  207.543   40.183   11.868   4.0112   18.439   9.5447   10.458   4.4205  232.664   67.791  182.422   43.165 50.24255 80.36693 
1 1 1    8   26   16 o  199.317   40.350   10.475   3.7193   19.021   9.7481   9.0192   4.0237  230.453   68.871  168.181   42.061 62.27190 80.69912 
1 1 1    8   26   18 o  214.079   35.448   20.102   4.2356   3.0532   10.369   23.517   4.6405  147.857   64.679  280.302   29.030 -132.4450 70.89511 
1 1 1    8   26   20 o  253.317   21.052   17.989   2.9166   26.912   4.9858   13.347   3.5962  297.479   29.389  209.154   30.150 88.32503 42.10355 
1 1 1    8   26   22 o  112.282   37.241  -2.5542   6.0470  -4.2753   8.6944  -0.9416   8.4160  108.692   51.644  115.872   53.670 -7.180374 74.48190 
1 1 1    8   26   24 o  138.773   43.625   8.1724   6.9269   8.2518   9.9958   8.0990   9.6079  139.089   62.042  138.456   61.345 0.6333008 87.24925 
1 1 1    8   26   26 f  131.949   35.805   8.1813   3.6991   7.3906   4.6791   9.4991   6.0403  127.954   47.755  135.945   53.361 -7.991425 71.60980 
1 1 1    8   26   28 o  109.380   31.340   5.7215   2.9535   8.0788   4.8586   4.3399   3.7197  119.574   47.563   99.186   40.822 20.38843 62.67923 
1 1 1    8   27    1 o  893.543   16.378  230.018   8.3447  234.141   11.809  225.904   11.794  901.620   22.966  885.466   23.356 16.15393 32.75529 
1 1 1    8   27    3 o  394.517   27.576   46.181   6.0575   58.203   8.6550   34.639   8.4807  446.771   33.969  342.263   43.449 104.5078 55.15198 
1 1 1    8   27    5 o  146.038   35.508   4.8977   3.7960   9.8040   5.8134   1.2510   5.0120  178.597   53.143  113.479   47.106 65.11862 71.01507 
1 1 1    8   27    7 o  199.531   35.582   10.992   3.1606   13.806   8.2993   10.515   3.4181  209.095   63.787  189.967   31.551 19.12787 71.16396 
1 1 1    8   27    9 f  111.047   43.014   2.5229   3.8845   0.0000   0.0000   2.5229   3.8845  ?   ?   111.047   43.014      ?      ? 
1 1 1    8   27   11 o  481.895   23.860   68.679   4.6076   68.277   11.986   68.748   4.9911  475.185   44.231  488.605   17.912 -13.41980 47.72012 
1 1 1    8   27   13 o  421.741   26.265   51.219   5.2346   57.561   11.360   49.509   5.8980  431.808   46.133  411.674   25.122 20.13354 52.52989 
1 1 1    8   27   15 o  138.389   33.520   6.3447   3.2819  -6.2578   9.2394   8.1643   3.5108  116.383   54.668  160.395   38.803 -44.01127 67.03970 
1 1 1    8   27   17 o  106.340   33.676   0.8279   3.0891  -4.5398   9.2476   1.5021   3.2774  118.124   55.232   94.557   38.547 23.56728 67.35275 
1 1 1    8   27   19 o  107.581   35.483  -2.6142   5.0508  -5.1927   9.1619  -1.4884   6.0539  112.780   53.419  102.382   46.718 10.39785 70.96600 
1 1 1    8   27   21 f  117.008   54.066  -0.3815   8.4650   0.0000   0.0000  -0.3815   8.4650  ?   ?   117.008   54.066      ?      ? 
1 1 1    8   27   23 o  152.911   45.294   11.787   6.9267   6.1569   9.8239   17.354   9.7681  131.620   59.847  174.203   68.005 -42.58325 90.58897 
1 1 1    8   27   25 o  115.704   32.123   5.6834   3.0937   3.4696   6.5421   6.3211   3.5111  107.074   48.744  124.335   41.850 -17.26194 64.24521 
1 1 1    8   27   27 o   72.410   25.105  -4.9345   3.6945 -11.8617   5.7449  -0.0493   4.8244   63.308   32.047   81.512   38.654 -18.20429 50.21098 
1 1 1    8   28    0 o  325.345   22.537   31.370   5.7832   31.370   5.7832   31.370   5.7832  325.345   31.872  325.345   31.872 0.000000 0.000000 
1 1 1    8   28    2 o  106.331   32.472  -1.8867   3.9087  -7.0398   5.6304   2.9070   5.4304   86.031   41.067  126.632   50.312 -40.60130 64.94436 
1 1 1    8   28    4 o  332.810   25.758   33.108   4.7635   35.444   6.2280   29.815   7.3945  348.511   31.336  317.108   40.889 31.40308 51.51574 
1 1 1    8   28    6 o  298.058   30.667   26.877   4.3578   26.949   8.6767   26.853   5.0395  292.634   53.981  303.483   29.118 -10.84891 61.33312 
1 1 1    8   28    8 o  156.828   35.216   7.7783   3.5971   4.5673   6.3057   9.3274   4.3797  141.126   54.765  172.529   44.288 -31.40291 70.43136 
1 1 1    8   28   10 f  333.877   32.184   32.990   6.1281   0.0000   0.0000   32.990   6.1281  ?   ?   333.877   32.184      ?      ? 
1 1 1    8   28   12 o  176.948   40.928   9.0754   4.0238   12.885   9.1151   8.1533   4.4844  194.512   67.382  159.384   46.475 35.12712 81.85509 
1 1 1    8   28   14 o  145.986   38.147   4.2217   2.6916   11.537   8.9611   3.4963   2.8219  182.462   66.434  109.509   37.516 72.95224 76.29449 
1 1 1    8   28   16 o  137.721   38.043   5.1305   3.4737   5.2539   9.0902   5.1094   3.7590  147.990   62.564  127.451   43.300 20.53976 76.08694 
1 1 1    8   28   18 o  121.360   35.456   0.2538   5.1143 -18.1266   9.2078   8.4539   6.1502   89.334   44.570  153.386   55.153 -64.05216 70.91125 
1 1 1    8   28   22 o  127.667   41.162   5.4648   6.6298   5.6388   9.4528   5.2964   9.3010  128.279   58.474  127.054   57.949 1.224808 82.32413 
1 1 1    8   28   24 o  101.663   33.004   1.6525   4.4794   5.7755   6.3936  -2.3222   6.2775  115.178   50.576   88.148   42.415 27.03039 66.00789 
1 1 1    8   28   26 o   89.605   28.313   2.4430   3.1052  -0.5222   5.0329   4.2654   3.9457   80.825   38.650   98.385   41.386 -17.56066 56.62679 
1 1 1    8   29    1 o  914.155   23.523  246.190   12.258  255.059   17.388  237.427   17.284  930.975   32.751  897.335   33.774 33.64020 47.04632 
1 1 1    8   29    3 o  467.952   18.963   63.836   5.0598   63.950   7.2233   63.726   7.0899  468.275   27.048  467.630   26.585 0.6453247 37.92628 
1 1 1    8   29    5 o   95.071   30.384  -1.4444   3.2872  -7.2728   6.8306   0.3123   3.7500   96.476   45.821   93.666   39.914 2.810486 60.76750 
1 1 1    8   29    7 o  352.233   26.724   34.298   4.9286   45.200   9.4458   30.219   5.7775  384.924   43.030  319.541   31.704 65.38269 53.44827 
1 1 1    8   29    9 o  285.211   33.618   24.189   4.5002   28.938   9.5291   22.825   5.1053  293.708   58.940  276.714   32.352 16.99405 67.23506 
1 1 1    8   29   11 o  278.241   38.020   23.710   6.0329   0.0000   0.0000   23.710   6.0329  ?   ?   278.241   38.020      ?      ? 
1 1 1    8   29   13 o  217.797   37.775   17.997   4.1760   12.066   9.5938   19.383   4.6385  182.843   68.353  252.750   32.180 -69.90668 75.54919 
1 1 1    8   29   15 o  128.895   38.199   2.9860   3.7568   6.8746   8.9226   2.1481   4.1418  152.319   63.009  105.471   43.203 46.84866 76.39828 
1 1 1    8   29   17 o  107.308   34.590  -0.9830   3.0327   6.0546   8.6050  -1.9811   3.2406  142.835   60.655   71.782   33.268 71.05271 69.17932 
1 1 1    8   29   21 o  115.018   35.686   3.1424   3.1371   8.4247   9.1843   2.4447   3.3379  134.930   59.870   95.107   38.851 39.82301 71.37132 
1 1 1    8   29   23 o  110.765   29.925   4.8330   2.8612   7.3299   3.8661   1.8095   4.2543  130.036   43.914   91.494   40.665 38.54199 59.85086 
1 1 1    8   29   25 o   83.094   27.981   0.1701   3.6643   1.4956   4.5196  -2.3726   6.2598   85.166   39.406   81.022   39.735 4.144424 55.96190 
1 1 1    8   30    2 o  153.524   39.064   5.2928   4.9830   12.287   7.0104  -1.8486   7.0841  192.219   58.622  114.829   51.648 77.39034 78.12892 
1 1 1    8   30    4 o  232.335   26.102   15.980   3.4129   18.165   5.3818   14.511   4.4139  244.794   38.551  219.877   35.201 24.91721 52.20399 
1 1 1    8   30    6 o  255.618   35.415   22.179   4.4219   18.652   8.5305   23.475   5.1709  231.011   63.008  280.225   32.357 -49.21432 70.83082 
1 1 1    8   30    8 o  147.389   38.082   5.8196   3.3372   7.7672   8.4200   5.4567   3.6349  162.425   63.213  132.352   42.485 30.07306 76.16327 
1 1 1    8   30   10 f  116.183   29.298   3.5424   3.0822 -17.4335   8.4772   6.7378   3.3087   87.706   43.596  144.660   39.151 -56.95446 58.59560 
1 1 1    8   30   12 o   77.905   36.586  -3.3918   4.1346   0.0000   0.0000  -3.3918   4.1346  ?   ?    77.905   36.586      ?      ? 
1 1 1    8   30   14 o  169.003   42.250   9.3529   4.5586   15.267   9.0830   7.3615   5.2705  191.992   67.221  146.014   51.201 45.97784 84.49922 
1 1 1    8   30   16 o  171.761   40.764   10.288   3.9920   15.379   9.1632   9.0951   4.4350  184.623   67.185  158.900   46.185 25.72350 81.52848 
1 1 1    8   30   18 o  103.641   45.341   1.7300   5.0961   0.0000   0.0000   1.7300   5.0961  ?   ?   103.641   45.341      ?      ? 
1 1 1    8   30   20 o  159.740   41.458   9.3990   5.3018   26.070   9.3000   1.3723   6.4532  215.625   67.819  103.855   47.704 111.7705 82.91630 
1 1 1    8   30   22 o   98.170   31.942   2.4530   3.8010  -1.1131   9.0128   3.2245   4.1921   98.483   48.168   97.858   41.963 0.6247864 63.88306 
1 1 1    8   30   24 o   83.819   28.767  -0.8957   4.3254   2.4480   6.1684  -4.1303   6.0670   91.519   43.489   76.120   37.669 15.39857 57.53447 
1 1 1    8   31    1 o  367.938   31.933   43.124   6.5306   53.194   9.2335   33.045   9.2379  415.961   38.924  319.915   50.634 96.04587 63.86657 
1 1 1    8   31    3 o  345.552   32.890   37.992   6.4683   40.725   9.1843   35.303   9.1112  359.149   44.841  331.954   48.129 27.19498 65.78072 
1 1 1    8   31    5 o   93.400   30.690  -2.7860   3.3907  -1.7117   6.6906  -3.1573   3.9332  109.676   49.681   77.123   36.048 32.55215 61.38073 
1 1 1    8   31    7 o  182.821   38.721   10.918   3.9348   13.380   7.9400   10.116   4.5301  191.251   62.895  174.390   45.184 16.86073 77.44257 
1 1 1    8   31    9 o   83.259   26.016  -0.7744   2.5337  -4.2654   4.2361   1.1701   3.1616   75.984   36.087   90.535   37.484 -14.55133 52.03154 
1 1 1    8   31   11 o  364.971   34.304   47.546   5.7888   38.715   10.945   50.976   6.8209  320.814   62.067  409.128   29.234 -88.31454 68.60699 
1 1 1    8   31   13 o  385.063   39.275   48.394   8.6246   0.0000   0.0000   48.394   8.6246  ?   ?   385.063   39.275      ?      ? 
1 1 1    8   31   15 o  140.248   39.499   5.7459   3.9044   12.058   8.9114   4.2462   4.3435  163.713   64.638  116.784   45.415 46.92924 78.99715 
1 1 1    8   31   17 o   72.676   33.129  -0.8520   3.0345   0.0000   0.0000  -0.8520   3.0345  ?   ?    72.676   33.129      ?      ? 
1 1 1    8   31   19 o  114.692   36.962   2.6791   5.0063   10.644   8.6985  -1.2659   6.1219  136.979   59.596   92.405   43.739 44.57421 73.92420 
1 1 1    8   31   21 f   88.939   30.440  -0.5374   3.6996   1.7708   8.6820  -1.0495   4.0895  101.312   49.028   76.566   36.091 24.74636 60.87911 
1 1 1    8   31   23 o   90.792   30.387   2.7509   3.6986   3.0331   8.8687   2.6915   4.0693   94.181   46.406   87.403   39.243 6.777496 60.77412 
1 1 1    8   32    0 o  220.486   33.902   16.477   5.2833   16.477   5.2833   16.477   5.2833  220.486   47.945  220.486   47.945 0.000000 0.000000 
1 1 1    8   32    2 o  208.294   31.957   14.431   3.6859   14.754   5.2939   14.128   5.1350  210.457   45.439  206.132   44.949 4.324997 63.91464 
1 1 1    8   32    4 o  383.490   31.742   47.915   6.8961   42.491   9.7778   53.283   9.7274  358.680   47.801  408.300   41.776 -49.61954 63.48397 
1 1 1    8   32    6 o  356.049   33.682   42.222   6.8203   45.864   9.7336   38.709   9.5594  373.128   45.743  338.970   49.451 34.15744 67.36327 
1 1 1    8   32    8 o  473.416   28.502   72.042   7.6748   76.990   11.370   67.900   10.402  487.460   40.902  459.373   39.706 28.08649 57.00444 
1 1 1    8   32   10 o  456.551   26.482   64.378   6.3380   74.490   11.756   60.235   7.5254  471.278   43.741  441.824   29.867 29.45383 52.96495 
1 1 1    8   32   12 o  232.169   32.182   18.680   3.4517   19.379   7.3669   18.484   3.9071  219.824   57.944  244.513   28.020 -24.68936 64.36326 
1 1 1    8   32   14 o  103.716   43.743   2.4362   4.4266   0.0000   0.0000   2.4362   4.4266  ?   ?   103.716   43.743      ?      ? 
1 1 1    8   32   16 o   99.708   38.950   3.1149   3.2060   0.0000   0.0000   3.1149   3.2060  ?   ?    99.708   38.950      ?      ? 
1 1 1    8   32   18 o  107.136   31.835   4.1406   3.6521  -6.1499   8.7481   6.3127   4.0191   92.194   45.552  122.078   44.485 -29.88441 63.66978 
1 1 1    8   32   20 o  119.142   38.093   8.7616   5.2073   14.399   9.1415   6.0539   6.3357  129.649   58.459  108.635   48.855 21.01357 76.18558 
1 1 1    8   32   22 o   89.749   31.157   1.8064   5.1081   6.2500   8.8329  -0.4264   6.2612   97.485   47.681   82.014   40.120 15.47117 62.31427 
1 1 1    8   33    1 o  227.175   30.443   17.298   3.7985   16.555   5.3858   18.034   5.3579  221.290   44.224  233.059   41.850 -11.76822 60.88687 
1 1 1    8   33    3 o  325.589   21.968   32.801   4.0614   34.627   5.6146   30.797   5.8822  336.515   29.256  314.664   32.779 21.85181 43.93628 
1 1 1    8   33    5 o  324.284   35.215   36.620   6.5124   36.342   9.2033   36.898   9.2166  322.833   49.989  325.735   49.615 -2.901245 70.43077 
1 1 1    8   33    7 o  200.496   44.769   16.863   5.7843   19.112   8.1686   14.601   8.1919  215.229   62.715  185.763   63.906 29.46637 89.53848 
1 1 1    8   33    9 o   92.090   30.355  -1.5147   3.4988  -4.5223   7.1964  -0.5837   4.0039   98.146   46.733   86.035   38.751 12.11110 60.70926 
1 1 1    8   33   11 o  153.732   33.918   9.8024   3.2622   4.8945   8.3116   10.696   3.5468  129.919   57.334  177.544   36.256 -47.62474 67.83607 
1 1 1    8   33   13 o  161.183   30.421   11.940   4.1416  -5.6591   8.7101   17.082   4.7079   99.288   48.294  223.078   37.006 -123.7904 60.84249 
1 1 1    8   33   15 o  101.213   43.423   2.8601   4.4925   0.0000   0.0000   2.8601   4.4925  ?   ?   101.213   43.423      ?      ? 
1 1 1    8   33   17 o  155.433   36.080   13.534   4.0755   10.408   9.1385   14.310   4.5534  125.624   57.352  185.241   43.793 -59.61636 72.16065 
1 1 1    8   33   19 o  114.548   35.414   7.1359   3.8233   12.585   8.8329   5.8797   4.2411  120.376   55.484  108.720   44.024 11.65657 70.82760 
1 1 1    8   33   21 o   85.829   27.656   2.9113   3.0195   1.8377   4.6695   3.6829   3.9586   82.326   38.732   89.332   39.488 -7.005623 55.31276 
1 1 1    8   34    0 o  451.560   11.675   59.191   4.2391   59.191   4.2391   59.191   4.2391  451.560   16.511  451.560   16.511 0.000000 0.000000 
1 1 1    8   34    2 o  192.148   30.639   12.811   3.3156   9.3907   4.4967   16.886   4.9081  160.861   46.433  223.434   39.987 -62.57291 61.27796 
1 1 1    8   34    4 o  106.630   29.447   3.1578   2.3487   2.8601   4.8742   3.2478   2.6804  110.750   46.254  102.511   36.458 8.238525 58.89481 
1 1 1    8   34    6 o  210.416   38.042   16.809   4.2791   19.323   8.0254   15.810   5.0580  209.765   62.445  211.066   43.469 -1.301163 76.08482 
1 1 1    8   34    8 o  188.858   41.550   15.294   4.8257   17.532   8.0063   14.018   6.0477  193.355   63.136  184.361   54.032 8.994217 83.09991 
1 1 1    8   34   10 o  146.333   37.045   7.3694   5.1465  -4.9534   7.6493   17.561   6.9564   95.368   46.119  197.298   57.986 -101.9304 74.08991 
1 1 1    8   34   12 f  192.266   37.451   12.896   3.1898   23.494   8.8723   11.323   3.4184  204.616   66.446  179.916   34.572 24.70030 74.90164 
1 1 1    8   34   14 o  155.555   53.222   12.177   5.6793   0.0000   0.0000   12.177   5.6793  ?   ?   155.555   53.222      ?      ? 
1 1 1    8   34   16 o   80.837   26.524   0.0430   2.6965   1.9144   4.8053  -0.8171   3.2577   91.203   41.619   70.470   32.894 20.73219 53.04823 
1 1 1    8   34   18 f   79.074   27.382  -1.0431   3.5271  -2.6698   8.1881  -0.6725   3.9082   85.035   42.362   73.112   34.705 11.92366 54.76320 
1 1 1    8   35    1 f  277.688   27.204   26.638   4.0786   20.860   5.8135   32.237   5.7236  239.734   44.149  315.641   31.797 -75.90680 54.40742 
1 1 1    8   35    3 o  163.478   33.569   9.2645   2.6060   12.414   7.1656   8.7845   2.7976  163.833   59.444  163.122   31.210 0.7109680 67.13883 
1 1 1    8   35    5 o  192.904   44.788   18.431   5.7083   19.396   8.0371   17.450   8.1088  199.492   63.084  186.317   63.595 13.17575 89.57628 
1 1 1    8   35    7 o   81.705   27.422  -1.6778   2.9995  -6.2827   6.8409  -0.5819   3.3374   86.782   42.341   76.628   34.858 10.15352 54.84370 
1 1 1    8   35    9 o   84.158   26.637  -0.1707   2.7787  -3.2611   4.1216   2.4041   3.7622   72.633   34.797   95.683   40.339 -23.05009 53.27352 
1 1 1    8   35   11 o  110.443   47.002   4.7384   5.1879   0.0000   0.0000   4.7384   5.1879  ?   ?   110.443   47.002      ?      ? 
1 1 1    8   35   13 o  119.706   55.513   9.2895   9.0433   0.0000   0.0000   9.2895   9.0433  ?   ?   119.706   55.513      ?      ? 
1 1 1    8   35   15 o  118.345   40.416   6.3686   3.2750   0.0000   0.0000   6.3686   3.2750  ?   ?   118.345   40.416      ?      ? 
1 1 1    8   35   17 o   80.694   27.391   0.5703   3.6489  -6.8533   8.4056   2.2940   4.0504   77.715   39.273   83.673   38.193 -5.958603 54.78217 
1 1 1    8   36    0 o   61.859   29.577  -0.7307   4.3364  -0.7307   4.3364  -0.7307   4.3364   61.859   41.828   61.859   41.828 -0.000000 0.000000 
1 1 1    8   36    2 o  108.429   31.991   3.6314   3.6075  -1.9099   6.4513   6.1525   4.3515   93.408   44.412  123.450   46.057 -30.04163 63.98153 
1 1 1    8   36    4 o   93.816   30.652  -0.6375   3.4295   4.4790   6.3798  -2.7168   4.0670  113.919   50.255   73.712   35.108 40.20713 61.30349 
1 1 1    8   36    6 o   80.104   24.221   0.0690   2.3003  -5.0574   3.7173   3.2503   2.9284   62.658   30.707   97.549   37.465 -34.89178 48.44135 
1 1 1    8   36    8 o  113.861   34.330   3.7370   3.2731   11.650   7.1027   1.6035   3.6881  139.965   56.867   87.756   38.477 52.20911 68.66094 
1 1 1    8   36   10 o  130.983   49.687   8.9909   5.1107   0.0000   0.0000   8.9909   5.1107  ?   ?   130.983   49.687      ?      ? 
1 1 1    8   36   12 o  202.691   41.015   17.305   4.5782   0.0000   0.0000   17.305   4.5782  ?   ?   202.691   41.015      ?      ? 
1 1 1    8   36   14 f  108.583   34.986   4.6036   3.8415   19.560   8.3655   0.6069   4.3244  138.068   59.244   79.099   37.232 58.96913 69.97242 
1 1 1    8   37    1 o  172.504   34.087   13.873   3.6526   10.333   5.2480   17.199   5.0870  142.831   50.991  202.176   45.249 -59.34497 68.17306 
1 1 1    8   37    3 o  137.693   32.625   8.5472   2.9812   7.4590   3.8791   10.117   4.6594  129.699   43.987  145.686   48.193 -15.98738 65.24899 
1 1 1    8   37    5 o  126.145   36.463   7.9889   3.8580   12.488   7.1281   6.1249   4.5882  137.983   56.617  114.307   45.963 23.67599 72.92527 
1 1 1    8   37    7 o   89.973   29.878   0.8246   3.2041   4.9514   6.8198  -0.3443   3.6297  104.825   48.469   75.122   34.950 29.70303 59.75510 
1 1 1    8   37    9 o   90.001   40.868   2.4921   4.5614   0.0000   0.0000   2.4921   4.5614  ?   ?    90.001   40.868      ?      ? 
1 1 1    8   37   11 o   66.375   23.670  -4.7946   3.0081  -5.2716   6.9661  -4.6853   3.3351   76.653   38.323   56.096   27.790 20.55685 47.33900 
1 1 1    8   37   13 o  131.505   39.255   4.6714   2.9206 -15.8749   7.5353   8.3036   3.1682  ?   ?   131.505   39.255      ?      ? 
1 1 1    8   38    0 o   81.850   35.590   4.0713   4.5557   4.0713   4.5557   4.0713   4.5557   81.850   50.332   81.850   50.332 -0.000000 0.000000 
1 1 1    8   38    2 o  128.236   33.359   9.9704   3.9309   3.3366   6.9859   13.044   4.7551   96.952   46.132  159.520   48.198 -62.56831 66.71719 
1 1 1    8   38    4 o   97.290   31.506   3.9554   3.6887   5.7611   6.8554   3.2195   4.3762  102.429   47.780   92.151   41.082 10.27869 63.01295 
1 1 1    8   38    6 o   96.038   31.302   3.7892   3.5773   7.5801   6.8994   2.3953   4.1836  105.589   48.797   86.486   39.221 19.10287 62.60499 
1 1 1    8   38    8 o  182.985   36.038   13.893   3.6269   0.0000   0.0000   13.893   3.6269  ?   ?   182.985   36.038      ?      ? 
1 1 1    8   39    1 o   87.754   28.789   3.0445   3.6489  -1.1312   6.3900   5.0649   4.4448   79.468   39.201   96.040   42.171 -16.57226 57.57745 
1 1 1    8   39    3 o   76.537   26.245  -0.2076   3.4711  -2.1450   6.3892   0.6036   4.1344   77.078   38.234   75.996   35.964 1.082298 52.49012 
1 1 1    9    0    1 o  296.302   6.7360   25.116   1.6059   25.116   1.6059   25.116   1.6059  296.302   9.5261  296.302   9.5261 -0.000000 0.000000 
1 1 1    9    0    5 o  1349.21   22.705  521.314   24.675  521.314   24.675  521.314   24.675  1349.21   32.110  1349.21   32.110 -0.000000 0.000000 
1 1 1    9    0    7 o  472.027   16.025   64.074   6.0684   64.074   6.0684   64.074   6.0684  472.027   22.662  472.027   22.662 -0.000000 0.000000 
1 1 1    9    0    9 o  884.310   14.442  223.714   10.288  223.714   10.288  223.714   10.288  884.310   20.425  884.310   20.425 -0.000000 0.000000 
1 1 1    9    0   11 o  884.946   14.318  224.095   10.207  224.095   10.207  224.095   10.207  884.946   20.249  884.946   20.249 0.000000 0.000000 
1 1 1    9    0   13 o  1250.23   13.362  446.794   13.467  446.794   13.467  446.794   13.467  1250.23   18.897  1250.23   18.897 0.000000 0.000000 
1 1 1    9    0   15 o  457.774   13.278   60.147   4.8836   60.147   4.8836   60.147   4.8836  457.774   18.779  457.774   18.779 -0.000000 0.000000 
1 1 1    9    0   17 o  356.681   14.666   36.699   4.1863   36.699   4.1863   36.699   4.1863  356.681   20.741  356.681   20.741 0.000000 0.000000 
1 1 1    9    0   19 o   98.123   25.619   3.6850   1.8786   3.6850   1.8786   3.6850   1.8786   98.123   36.230   98.123   36.230 0.000000 0.000000 
1 1 1    9    0   23 o  348.242   13.198   34.935   3.6825   34.935   3.6825   34.935   3.6825  348.242   18.665  348.242   18.665 -0.000000 0.000000 
1 1 1    9    0   25 o  178.693   25.808   10.231   3.2892   10.231   3.2892   10.231   3.2892  178.693   36.499  178.693   36.499 -0.000000 0.000000 
1 1 1    9    0   27 o  237.611   16.671   16.659   3.1226   16.659   3.1226   16.659   3.1226  237.611   23.576  237.611   23.576 -0.000000 0.000000 
1 1 1    9    0   29 o  248.194   18.204   18.317   3.5541   18.317   3.5541   18.317   3.5541  248.194   25.744  248.194   25.744 0.000000 0.000000 
1 1 1    9    0   31 o  220.674   28.130   15.685   4.5231   15.685   4.5231   15.685   4.5231  220.674   39.782  220.674   39.782 0.000000 0.000000 
1 1 1    9    0   33 o   47.423   23.719  -4.1536   3.7139  -4.1536   3.7139  -4.1536   3.7139   47.423   33.543   47.423   33.543 -0.000000 0.000000 
1 1 1    9    0   35 o   75.101   34.339   1.3275   4.8805   1.3275   4.8805   1.3275   4.8805   75.101   48.562   75.101   48.562 -0.000000 0.000000 
1 1 1    9    0   37 o   38.716   19.980  -7.4410   3.7492  -7.4410   3.7492  -7.4410   3.7492   38.716   28.256   38.716   28.256 -0.000000 0.000000 
1 1 1    9    1    0 o  636.952   15.168  116.181   7.7718  116.181   7.7718  116.181   7.7718  636.952   21.451  636.952   21.451 -0.000000 0.000000 
1 1 1    9    1    2 o  608.169   30.072  105.854   10.430  105.854   10.430   0.0000   0.0000  608.169   30.072  ?   ?       ?      ? 
1 1 1    9    1    4 f  1577.54   32.889  713.237   29.588   0.0000   0.0000  713.237   29.588  ?   ?   1577.54   32.889      ?      ? 
1 1 1    9    1    6 o  677.904   14.155  131.366   5.3506  131.471   6.8820  131.206   8.5078  678.408   17.788  677.399   22.023 1.009094 28.30965 
1 1 1    9    1    8 o  963.198   18.974  262.742   9.8715  275.800   17.128  256.246   12.079  980.141   30.642  946.254   22.385 33.88678 37.94769 
1 1 1    9    1   10 o  967.722   15.776  268.229   8.7064  267.850   12.296  268.609   12.329  967.041   22.297  968.403   22.324 -1.362366 31.55190 
1 1 1    9    1   12 o   78.493   18.524   1.5889   1.0272   0.6547   1.5070   2.3996   1.4039   66.591   26.489   90.394   25.902 -23.80386 37.04780 
1 1 1    9    1   14 o  384.320   11.826   42.752   2.3972   40.828   4.2538   43.647   2.9018  377.708   19.748  390.931   13.016 -13.22342 23.65174 
1 1 1    9    1   16 o  412.032   11.820   47.245   2.6466   44.557   3.2389   52.644   4.5913  394.979   14.379  429.085   18.763 -34.10574 23.63903 
1 1 1    9    1   18 o  632.013   9.6962  114.097   3.4927  118.150   4.9263  110.001   4.9527  643.319   13.428  620.706   13.992 22.61273 19.39236 
1 1 1    9    1   20 o  503.803   21.604   72.822   6.2063   71.756   8.8003   73.877   8.7540  500.104   30.856  507.501   30.247 -7.396973 43.20859 
1 1 1    9    1   22 o  107.344   30.635   1.5876   2.8607  -2.6838   5.6141   3.0857   3.3247  102.068   45.937  112.620   40.545 -10.55183 61.27085 
1 1 1    9    1   24 o  159.812   28.269   7.7251   2.5543   7.9130   3.3795   7.4747   3.9011  162.082   37.331  157.544   42.460 4.538116 56.53709 
1 1 1    9    1   26 o  343.924   13.769   33.967   2.5673   33.885   4.3663   34.010   3.1739  343.259   22.305  344.589   16.151 -1.330444 27.53856 
1 1 1    9    1   28 o  117.997   27.088   3.7766   2.1890   5.8139   3.1590   1.8948   3.0361  138.063   38.612   97.931   38.001 40.13163 54.17588 
1 1 1    9    1   30 o  306.392   17.545   26.950   2.9948   25.032   3.7929   30.126   4.8805  292.886   22.708  319.899   26.752 -27.01273 35.09037 
1 1 1    9    1   32 o   83.032   25.198  -1.0162   2.3914  -4.7816   3.4557   2.4441   3.3127   64.525   31.154  101.539   39.613 -37.01451 50.39615 
1 1 1    9    1   34 o   97.783   28.151   2.2155   2.4661   1.8021   3.7276   2.5373   3.2887   96.641   40.413   98.925   39.200 -2.283539 56.30154 
1 1 1    9    1   36 o   84.852   27.706  -0.4215   3.1407   0.1494   4.2822  -1.0861   4.6205   86.134   39.299   83.571   39.064 2.563583 55.41132 
1 1 1    9    1   38 o   89.297   29.968   1.7320   4.2399  -5.4334   8.9736   3.7913   4.8108   84.004   42.209   94.590   42.552 -10.58543 59.93571 
1 1 1    9    2    1 o  980.453   15.328  274.632   8.5701  272.571   12.116  276.696   12.124  976.765   21.751  984.142   21.602 -7.376587 30.65506 
1 1 1    9    2    3 o  900.512   30.334  232.198   15.578  232.198   15.578   0.0000   0.0000  900.512   30.334  ?   ?       ?      ? 
1 1 1    9    2    5 o  772.549   18.800  170.525   7.8223  169.921   9.5903  171.727   13.520  770.979   21.812  774.118   30.626 -3.139404 37.59920 
1 1 1    9    2    7 o  1281.70   15.972  470.002   11.674  474.697   16.522  465.320   16.498  1288.11   22.491  1275.29   22.685 12.82202 31.94434 
1 1 1    9    2    9 o  1119.98   16.063  359.209   10.260  357.042   14.528  361.366   14.491  1116.59   22.815  1123.38   22.619 -6.782227 32.12662 
1 1 1    9    2   11 o  496.113   10.610   69.957   2.9854   73.797   4.5083   66.958   3.9840  508.131   15.558  484.095   14.431 24.03561 21.22018 
1 1 1    9    2   13 o  984.083   12.672  277.099   7.1092  285.462   10.043  268.699   10.065  999.021   17.627  969.144   18.211 29.87665 25.34481 
1 1 1    9    2   15 o  631.335   12.941  113.972   4.6577  109.795   6.5505  118.243   6.6242  619.614   18.538  643.057   18.063 -23.44342 25.88297 
1 1 1    9    2   17 o  383.356   10.707   43.042   2.1649   39.091   3.7888   44.958   2.6380  369.830   17.964  396.881   11.655 -27.05090 21.41401 
1 1 1    9    2   19 o  418.992   16.097   50.485   3.7826   48.704   5.8541   51.762   4.9560  412.479   24.887  425.504   20.424 -13.02481 32.19445 
1 1 1    9    2   21 o  572.909   15.640   93.921   5.1099   94.794   7.2205   93.046   7.2323  575.586   21.997  570.232   22.240 5.354004 31.28078 
1 1 1    9    2   23 o  290.669   14.191   22.745   2.2427   29.037   3.9637   19.782   2.7199  318.371   21.831  262.966   18.137 55.40433 28.38226 
1 1 1    9    2   25 o  291.892   17.383   24.134   2.7372   25.640   4.7732   23.396   3.3411  298.195   28.068  285.589   20.514 12.60657 34.76597 
1 1 1    9    2   27 o  209.529   23.259   12.959   2.6898   15.410   3.9074   10.750   3.7084  230.327   29.747  188.732   35.764 41.59534 46.51853 
1 1 1    9    2   29 o   79.019   25.154  -1.4428   2.3782  -0.9558   3.4876  -1.8660   3.2514   82.988   36.855   75.049   34.242 7.938454 50.30740 
1 1 1    9    2   31 o  147.070   27.610   7.1388   2.5539   10.206   3.4389   3.3660   3.8137  180.435   34.680  113.705   42.972 66.72938 55.22049 
1 1 1    9    2   33 o  116.761   30.392   3.8139   2.7604   6.2129   4.0636   1.7584   3.7615  135.045   45.023   98.477   40.838 36.56733 60.78467 
1 1 1    9    2   35 f  103.413   30.993   2.1621   3.3345  -0.8900   4.8376   4.9249   4.6026   88.875   40.998  117.951   46.490 -29.07552 61.98534 
1 1 1    9    2   37 o   83.849   28.187  -0.6948   3.3110   1.1454   6.1143  -1.4583   3.9384   93.754   44.174   73.944   35.024 19.81013 56.37384 
1 1 1    9    3    0 o   42.826   19.334   0.0966   1.4858   0.0966   1.4858   0.0966   1.4858   42.826   27.343   42.826   27.343 0.000000 0.000000 
1 1 1    9    3    2 o  146.513   19.154   6.2693   1.5629   6.8574   2.1999   5.6700   2.2207  154.859   24.910  138.167   29.103 16.69170 38.30742 
1 1 1    9    3    4 o  1607.39   32.576  740.744   29.862  740.744   29.862   0.0000   0.0000  1607.39   32.576  ?   ?       ?      ? 
1 1 1    9    3    6 o  1048.32   15.651  314.321   9.3568  311.167   13.232  317.476   13.233  1043.05   22.245  1053.60   22.024 -10.55139 31.30286 
1 1 1    9    3    8 o  504.677   13.733   72.374   3.6826   74.115   6.5620   71.573   4.4493  508.819   22.614  500.535   15.587 8.284180 27.46564 
1 1 1    9    3   10 o  289.552   15.179   24.450   1.9736   23.292   4.4466   24.734   2.2024  284.817   27.376  294.287   13.123 -9.469788 30.35897 
1 1 1    9    3   12 o  559.032   9.6961   88.912   3.0804   93.497   4.5916   85.160   4.1540  572.055   14.074  546.010   13.341 26.04510 19.39230 
1 1 1    9    3   14 f  749.063   11.960  160.669   5.0573  158.567   7.6943  162.268   6.7103  744.597   18.120  753.529   15.615 -8.931824 23.91998 
1 1 1    9    3   16 o   90.326   23.341   1.9316   1.5262   2.2896   1.8484   1.1646   2.7055   91.642   30.356   89.010   35.465 2.631813 46.68266 
1 1 1    9    3   18 o  100.802   21.342   2.9011   1.3744   1.7699   1.9801   3.9527   1.9092   86.403   31.264  115.202   29.062 -28.79890 42.68498 
1 1 1    9    3   20 o  652.988   15.394  121.968   5.7317  121.451   8.1587  122.471   8.0542  651.605   21.955  654.370   21.583 -2.764954 30.78718 
1 1 1    9    3   22 o  607.518   11.912  105.427   4.1213  113.406   5.9074   97.862   5.7525  629.931   16.444  585.105   17.240 44.82599 23.82467 
1 1 1    9    3   24 o  148.620   24.236   6.6138   2.0273   8.2092   2.9334   5.1550   2.8050  165.872   32.172  131.369   36.255 34.50264 48.47124 
1 1 1    9    3   26 o  485.651   16.263   66.268   4.4129   60.371   5.6075   75.860   7.1521  458.247   21.458  513.054   24.444 -54.80771 32.52603 
1 1 1    9    3   28 o   82.383   24.414   0.0447   2.0506  -2.4215   3.2085   1.7475   2.6661   72.094   33.303   92.672   35.708 -20.57742 48.82769 
1 1 1    9    3   30 o  191.046   25.451   11.237   2.7104   10.318   3.8677   12.125   3.7992  181.005   38.645  201.087   33.130 -20.08199 50.90180 
1 1 1    9    3   32 o  142.134   26.394   6.1329   2.4984   1.5818   3.4178   11.355   3.6612   95.639   39.219  188.629   35.333 -92.98972 52.78761 
1 1 1    9    3   34 o   99.121   28.972   1.8784   2.7329   0.1608   3.8072   3.7043   3.9254   87.348   38.663  110.895   43.160 -23.54684 57.94487 
1 1 1    9    3   36 o  114.641   28.197   0.1044   2.8947   12.830   4.9760  -6.4050   3.5589  171.669   48.620   57.613   28.571 114.0559 56.39324 
1 1 1    9    3   38 o   71.672   23.781  -0.3388   2.4652   0.2966   3.2363  -1.2171   3.8048   72.795   33.564   70.550   33.700 2.245468 47.56283 
1 1 1    9    4    1 o  2215.42   17.769  1403.70   22.449  1411.54   31.750  1395.87   31.745  2221.62   25.060  2209.22   25.197 12.39771 35.53733 
1 1 1    9    4    3 o  241.450   22.062   16.716   3.0350   17.544   4.2931   15.889   4.2912  247.458   30.421  235.443   31.959 12.01474 44.12310 
1 1 1    9    4    5 o  138.427   14.475   5.4707   1.1427   5.4707   1.1427   0.0000   0.0000  138.427   14.475  ?   ?       ?      ? 
1 1 1    9    4    7 o  1317.29   15.938  496.797   11.969  508.774   16.858  484.623   16.996  1333.38   22.170  1301.19   22.904 32.18896 31.87665 
1 1 1    9    4    9 o  400.850   13.964   46.220   2.8799   45.404   5.3739   46.548   3.4110  398.055   23.673  403.646   14.818 -5.591248 27.92821 
1 1 1    9    4   11 o  305.730   10.763   26.670   1.8746   28.381   2.7088   25.098   2.5969  315.131   15.073  296.329   15.367 18.80170 21.52534 
1 1 1    9    4   13 o  255.682   18.715   18.536   2.5921   18.050   3.1808   19.498   4.4723  251.001   22.222  260.364   30.120 -9.363678 37.43029 
1 1 1    9    4   15 o  177.255   24.155   9.0804   2.1784   8.8848   2.5774   9.5697   4.0763  176.037   25.673  178.474   40.923 -2.436661 48.30920 
1 1 1    9    4   17 o  636.385   10.272  116.218   3.6470  118.510   4.7189  112.819   5.7470  644.315   12.842  628.455   16.035 15.85968 20.54399 
1 1 1    9    4   19 o  351.564   15.092   35.049   3.0088   32.715   4.0043   38.075   4.5600  338.264   20.758  364.864   21.915 -26.59946 30.18497 
1 1 1    9    4   21 o  629.921   13.364  113.458   4.7992  117.151   6.8016  109.796   6.7728  640.155   18.631  619.687   19.165 20.46820 26.72812 
1 1 1    9    4   23 o  186.010   22.006   11.808   2.0403   5.3959   3.2321   16.057   2.6308  135.184   39.466  236.836   19.478 -101.6526 44.01120 
1 1 1    9    4   25 o  712.041   13.290  144.558   5.2306  148.402   8.5712  142.277   6.6025  719.106   20.901  704.975   16.423 14.13092 26.58065 
1 1 1    9    4   27 o  129.427   30.553   4.7923   2.9678   7.2822   3.4721  -1.9612   5.7183  154.305   39.338  104.549   46.759 49.75660 61.10549 
1 1 1    9    4   29 o  212.325   24.091   14.358   2.6603   7.9429   3.7903   20.587   3.7347  158.957   41.401  265.693   24.648 -106.7363 48.18287 
1 1 1    9    4   31 o  184.827   26.849   10.934   2.7039   10.082   4.3629   11.465   3.4453  174.807   43.842  194.846   31.006 -20.03975 53.69821 
1 1 1    9    4   33 o  109.475   27.713   3.3296   2.3974   0.5956   3.5007   5.7444   3.2900   88.418   38.136  130.531   40.221 -42.11300 55.42656 
1 1 1    9    4   35 o   70.247   35.302 -13.7520   6.2872 -13.7520   6.2872   0.0000   0.0000   70.247   35.302  ?   ?       ?      ? 
1 1 1    9    4   37 o   58.401   20.243  -4.0934   2.2335  -2.9917   3.4047  -4.9256   2.9592   63.648   30.777   53.155   26.305 10.49326 40.48687 
1 1 1    9    5    0 o  476.257   15.176   65.146   5.8024   65.146   5.8024   65.146   5.8024  476.257   21.463  476.257   21.463 -0.000000 0.000000 
1 1 1    9    5    2 o  1591.32   16.298  724.130   14.790  717.837   20.917  730.423   20.917  1584.39   23.149  1598.26   22.948 -13.86853 32.59631 
1 1 1    9    5    6 o  1463.51   18.829  618.240   13.543  622.649   15.633  604.985   27.109  1475.91   18.574  1451.11   32.758 24.80652 37.65712 
1 1 1    9    5    8 o  311.767   11.549   28.410   1.8723   26.216   3.3753   29.384   2.2502  302.724   19.551  320.810   12.299 -18.08566 23.09811 
1 1 1    9    5   10 o  1156.45   16.024  383.265   10.568  379.130   14.948  387.396   14.942  1150.18   22.789  1162.71   22.534 -12.53625 32.04834 
1 1 1    9    5   12 o  423.003   14.276   49.895   3.0747   48.350   3.5850   54.193   5.9789  411.306   15.284  434.699   24.118 -23.39328 28.55292 
1 1 1    9    5   14 o  672.196   12.574  128.942   4.8154  135.656   6.9990  122.906   6.6355  688.776   17.818  655.617   17.747 33.15900 25.14864 
1 1 1    9    5   16 o  489.957   10.279   68.494   2.8694   64.503   3.9968   72.739   4.1220  475.230   14.747  504.684   14.322 -29.45413 20.55715 
1 1 1    9    5   18 o   79.393   20.250   1.4543   1.1845   1.9443   1.7151   1.0073   1.6379   85.871   29.248   72.915   28.016 12.95585 40.50062 
1 1 1    9    5   20 o  304.424   16.897   26.554   2.9243   26.170   4.2919   26.887   3.9953  302.316   24.894  306.531   22.855 -4.215393 33.79453 
1 1 1    9    5   22 o  420.754   13.291   50.720   3.1840   48.096   4.5454   53.249   4.4615  410.005   19.440  431.504   18.130 -21.49826 26.58201 
1 1 1    9    5   24 f  243.222   19.046   17.477   2.5529   14.979   3.9918   19.205   3.3208  227.784   30.729  258.660   22.512 -30.87625 38.09300 
1 1 1    9    5   26 o  339.282   22.709   33.586   4.3741   34.869   5.9846   32.116   6.4089  346.628   30.275  331.937   33.856 14.69043 45.41795 
1 1 1    9    5   28 o  111.052   30.577   2.7046   2.6477   3.7728   2.9780  -1.3260   5.7847  115.172   38.543  106.933   47.478 8.238350 61.15358 
1 1 1    9    5   30 o  193.958   23.391   11.415   2.4847   14.746   3.6660   8.5840   3.3792  222.806   28.852  165.110   36.825 57.69617 46.78175 
1 1 1    9    5   32 o  126.821   29.566   5.2093   2.4667   5.3206   3.2367   5.0551   3.8100  127.734   39.982  125.908   43.567 1.825310 59.13263 
1 1 1    9    5   34 o   98.363   30.671  -0.2835   3.5176   4.1028   5.1919  -4.0056   4.7826  117.403   48.263   79.324   37.861 38.07871 61.34145 
1 1 1    9    5   36 o   77.620   26.242  -1.9225   2.8327  -2.2378   3.2938  -1.0269   5.5512   66.909   31.790   88.331   41.762 -21.42171 52.48467 
1 1 1    9    5   38 o   83.040   26.402   2.0262   2.6586   3.0928   3.5930   0.7358   3.9521   88.222   38.343   77.857   36.304 10.36491 52.80305 
1 1 1    9    6    1 o  800.302   15.076  183.123   6.8795  179.355   9.7276  186.895   9.7307  792.042   21.536  808.561   21.103 -16.51978 30.15161 
1 1 1    9    6    3 o  512.210   29.765   75.220   8.6946   0.0000   0.0000   75.220   8.6946  ?   ?   512.210   29.765      ?      ? 
1 1 1    9    6    5 o  719.228   18.541  147.410   7.1557  145.850   8.7262  150.611   12.503  714.031   21.430  724.425   30.263 -10.39392 37.08200 
1 1 1    9    6    7 o  393.966   18.631   44.991   3.5829   45.453   4.1262   43.577   7.2240  398.710   18.147  389.221   32.545 9.489197 37.26246 
1 1 1    9    6    9 o  1256.15   18.396  452.065   11.376  451.307   13.114  454.369   22.863  1256.06   18.308  1256.23   31.912 -0.1735840 36.79112 
1 1 1    9    6   11 o  545.518   14.941   86.574   4.4648   90.446   5.6559   80.170   7.2733  562.329   17.637  528.707   24.123 33.62207 29.88239 
1 1 1    9    6   13 o  819.920   14.267  192.731   6.5082  190.925   10.392  193.897   8.3484  816.413   22.319  823.427   17.778 -7.013733 28.53420 
1 1 1    9    6   15 o  429.163   15.138   51.674   3.6437   58.263   5.8203   47.428   4.6725  451.131   22.623  407.195   20.121 43.93622 30.27663 
1 1 1    9    6   17 o  800.065   12.180  182.890   5.4941  182.804   8.4283  182.954   7.2450  799.783   18.479  800.347   15.873 -0.5641479 24.36039 
1 1 1    9    6   19 o  686.342   15.135  134.673   5.9227  138.855   8.4549  130.643   8.2992  696.813   21.276  675.871   21.532 20.94250 30.27045 
1 1 1    9    6   21 o  657.478   11.983  122.039   4.3420  129.286   7.2180  117.930   5.4354  672.412   18.823  642.544   14.833 29.86786 23.96525 
1 1 1    9    6   23 o  539.700   12.118   82.405   3.6676   88.273   5.8186   78.537   4.7244  555.330   18.373  524.069   15.808 31.26160 24.23696 
1 1 1    9    6   25 o  238.477   19.212   17.007   2.5083   13.654   3.8869   19.399   3.2836  217.133   31.390  259.821   22.160 -42.68727 38.42391 
1 1 1    9    6   27 o  163.484   30.698   8.1010   2.9562   10.542   4.3438   5.9949   4.0348  185.023   42.113  141.944   44.675 43.07913 61.39516 
1 1 1    9    6   29 o  116.350   27.443   3.6344   2.1895   2.0809   2.8997   5.6949   3.3395   97.218   37.295  135.482   40.270 -38.26402 54.88674 
1 1 1    9    6   31 o  170.001   24.018   8.3279   2.4821   2.0654   3.2158   17.557   3.9039   98.178   38.808  241.823   28.308 -143.6446 48.03539 
1 1 1    9    6   33 o  104.458   29.475   2.7220   2.6997   0.9039   4.3878   3.8295   3.4246   97.453   42.363  111.462   40.995 -14.00896 58.95076 
1 1 1    9    6   35 o  103.583   27.683   3.6301   2.3468   4.8113   2.9336   1.5307   3.9109  115.000   38.250   92.166   40.030 22.83453 55.36620 
1 1 1    9    6   37 o   65.424   22.166  -2.0649   2.3187  -1.7250   3.6162  -2.3022   3.0216   69.214   33.004   61.634   29.598 7.580551 44.33198 
1 1 1    9    7    0 o  908.390   15.212  236.038   11.130  236.038   11.130  236.038   11.130  908.390   21.513  908.390   21.513 0.000000 0.000000 
1 1 1    9    7    2 o  487.213   14.982   67.886   4.1625   69.083   5.9049   66.702   5.8687  491.493   21.067  482.933   21.309 8.560699 29.96482 
1 1 1    9    7    4 o  547.960   29.678   86.170   9.2743   86.170   9.2743   0.0000   0.0000  547.960   29.678  ?   ?       ?      ? 
1 1 1    9    7    6 o  1133.25   15.499  367.714   10.014  357.979   14.158  377.459   14.166  1118.18   22.203  1148.32   21.631 -30.13916 30.99790 
1 1 1    9    7    8 o  622.817   17.149  110.951   5.2709  110.682   6.0822  111.762   10.563  622.165   17.142  623.468   29.707 -1.303467 34.29847 
1 1 1    9    7   10 o  698.253   18.214  134.507   6.2840  129.380   7.1969  150.959   12.892  672.417   18.768  724.088   31.221 -51.67090 36.42737 
1 1 1    9    7   12 o  1241.46   16.237  441.669   11.495  446.915   16.251  436.415   16.263  1248.88   22.817  1234.04   23.109 14.83582 32.47491 
1 1 1    9    7   14 o  413.003   10.537   49.222   2.4426   45.587   3.7228   51.969   3.2368  399.404   16.344  426.602   13.304 -27.19818 21.07475 
1 1 1    9    7   16 o  963.318   14.008  262.504   7.4708  276.866   12.266  254.035   9.4195  983.758   21.864  942.879   17.518 40.87933 28.01615 
1 1 1    9    7   18 o  657.343   12.758  123.496   4.7814  120.941   6.7907  126.009   6.7336  650.578   18.303  664.108   17.779 -13.53027 25.51676 
1 1 1    9    7   20 o  139.282   20.852   5.8146   1.6808   8.9801   2.3971   2.7526   2.3575  177.104   23.733  101.459   34.292 75.64487 41.70373 
1 1 1    9    7   22 o  382.938   12.894   42.247   2.7548   40.456   4.3228   43.472   3.5748  375.915   20.164  389.961   16.074 -14.04626 25.78720 
1 1 1    9    7   24 o  220.682   18.214   14.049   2.2837   14.444   3.1250   13.596   3.3453  224.122   24.450  217.243   27.002 6.879028 36.42706 
1 1 1    9    7   26 o  261.427   18.231   19.389   2.6824   15.552   3.5556   24.458   4.0864  231.808   26.896  291.046   24.620 -59.23792 36.46288 
1 1 1    9    7   28 o  285.232   27.244   24.192   4.4095   21.101   6.0025   27.815   6.4989  265.151   39.696  305.313   37.325 -40.16135 54.48766 
1 1 1    9    7   30 o  124.670   27.988   4.6608   2.2530   3.4786   3.0040   6.1806   3.4061  110.240   38.654  139.101   40.488 -28.86139 55.97673 
1 1 1    9    7   32 o   78.195   24.849  -1.0301   2.2970   0.1960   3.5199  -1.9394   3.0313   86.832   37.842   69.558   32.216 17.27320 49.69802 
1 1 1    9    7   34 o   82.723   26.216  -0.6708   2.5786   1.6360   3.9090  -2.4481   3.4311   95.158   40.656   70.289   33.109 24.86958 52.43198 
1 1 1    9    7   36 o   74.059   24.342  -0.8368   2.4905  -1.6204   3.6908  -0.1818   3.3745   72.337   34.155   75.781   34.693 -3.444038 48.68464 
1 1 1    9    7   38 o   69.577   23.102  -0.0756   2.2833  -0.5555   3.7809   0.1999   2.8647   70.941   33.806   68.213   31.496 2.727943 46.20390 
1 1 1    9    8    1 o  447.391   14.999   57.266   3.8265   56.414   5.4106   58.117   5.4124  444.054   21.366  450.729   21.056 -6.675659 29.99759 
1 1 1    9    8    5 o  262.237   15.786   19.709   2.3580   20.771   3.3312   18.642   3.3382  269.359   21.686  255.115   22.945 14.24364 31.57107 
1 1 1    9    8    7 o  571.607   12.919   94.011   3.9180   94.987   4.7531   91.943   6.9205  576.598   14.455  566.616   21.417 9.981628 25.83847 
1 1 1    9    8    9 o  1231.65   32.163  437.034   22.591  437.034   22.591   0.0000   0.0000  1231.65   32.163  ?   ?       ?      ? 
1 1 1    9    8   11 o  978.418   19.521  272.861   10.289  268.647   12.584  281.361   17.871  968.237   22.790  988.600   31.699 -20.36310 39.04106 
1 1 1    9    8   13 f  509.334   21.001   72.419   5.7510   68.520   6.9623   80.792   10.203  488.918   24.970  529.750   33.773 -40.83276 42.00181 
1 1 1    9    8   15 o  847.939   13.945  203.294   6.4392  213.267   10.982  198.070   7.9491  863.275   22.307  832.602   16.741 30.67352 27.89014 
1 1 1    9    8   17 o  654.573   14.790  121.667   5.1633  124.893   9.1414  120.155   6.2569  660.590   24.266  648.556   16.917 12.03418 29.58023 
1 1 1    9    8   19 o  699.805   18.912  140.539   7.0456  140.934   8.5568  139.706   12.416  701.947   21.376  697.664   31.205 4.282898 37.82430 
1 1 1    9    8   21 o  276.955   14.186   21.492   2.2160   18.812   2.8879   25.328   3.4559  256.416   19.749  297.494   20.370 -41.07800 28.37169 
1 1 1    9    8   23 o  558.611   10.265   88.475   3.2475   95.339   4.9549   83.306   4.2999  577.389   15.048  539.833   13.967 37.55530 20.53083 
1 1 1    9    8   25 o  160.038   26.111   7.7709   2.3448   6.5082   3.2808   9.0893   3.3524  146.450   38.700  173.626   35.065 -27.17587 52.22294 
1 1 1    9    8   27 o  203.701   31.841   13.912   3.4528   9.3600   6.2130   15.946   4.1532  174.020   55.512  233.383   31.205 -59.36299 63.68103 
1 1 1    9    8   29 f  214.923   32.065   14.299   3.6334   13.129   4.4345   16.688   6.3374  204.491   39.455  225.355   50.556 -20.86333 64.12992 
1 1 1    9    8   31 o  215.369   24.201   14.625   2.8682   12.742   4.1471   16.351   3.9712  198.766   37.970  231.973   30.019 -33.20685 48.40276 
1 1 1    9    8   33 o  152.895   30.988   8.4043   2.9538   11.051   4.1927   5.7958   4.1621  177.148   42.118  128.642   45.465 48.50691 61.97609 
1 1 1    9    8   35 o   76.217   24.615  -0.7281   2.4204   0.7810   3.4337  -2.2184   3.4123   83.402   36.826   69.032   32.670 14.36911 49.22902 
1 1 1    9    8   37 o   62.934   21.652  -3.0276   2.4668  -3.8896   3.8270  -2.4148   3.2266   63.387   31.083   62.480   30.151 0.9071198 43.30424 
1 1 1    9    9    0 o  1117.90   15.447  357.443   13.915  357.443   13.915  357.443   13.915  1117.90   21.845  1117.90   21.845 -0.000000 0.000000 
1 1 1    9    9    4 o  949.481   15.173  258.114   8.2158  256.493   11.622  259.734   11.615  946.487   21.532  952.475   21.384 -5.988098 30.34653 
1 1 1    9    9    6 o  1220.72   15.724  426.919   10.946  423.633   15.470  430.214   15.490  1215.99   22.309  1225.44   22.165 -9.446045 31.44780 
1 1 1    9    9    8 f  643.967   12.988  118.283   4.5607  117.414   5.6635  119.887   7.6925  640.925   15.495  647.008   20.848 -6.082947 25.97554 
1 1 1    9    9   10 o  890.595   17.038  227.507   8.2996  227.689   10.367  227.182   13.850  891.799   20.385  889.391   27.306 2.408386 34.07573 
1 1 1    9    9   12 o  1185.42   15.810  401.852   10.680  419.015   15.462  386.193   14.769  1209.58   22.415  1161.26   22.301 48.31519 31.61952 
1 1 1    9    9   14 o  362.666   24.257   36.687   4.6981   34.716   5.6511   41.100   8.4537  347.862   28.486  377.469   39.271 -29.60684 48.51477 
1 1 1    9    9   16 o  195.635   21.151   10.914   2.3426   10.489   3.1055   11.475   3.5685  191.295   28.467  199.974   31.291 -8.679443 42.30235 
1 1 1    9    9   18 o  710.466   22.770  144.887   9.2209  151.359   13.130  138.589   12.952  726.192   31.706  694.741   32.691 31.45020 45.54032 
1 1 1    9    9   20 o  324.095   13.509   29.436   2.4519   27.076   3.1344   33.156   3.9359  307.756   17.859  340.434   20.273 -32.67737 27.01722 
1 1 1    9    9   22 o  125.878   21.933   4.4203   1.8123   1.0623   2.5361   7.9248   2.5908   85.754   34.281  166.002   27.367 -80.24815 43.86535 
1 1 1    9    9   24 o  453.197   13.308   59.276   3.3734   56.798   5.2540   61.014   4.4002  444.824   20.712  461.570   16.716 -16.74637 26.61582 
1 1 1    9    9   26 o  279.576   16.624   22.598   2.6459   21.174   3.7539   24.003   3.7300  270.693   24.317  288.460   22.674 -17.76721 33.24826 
1 1 1    9    9   28 o  212.651   21.396   13.143   2.4583   14.023   4.2677   12.707   3.0074  216.787   34.519  208.515   25.290 8.272415 42.79251 
1 1 1    9    9   30 o   94.462   30.529  -2.3449   3.6828  -0.7317   5.3880  -3.7596   5.0455  101.977   45.515   86.946   40.699 15.03047 61.05726 
1 1 1    9    9   32 o  108.688   29.000   2.1739   2.7858  -1.7459   3.8337   6.5596   4.0551   79.728   36.676  137.649   44.932 -57.92091 57.99961 
1 1 1    9    9   34 o   95.143   27.103   2.4558   2.2772   3.0712   3.1513   1.7832   3.2943   99.692   38.707   90.594   37.947 9.097794 54.20503 
1 1 1    9    9   36 f   66.423   22.381  -2.0673   2.3610  -4.5818   3.9619  -0.6826   2.9401   64.444   31.606   68.403   31.697 -3.958504 44.76208 
1 1 1    9   10    1 o  492.695   30.063   69.785   8.4470   0.0000   0.0000   69.785   8.4470  ?   ?   492.695   30.063      ?      ? 
1 1 1    9   10    3 o  382.970   21.167   42.188   4.6196   40.330   6.5287   44.052   6.5375  374.452   30.573  391.488   29.282 -17.03604 42.33364 
1 1 1    9   10    5 o  1047.55   18.568  311.329   10.539  326.771   18.166  303.495   12.939  1065.87   29.886  1029.24   22.044 36.62927 37.13623 
1 1 1    9   10    7 o  1003.65   15.382  288.595   8.8040  286.858   12.466  290.323   12.435  1000.62   21.847  1006.68   21.660 -6.066162 30.76402 
1 1 1    9   10    9 o  1186.47   15.151  403.176   10.251  407.444   14.531  398.948   14.464  1192.73   21.363  1180.20   21.490 12.53174 30.30209 
1 1 1    9   10   11 o  1103.68   19.752  348.982   11.782  347.382   14.496  352.095   20.223  1101.16   23.084  1106.19   32.057 -5.035889 39.50328 
1 1 1    9   10   13 o  981.433   15.454  275.696   8.6412  276.621   11.967  274.688   12.491  983.236   21.342  979.630   22.358 3.606262 30.90898 
1 1 1    9   10   15 o  195.147   34.837   12.307   4.0706   15.632   4.9677   5.5118   7.1017  233.074   37.374  157.220   58.802 75.85362 69.67387 
1 1 1    9   10   17 o  639.356   23.982  117.457   8.7082  116.963   12.897  117.870   11.806  637.905   35.452  640.807   32.305 -2.902039 47.96305 
1 1 1    9   10   19 o   78.523   25.176  -2.0247   2.4282  -2.4085   3.2892  -1.5650   3.5998   74.203   34.074   82.843   37.072 -8.640724 50.35244 
1 1 1    9   10   21 o  674.199   11.437  129.755   4.3790  127.825   5.9093  132.107   6.5215  668.720   15.495  679.678   16.825 -10.95776 22.87313 
1 1 1    9   10   23 o  987.755   11.752  279.310   6.6196  277.658   9.3743  280.953   9.3489  984.824   16.691  990.685   16.548 -5.861023 23.50350 
1 1 1    9   10   25 f  142.274   23.039   6.4145   2.3115  -1.0200   3.6321   11.475   2.9966   85.374   37.777  199.174   26.382 -113.7994 46.07742 
1 1 1    9   10   27 o  213.807   23.110   14.195   2.5633   15.448   3.2113   11.995   4.2554  230.506   24.429  197.108   39.237 33.39825 46.22008 
1 1 1    9   10   29 o  226.794   27.232   17.586   3.0982   11.655   5.1707   20.907   3.8697  187.411   48.129  266.177   25.493 -78.76546 54.46321 
1 1 1    9   10   31 o  154.765   34.125   8.1547   3.2793   7.1780   4.2026   9.6753   5.2438  144.943   45.590  164.587   50.789 -19.64439 68.24941 
1 1 1    9   10   33 o  106.057   27.336   2.0135   2.5821  -2.5374   3.5274   7.2667   3.7898   71.339   33.594  140.775   43.134 -69.43588 54.67247 
1 1 1    9   10   35 o   69.736   22.615  -0.8004   2.0715  -2.0670   2.9452   0.4396   2.9141   63.643   30.186   75.830   33.682 -12.18653 45.22928 
1 1 1    9   10   37 o   65.689   22.532  -2.3777   2.5980  -1.2698   3.9050  -3.2575   3.4799   70.303   33.731   61.074   29.884 9.229237 45.06467 
1 1 1    9   11    2 o  738.285   21.246  156.833   8.9418  161.742   12.643  151.920   12.648  749.951   29.562  726.619   30.523 23.33228 42.49145 
1 1 1    9   11    4 o  348.157   15.231   34.725   3.0224   36.208   4.2931   33.269   4.2558  355.552   21.173  340.763   21.899 14.78824 30.46101 
1 1 1    9   11    6 o  736.109   15.248  155.225   6.4012  155.163   9.0531  155.286   9.0522  735.964   21.570  736.255   21.559 -0.2914429 30.49693 
1 1 1    9   11    8 o  691.050   15.110  136.767   5.9547  136.318   8.4540  137.210   8.3887  689.907   21.487  692.194   21.251 -2.287048 30.22070 
1 1 1    9   11   10 o  618.354   23.681  110.156   8.3440  108.845   12.002  111.382   11.608  614.655   34.240  622.054   32.723 -7.398132 47.36175 
1 1 1    9   11   12 o  767.362   14.989  167.236   6.5023  159.614   8.5671  177.594   9.9865  747.022   20.110  787.703   22.231 -40.68073 29.97703 
1 1 1    9   11   14 o  657.698   13.022  123.624   4.8839  125.111   6.9177  122.147   6.8961  661.646   18.333  653.750   18.497 7.895569 26.04311 
1 1 1    9   11   16 o  1227.06   26.563  432.883   18.537  436.677   27.297  429.637   25.253  1231.67   38.863  1222.45   36.223 9.212891 53.12616 
1 1 1    9   11   18 o  140.071   51.625   4.5486   5.4349   0.0000   0.0000   4.5486   5.4349  ?   ?   140.071   51.625      ?      ? 
1 1 1    9   11   20 o  761.518   13.669  165.568   5.9123  162.004   7.9717  169.925   8.8142  752.533   18.575  770.502   20.059 -17.96838 27.33887 
1 1 1    9   11   22 o  243.107   14.602   16.766   1.9401   17.583   3.2814   16.327   2.4055  247.428   23.255  238.786   17.665 8.641830 29.20322 
1 1 1    9   11   24 o  558.513   10.497   89.608   3.3153   91.686   4.4405   86.991   4.9834  566.019   13.757  551.007   15.859 15.01215 20.99397 
1 1 1    9   11   26 o   93.597   27.380   0.6387   2.4174   2.0513   3.5492  -0.5838   3.3018  104.080   40.888   83.113   36.424 20.96671 54.75906 
1 1 1    9   11   28 o  137.899   30.735   5.8425   2.6639   6.5093   4.1853   5.3884   3.4539  143.883   45.526  131.915   41.304 11.96838 61.47065 
1 1 1    9   11   30 o  121.539   37.331   1.1856   4.9231   4.2546   6.9473  -1.9102   6.9776  134.087   55.544  108.991   49.894 25.09616 74.66267 
1 1 1    9   11   32 o   66.880   22.579  -4.4795   2.4098  -1.0330   3.6344  -7.1835   3.2192   80.026   36.393   53.734   26.735 26.29169 45.15731 
1 1 1    9   11   34 o  141.491   27.698   7.5270   2.3083   7.7096   3.3762   7.3666   3.1630  142.413   39.949  140.569   38.379 1.844269 55.39680 
1 1 1    9   11   36 o   70.160   23.099  -1.2567   2.3834  -4.5412   3.5093   1.5554   3.2471   59.278   29.205   81.041   35.797 -21.76322 46.19867 
1 1 1    9   12    1 o  163.229   25.225   8.0802   2.2896   9.5870   3.1742   6.4458   3.3058  179.802   32.136  146.656   38.891 33.14616 50.45049 
1 1 1    9   12    3 o  699.074   14.999  139.976   5.9795  140.566   8.4625  139.387   8.4502  700.551   21.182  697.597   21.241 2.953308 29.99734 
1 1 1    9   12    5 f  531.087   12.848   79.410   3.5911   84.001   6.5622   77.447   4.2906  541.555   21.248  520.620   14.451 20.93524 25.69657 
1 1 1    9   12    7 o  1044.96   18.537  313.175   10.416  312.789   12.758  313.946   18.035  1045.11   21.406  1044.80   30.269 0.3046875 37.07346 
1 1 1    9   12    9 o  305.266   17.018   26.702   2.9559   29.186   4.2309   24.334   4.1313  319.183   23.243  291.348   24.865 27.83521 34.03674 
1 1 1    9   12   11 o  1033.50   22.958  307.123   13.525  302.731   19.326  311.340   18.936  1026.11   33.026  1040.89   31.900 -14.77710 45.91618 
1 1 1    9   12   13 o  1085.28   16.369  337.171   10.119  334.654   14.636  339.477   14.007  1081.30   23.734  1089.26   22.548 -7.964478 32.73732 
1 1 1    9   12   15 o  732.912   17.038  153.762   7.1082  153.105   10.359  154.346   9.7713  731.349   24.838  734.474   23.328 -3.124695 34.07537 
1 1 1    9   12   17 o  550.464   33.770   87.085   10.601   0.0000   0.0000   87.085   10.601  ?   ?   550.464   33.770      ?      ? 
1 1 1    9   12   19 o  710.825   14.173  144.174   5.7347  151.299   8.4272  138.030   7.8264  727.097   20.323  694.551   19.759 32.54608 28.34528 
1 1 1    9   12   21 o  857.062   15.141  210.648   7.3913  210.357   10.201  210.971   10.724  856.558   20.883  857.567   21.929 -1.008240 30.28159 
1 1 1    9   12   23 o  1115.70   12.764  353.331   8.0140  378.261   12.555  336.191   10.411  1148.18   19.175  1083.22   16.853 64.96497 25.52798 
1 1 1    9   12   25 o  149.135   29.222   6.2889   2.5142   9.0869   4.2408   4.7725   3.1221  171.419   43.352  126.851   39.197 44.56870 58.44479 
1 1 1    9   12   27 o  127.992   27.505   4.9958   2.2516   3.4080   3.2564   6.4502   3.1168  112.271   40.158  143.713   37.597 -31.44238 55.01077 
1 1 1    9   12   29 o  133.229   30.243   5.6572   2.6176   4.9163   3.6827   6.4136   3.7212  126.012   42.859  140.447   42.683 -14.43550 60.48699 
1 1 1    9   12   31 o  129.824   36.222   4.5776   3.3588   3.8210   3.7723   7.4722   7.3786  113.381   42.766  146.267   58.474 -32.88681 72.44357 
1 1 1    9   12   33 o   97.579   27.079   2.3258   2.2805   0.4473   3.0297   4.7813   3.4640   79.688   34.908  115.470   41.405 -35.78214 54.15710 
1 1 1    9   12   35 o   84.127   26.216   0.5763   2.6095   3.9849   3.7643  -2.5772   3.6207  100.793   41.225   67.461   32.397 33.33247 52.43198 
1 1 1    9   12   37 o   70.239   23.390  -0.0327   2.4413  -1.1673   3.5455   0.9902   3.3665   66.498   31.967   73.979   34.153 -7.480675 46.77946 
1 1 1    9   13    2 o  1067.88   18.931  327.464   10.863  327.453   13.303  327.486   18.822  1069.11   21.818  1066.64   30.943 2.471069 37.86152 
1 1 1    9   13    4 o  833.142   15.251  198.803   7.2461  197.898   10.241  199.709   10.254  831.238   21.604  835.045   21.532 -3.806519 30.50185 
1 1 1    9   13    6 o  1171.21   15.731  392.953   10.505  401.796   14.864  384.127   14.850  1184.43   22.005  1157.98   22.486 26.44958 31.46196 
1 1 1    9   13    8 o  809.056   14.510  187.008   6.6568  184.566   8.9241  190.071   9.9948  803.252   19.481  814.860   21.508 -11.60760 29.01931 
1 1 1    9   13   10 o   87.139   21.623   1.7443   1.4080   2.9283   1.9568   0.4733   2.0275  100.983   31.003   73.295   30.149 27.68725 43.24509 
1 1 1    9   13   12 o  344.927   30.726   34.811   5.9604   30.361   8.7969   38.587   8.1043  323.840   47.633  366.014   38.826 -42.17422 61.45206 
1 1 1    9   13   14 o  952.182   16.263  259.455   8.8274  250.387   12.477  268.543   12.491  935.466   23.388  968.898   22.605 -33.43237 32.52682 
1 1 1    9   13   18 o  523.677   23.477   77.388   4.9911   81.151   13.054   76.743   5.4014  529.300   43.247  518.054   18.283 11.24646 46.95315 
1 1 1    9   13   20 o  808.455   15.967  187.558   7.2670  187.969   9.5503  186.994   11.200  809.894   20.677  807.017   24.335 2.876404 31.93346 
1 1 1    9   13   22 o  282.717   19.613   23.134   3.1499   22.030   4.5919   24.116   4.3289  276.150   29.158  289.285   26.240 -13.13425 39.22639 
1 1 1    9   13   24 o  195.062   34.546   13.880   3.7269   4.2366   8.3085   16.309   4.1700  153.447   61.799  236.678   30.895 -83.23106 69.09111 
1 1 1    9   13   26 o  149.364   28.254   7.0158   2.5887   3.9991   3.7668   9.7158   3.5636  121.188   43.207  177.541   36.418 -56.35307 56.50745 
1 1 1    9   13   28 o   87.525   25.593   0.0780   2.2046   2.8647   3.3200  -2.1200   2.9486  106.421   40.125   68.630   31.781 37.79107 51.18629 
1 1 1    9   13   30 o  175.682   42.760   9.6652   3.9526   16.578   10.903   8.6192   4.2411  193.451   72.760  157.913   44.943 35.53806 85.52094 
1 1 1    9   13   32 o  160.277   36.834   8.2757   3.1175   6.7909   3.4230   15.497   7.5490  137.357   40.757  183.196   61.367 -45.83882 73.66814 
1 1 1    9   13   34 o  121.905   28.728   5.6674   2.5639   9.2615   3.7622   2.5508   3.5033  150.737   42.131   93.072   39.066 57.66428 57.45551 
1 1 1    9   13   36 o  131.176   30.894   8.9981   2.9722   12.849   4.2639   5.3590   4.1451  160.870   44.813  101.482   42.539 59.38757 61.78857 
1 1 1    9   14    1 o  1124.29   31.022  363.640   19.890   0.0000   0.0000  363.640   19.890  ?   ?   1124.29   31.022      ?      ? 
1 1 1    9   14    3 o  1086.37   15.509  338.032   9.6064  329.373   13.561  346.754   13.610  1072.35   22.175  1100.39   21.688 -28.03699 31.01781 
1 1 1    9   14    5 o  1162.48   15.640  387.003   10.368  382.942   14.653  391.076   14.673  1156.35   22.220  1168.61   22.016 -12.26257 31.27988 
1 1 1    9   14    7 o  782.142   15.338  175.154   6.8391  170.022   9.6823  180.264   9.6618  770.658   22.030  793.626   21.347 -22.96826 30.67659 
1 1 1    9   14    9 o  849.418   15.247  206.428   7.3851  209.484   10.508  203.445   10.382  855.634   21.535  843.203   21.589 12.43103 30.49316 
1 1 1    9   14   11 o  1047.02   19.230  312.396   10.651  318.804   19.114  309.510   12.827  1053.81   31.805  1040.22   21.623 13.58667 38.45957 
1 1 1    9   14   13 o  804.350   15.735  184.931   7.0236  185.602   11.330  184.511   8.9509  805.249   24.672  803.451   19.535 1.797852 31.46973 
1 1 1    9   14   15 o  1094.64   32.332  344.078   20.183   0.0000   0.0000  344.078   20.183  ?   ?   1094.64   32.332      ?      ? 
1 1 1    9   14   17 o  359.231   35.808   45.048   5.1831   28.056   11.305   49.571   5.8322  302.545   67.262  415.916   24.589 -113.3711 71.61510 
1 1 1    9   14   19 o  739.282   16.143  155.725   6.7075  151.005   8.7139  162.589   10.508  725.940   21.048  752.624   24.481 -26.68390 32.28571 
1 1 1    9   14   21 o  306.574   28.204   28.450   4.4392   24.939   8.0243   29.999   5.3290  290.779   48.390  322.369   28.987 -31.59048 56.40735 
1 1 1    9   14   23 o  320.104   20.028   29.177   3.6081   26.632   4.6677   32.954   5.6873  303.318   26.984  336.890   29.602 -33.57159 40.05535 
1 1 1    9   14   25 o  292.526   24.210   23.816   3.8151   29.984   6.8699   21.065   4.5876  317.068   37.993  267.985   30.018 49.08359 48.42031 
1 1 1    9   14   27 o  127.768   29.885   5.1255   2.9829  -4.3422   6.3521   7.8040   3.3787   98.682   46.019  156.855   38.140 -58.17244 59.76913 
1 1 1    9   14   29 o  115.309   28.208   4.0748   2.3106   2.7844   3.4981   5.0735   3.0775  105.324   40.812  125.294   38.949 -19.96958 56.41510 
1 1 1    9   14   31 o   85.571   29.269  -8.8963   4.0953   0.6428   6.6581 -14.7013   5.1939  109.723   49.644   61.418   31.017 48.30544 58.53702 
1 1 1    9   14   33 o   91.505   27.791   1.6265   2.7409  -1.3279   4.5141   3.3519   3.4496   82.317   38.521  100.693   40.070 -18.37547 55.58270 
1 1 1    9   14   35 o   64.183   21.817  -2.5362   2.4072  -5.8374   3.9428  -0.5744   3.0394   60.008   29.812   68.358   31.862 -8.350239 43.63434 
1 1 1    9   15    0 o  980.140   21.755  275.852   17.159  275.852   17.159  275.852   17.159  980.140   30.766  980.140   30.766 0.000000 0.000000 
1 1 1    9   15    4 o  1040.19   15.486  309.767   9.1860  313.870   12.993  305.665   12.989  1047.10   21.758  1033.27   22.043 13.83020 30.97261 
1 1 1    9   15    6 o  413.012   20.222   47.490   4.4385   45.111   5.3187   52.946   8.0556  396.906   23.498  429.118   32.917 -32.21222 40.44385 
1 1 1    9   15    8 o  965.718   15.625  266.844   8.6045  271.540   12.217  262.222   12.120  974.164   21.991  957.272   22.202 16.89203 31.24949 
1 1 1    9   15   10 o  622.811   24.199  111.439   8.5914  111.957   12.340  110.953   11.969  624.151   34.669  621.472   33.770 2.679443 48.39759 
1 1 1    9   15   12 o  255.295   30.655   21.277   2.1595   16.758   8.0111   21.631   2.2425  235.338   59.621  275.252   14.286 -39.91429 61.30919 
1 1 1    9   15   14 o  822.978   21.064  193.705   9.8861   0.0000   0.0000  193.705   9.8861  ?   ?   822.978   21.064      ?      ? 
1 1 1    9   15   16 o  1191.50   23.830  408.809   16.166  403.404   23.457  413.697   22.309  1183.65   34.750  1199.35   32.617 -15.69714 47.65989 
1 1 1    9   15   18 f  896.982   21.814  232.981   10.592  235.745   13.112  227.790   17.970  906.144   25.373  887.820   35.492 18.32379 43.62889 
1 1 1    9   15   20 o  593.986   19.139  100.886   6.3622  105.570   10.110   97.815   8.1864  604.785   29.313  583.187   24.614 21.59821 38.27705 
1 1 1    9   15   22 o  285.159   18.702   21.898   2.8691   28.488   5.2054   19.023   3.4386  313.439   29.121  256.879   23.472 56.55975 37.40321 
1 1 1    9   15   24 o  219.439   24.539   14.119   2.8433   15.296   4.9173   13.527   3.4850  223.554   40.041  215.324   28.380 8.229980 49.07848 
1 1 1    9   15   26 o  183.044   34.819   10.969   3.4768   10.522   6.6486   11.137   4.0790  178.005   57.492  188.084   39.295 -10.07834 69.63815 
1 1 1    9   15   28 o  146.445   38.256   5.9413   3.4632   9.2958   8.2137   5.2160   3.8193  164.432   62.843  128.458   43.646 35.97375 76.51278 
1 1 1    9   15   30 o  144.562   36.291   4.3706   3.3788   15.487   7.3658   1.4081   3.8024  193.540   60.273   95.585   40.440 97.95411 72.58217 
1 1 1    9   15   32 o  113.166   29.332   4.1590   2.9282  -0.9887   4.6045   7.6545   3.7943   85.772   39.718  140.559   43.174 -54.78638 58.66462 
1 1 1    9   15   34 o   92.703   29.174   2.5160   3.0389   2.7429   4.9933   2.3826   3.8299   95.311   43.069   90.096   39.363 5.214645 58.34746 
1 1 1    9   16    1 o  438.167   18.779   55.764   4.4361   52.785   7.5272   57.350   5.4909  428.671   30.790  447.664   21.508 -18.99365 37.55858 
1 1 1    9   16    5 f  1389.71   16.066  552.802   12.733  553.988   18.005  551.615   18.008  1391.21   22.694  1388.22   22.746 2.995361 32.13113 
1 1 1    9   16    7 o  971.286   15.643  269.898   8.6646  270.456   12.276  269.344   12.231  972.284   22.140  970.287   22.105 1.996887 31.28545 
1 1 1    9   16    9 o  675.440   15.713  130.497   6.0522  130.682   8.6121  130.316   8.5071  675.903   22.343  674.977   22.100 0.9257202 31.42636 
1 1 1    9   16   11 o  731.372   19.677  149.194   7.5581  163.708   13.974  143.193   8.9859  755.206   32.447  707.539   22.270 47.66687 39.35379 
1 1 1    9   16   13 o  369.742   20.882   39.098   4.4032   0.0000   0.0000   39.098   4.4032  ?   ?   369.742   20.882      ?      ? 
1 1 1    9   16   15 o  327.185   24.997   30.679   4.6641   0.0000   0.0000   30.679   4.6641  ?   ?   327.185   24.997      ?      ? 
1 1 1    9   16   17 o  654.698   15.506  122.902   5.7607  123.477   7.7807  122.204   8.5701  656.563   20.780  652.833   23.019 3.729919 31.01139 
1 1 1    9   16   19 o  304.407   18.073   26.218   3.0223   28.298   5.0811   25.080   3.7596  313.263   28.442  295.551   22.306 17.71277 36.14555 
1 1 1    9   16   21 o  450.273   15.705   58.301   4.0239   57.466   5.4935   59.268   5.9106  446.921   21.554  453.625   22.848 -6.703979 31.40994 
1 1 1    9   16   23 o  142.121   29.841   6.4816   2.7205   2.7192   4.8118   8.2493   3.2982  119.997   47.459  164.245   36.189 -44.24784 59.68243 
1 1 1    9   16   25 o  118.730   34.414   1.5464   3.4478   0.1195   4.0955   5.0184   6.3883   95.623   41.247  141.837   55.099 -46.21349 68.82754 
1 1 1    9   16   27 o  115.926   33.425   2.3835   3.1354   4.4786   6.0922   1.6286   3.6569  132.900   53.132   98.952   40.571 33.94769 66.85053 
1 1 1    9   16   29 o  159.414   36.285   9.8983   3.9052   5.2851   7.6370   11.532   4.5442  136.745   57.553  182.083   44.206 -45.33743 72.57040 
1 1 1    9   16   31 o  107.074   33.959   1.7473   4.2814  -0.2058   7.1065   2.8601   5.3642  105.246   48.944  108.902   47.089 -3.656013 67.91844 
1 1 1    9   16   33 o  108.391   33.368   2.2844   3.1578   11.958   7.0115  -0.1769   3.5369  139.777   56.603   77.006   35.351 62.77030 66.73525 
1 1 1    9   16   35 o   83.782   26.502   0.8495   2.7935   6.2577   4.1806  -3.5129   3.7547  105.383   43.313   62.180   30.551 43.20255 53.00396 
1 1 1    9   17    0 f  566.982   15.267   92.215   6.9581   92.215   6.9581   92.215   6.9581  566.982   21.590  566.982   21.590 0.000000 0.000000 
1 1 1    9   17    2 o  1105.37   19.236  353.149   11.375  341.649   19.717  358.886   13.925  1090.73   31.697  1120.00   21.802 -29.26331 38.47144 
1 1 1    9   17    6 o  697.982   15.630  139.368   6.2211  137.885   8.8134  140.841   8.7827  694.266   22.260  701.698   21.948 -7.432678 31.26015 
1 1 1    9   17    8 o  951.933   15.720  259.280   8.5305  251.698   12.087  266.804   12.041  938.015   22.595  965.852   21.860 -27.83704 31.43921 
1 1 1    9   17   10 o  826.757   20.338  198.266   8.8100  189.948   15.828  202.001   10.605  813.154   34.131  840.360   22.128 -27.20624 40.67634 
1 1 1    9   17   12 o  600.873   20.237  102.945   5.6453  104.567   12.362  102.517   6.3456  602.859   35.957  598.887   18.580 3.972595 40.47352 
1 1 1    9   17   14 f  388.746   30.383   43.421   6.7359   0.0000   0.0000   43.421   6.7359  ?   ?   388.746   30.383      ?      ? 
1 1 1    9   17   16 o  1043.00   20.348  309.528   11.092  321.373   20.417  304.568   13.211  1055.24   33.927  1030.76   22.474 24.48193 40.69574 
1 1 1    9   17   18 o  227.135   31.225   13.655   3.5135   20.341   7.0848   11.475   4.0461  258.701   49.829  195.570   37.644 63.13132 62.45022 
1 1 1    9   17   20 o  639.183   19.093  118.530   6.8116  115.859   10.731  120.332   8.8149  632.202   29.765  646.164   23.921 -13.96216 38.18604 
1 1 1    9   17   22 o  232.047   26.079   16.390   3.2934   13.101   4.7733   19.379   4.5499  206.475   41.968  257.620   30.969 -51.14453 52.15719 
1 1 1    9   17   24 o  130.804   31.153   4.4277   3.3844  -3.9572   5.8375   8.6733   4.1538   96.273   44.630  165.335   43.476 -69.06244 62.30553 
1 1 1    9   17   26 o  133.506   36.879   4.3995   3.4058   5.6070   7.8327   4.1181   3.7820  147.321   59.767  119.690   43.223 27.63120 73.75866 
1 1 1    9   17   28 o  115.954   34.584  -2.4579   3.7211   10.029   7.4778  -6.5678   4.2900  163.030   60.464   68.877   33.589 94.15266 69.16708 
1 1 1    9   17   30 o  108.913   30.490   3.5730   2.8194   3.0661   4.0983   4.0284   3.8847  105.874   43.127  111.953   43.112 -6.078934 60.97997 
1 1 1    9   17   32 o  101.515   32.645   2.3615   4.0634   2.2746   5.1820   2.5001   6.5478   98.905   44.354  104.124   47.911 -5.218811 65.28931 
1 1 1    9   17   34 o   88.232   29.917   1.1627   3.4640   5.8759   7.7841  -0.0012   3.8681  100.893   48.196   75.571   35.457 25.32185 59.83405 
1 1 1    9   18    1 o  413.385   15.849   48.894   3.7346   47.048   5.2672   50.761   5.2961  405.514   22.776  421.256   22.045 -15.74258 31.69766 
1 1 1    9   18    3 o  422.015   21.022   50.458   4.7494   52.853   8.3852   49.327   5.7629  428.904   34.281  415.126   24.343 13.77808 42.04490 
1 1 1    9   18    7 o  1260.49   15.977  454.515   11.485  451.069   16.255  457.950   16.229  1255.70   22.699  1265.28   22.491 -9.578491 31.95447 
1 1 1    9   18    9 o  485.285   16.796   67.436   4.6455   66.055   6.6420   68.759   6.4998  480.379   24.245  490.190   23.251 -9.810699 33.59203 
1 1 1    9   18   11 o  530.959   21.303   77.633   5.8408   88.679   11.215   73.521   6.8420  555.164   35.422  506.754   23.675 48.40985 42.60530 
1 1 1    9   18   13 f  434.953   30.185   54.364   7.4872   0.0000   0.0000   54.364   7.4872  ?   ?   434.953   30.185      ?      ? 
1 1 1    9   18   15 o  624.878   22.767  113.270   7.1435  111.113   13.835  114.053   8.3414  619.138   39.184  630.619   23.194 -11.48175 45.53437 
1 1 1    9   18   17 o  468.198   13.082   61.380   3.2278   66.512   5.9149   59.203   3.8519  481.428   21.544  454.969   14.846 26.45880 26.16362 
1 1 1    9   18   19 o  565.809   18.222   92.328   5.7998   91.963   7.5966   92.838   8.9803  565.027   23.575  566.592   27.793 -1.564941 36.44485 
1 1 1    9   18   21 o  181.153   29.467   9.4087   2.7635   11.999   5.1925   8.3853   3.2641  196.297   47.006  166.009   35.550 30.28825 58.93499 
1 1 1    9   18   23 o  148.784   33.128   7.2201   3.1018   8.4271   3.5593   3.4097   6.3240  164.322   38.632  133.246   53.827 31.07648 66.25563 
1 1 1    9   18   25 o   94.986   30.707  -3.0285   2.4794   3.7301   6.7720  -4.0747   2.6644  133.867   55.086   56.104   27.153 77.76332 61.41450 
1 1 1    9   18   27 f  132.221   35.336   3.4609   2.7354   10.480   7.2421   2.2930   2.9542  167.536   59.891   96.907   37.518 70.62946 70.67200 
1 1 1    9   18   29 o  101.841   32.770  -0.8658   3.1359   5.4798   7.4628  -2.2265   3.4558  131.497   56.178   72.186   33.756 59.31092 65.53938 
1 1 1    9   18   31 o  119.256   35.885   5.6228   4.2500   4.1932   5.6613   7.4687   6.4331  111.099   48.207  127.412   53.169 -16.31293 71.76963 
1 1 1    9   18   33 o   91.486   30.692   0.8908   2.9764   8.5164   7.7491  -0.4290   3.2237  112.210   51.807   70.762   32.926 41.44835 61.38479 
1 1 1    9   19    0 o  179.906   26.515   10.377   3.3917   10.377   3.3917   10.377   3.3917  179.906   37.498  179.906   37.498 -0.000000 0.000000 
1 1 1    9   19    2 o  338.542   17.767   32.863   3.4231   30.537   4.8543   35.164   4.8277  326.556   26.066  350.528   24.150 -23.97281 35.53429 
1 1 1    9   19    4 o  456.046   16.663   59.586   4.3272   56.081   6.1402   63.043   6.0990  442.656   24.323  469.435   22.782 -26.77887 33.32642 
1 1 1    9   19    8 o  422.143   22.592   50.377   4.9731   49.250   5.9042   53.130   9.2265  414.711   24.964  429.575   37.662 -14.86340 45.18475 
1 1 1    9   19   10 o  770.321   20.537  171.128   8.2676  168.165   15.018  172.417   9.9035  764.513   34.445  776.128   22.375 -11.61481 41.07388 
1 1 1    9   19   12 o  520.446   30.380   77.875   9.0170   0.0000   0.0000   77.875   9.0170  ?   ?   520.446   30.380      ?      ? 
1 1 1    9   19   14 o  295.799   31.715   25.628   3.1794   26.302   9.7335   25.547   3.3639  292.927   60.276  298.671   19.750 -5.743927 63.42936 
1 1 1    9   19   16 o  332.246   17.253   32.301   2.9656   30.374   5.4151   33.127   3.5444  324.439   29.267  340.053   18.277 -15.61447 34.50546 
1 1 1    9   19   18 o  352.509   39.973   43.416   6.4448   27.648   12.153   49.587   7.6019  291.950   73.143  413.067   32.271 -121.1163 79.94541 
1 1 1    9   19   20 o  519.183   20.985   78.075   6.0482   80.115   9.7893   76.816   7.6919  523.476   32.791  514.890   26.196 8.586853 41.97001 
1 1 1    9   19   22 o  170.181   38.978   8.9764   4.3216   7.4099   5.7938   10.941   6.4884  156.600   53.751  183.762   56.461 -27.16188 77.95530 
1 1 1    9   19   24 o  149.884   33.355   7.1850   3.3113   4.5830   4.7771   9.5913   4.5939  128.936   48.227  170.831   46.090 -41.89517 66.70924 
1 1 1    9   19   26 o  216.676   31.829   15.290   3.7206   18.619   6.0913   13.308   4.6990  233.544   47.355  199.807   42.543 33.73729 63.65828 
1 1 1    9   19   28 f  100.588   29.889   1.8684   2.9794  -1.4666   5.2957   3.4129   3.6039   93.340   43.000  107.836   41.525 -14.49659 59.77724 
1 1 1    9   19   30 o  109.772   31.888   3.8343   3.4420   0.0007   5.5895   6.1762   4.3686   95.207   43.972  124.337   46.195 -29.12920 63.77665 
1 1 1    9   19   32 o   76.750   26.247  -2.0362   3.2048  -2.0175   5.9124  -2.0440   3.8137   83.229   40.321   70.271   33.614 12.95879 52.49487 
1 1 1    9   20    1 o  1047.64   15.740  314.081   9.3997  303.832   13.312  324.272   13.274  1030.53   22.652  1064.75   21.861 -34.22046 31.48027 
1 1 1    9   20    3 o  992.914   15.699  282.053   8.8883  276.315   12.559  287.811   12.581  982.766   22.408  1003.06   21.994 -20.29608 31.39817 
1 1 1    9   20    5 o  666.977   15.983  127.314   6.0780  126.053   8.6610  128.538   8.5318  663.692   22.883  670.261   22.320 -6.568298 31.96586 
1 1 1    9   20    7 o  934.691   32.950  251.097   17.563  251.097   17.563   0.0000   0.0000  934.691   32.950  ?   ?       ?      ? 
1 1 1    9   20    9 o  653.479   19.774  122.883   5.9252  121.971   13.116  123.117   6.6415  650.711   35.344  656.248   17.746 -5.537170 39.54876 
1 1 1    9   20   11 o  571.240   23.202   93.526   7.5587   0.0000   0.0000   93.526   7.5587  ?   ?   571.240   23.202      ?      ? 
1 1 1    9   20   13 o  418.348   15.853   50.482   3.7595   46.720   5.4890   53.806   5.1597  403.422   23.858  433.275   20.882 -29.85248 31.70621 
1 1 1    9   20   15 o  425.006   27.684   56.909   4.9753   46.204   11.522   59.362   5.5161  395.211   51.121  454.802   21.267 -59.59058 55.36833 
1 1 1    9   20   17 o  452.258   27.912   62.889   5.3465   55.651   12.630   64.469   5.9014  431.155   51.366  473.361   21.861 -42.20517 55.82463 
1 1 1    9   20   19 f  238.059   43.246   19.665   5.9962   10.835   11.297   23.129   7.0751  197.765   74.125  278.352   44.570 -80.58690 86.49290 
1 1 1    9   20   21 o  106.820   33.653  -0.6859   3.5108  -0.4473   7.3984  -0.7552   3.9885  123.470   54.307   90.169   39.759 33.30118 67.30543 
1 1 1    9   20   23 o  168.389   26.607   9.2676   2.6329   13.111   3.5989   4.8415   3.8619  209.547   30.116  127.232   43.872 82.31425 53.21405 
1 1 1    9   20   25 o  114.286   28.260   2.6163   3.1896 -12.9900   6.5031   7.5599   3.6601   77.727   38.558  150.846   41.326 -73.11897 56.52055 
1 1 1    9   20   27 f  163.663   39.457   10.481   4.3400   11.126   7.0514   10.087   5.5065  164.991   59.085  162.335   52.310 2.656006 78.91361 
1 1 1    9   20   29 o   85.397   30.127  -9.8639   5.0704  -6.5713   9.1358 -11.3296   6.0953   98.475   48.234   72.319   36.110 26.15560 60.25331 
1 1 1    9   20   31 o   83.175   28.840  -4.1081   4.6389  -4.6096   6.9879  -3.7130   6.2029   84.161   41.415   82.189   40.148 1.971138 57.68081 
1 1 1    9   20   33 o  108.194   41.441   4.4286   3.4039 -12.8459   11.084   6.2272   3.5767  ?   ?   108.194   41.441      ?      ? 
1 1 1    9   21    0 o  889.311   15.670  226.328   11.223  226.328   11.223  226.328   11.223  889.311   22.161  889.311   22.161 0.000000 0.000000 
1 1 1    9   21    2 o  1044.80   15.868  312.397   9.4547  310.512   13.356  314.290   13.386  1041.63   22.484  1047.96   22.398 -6.331299 31.73626 
1 1 1    9   21    4 o  276.210   20.777   22.087   3.2437   19.538   4.7107   24.385   4.4732  260.778   31.675  291.642   26.895 -30.86362 41.55323 
1 1 1    9   21    6 o  728.996   19.593  151.859   7.7006  154.369   13.310  150.596   9.4412  732.784   31.850  725.209   22.828 7.575378 39.18606 
1 1 1    9   21    8 o  357.965   21.386   36.689   4.3658   36.689   4.3658   0.0000   0.0000  357.965   21.386  ?   ?       ?      ? 
1 1 1    9   21   12 o  596.644   14.940  101.950   5.0498  103.271   7.6136  100.912   6.7477  599.904   22.254  593.384   19.940 6.519592 29.88066 
1 1 1    9   21   14 o  631.318   20.477  106.419   6.1362  131.156   13.606  100.103   6.8751  671.954   35.506  590.682   20.410 81.27222 40.95367 
1 1 1    9   21   16 o  219.863   38.553   12.093   3.5163   19.878   9.9807   10.990   3.7572  248.673   68.291  191.054   35.799 57.61969 77.10509 
1 1 1    9   21   18 o  608.564   23.150  111.300   5.3967  104.213   14.616  112.419   5.8071  591.235   43.348  625.893   16.269 -34.65796 46.30039 
1 1 1    9   21   20 o  542.825   15.950   84.962   4.7953   87.957   7.8262   83.162   6.0678  549.341   24.981  536.309   19.839 13.03235 31.90079 
1 1 1    9   21   22 o  132.946   32.928   5.3383   3.1630   2.8163   5.2983   6.7348   3.9426  120.750   49.094  145.141   43.895 -24.39134 65.85586 
1 1 1    9   21   24 o  125.426   32.720   4.6159   3.2259   1.9232   5.1148   6.3946   4.1570  111.586   47.039  139.266   45.494 -27.68033 65.43995 
1 1 1    9   21   26 o  228.837   35.282   18.368   4.3955   23.136   7.1195   15.432   5.5874  251.086   51.450  206.588   48.292 44.49767 70.56335 
1 1 1    9   21   28 o   71.319   24.423  -4.9563   2.7681  -1.2007   4.7233  -6.9210   3.4163   86.735   40.186   55.904   27.769 30.83139 48.84679 
1 1 1    9   21   30 o  100.542   32.360   2.7531   3.9330   2.1656   4.8992   3.8180   6.5961   95.248   42.886  105.835   48.472 -10.58656 64.72011 
1 1 1    9   21   32 o   75.954   25.547  -0.6953   3.2249  -8.2450   6.2701   2.0203   3.7605   69.197   34.837   82.710   37.376 -13.51344 51.09342 
1 1 1    9   22    1 o  1119.28   15.834  358.721   10.107  360.586   14.311  356.867   14.276  1122.19   22.362  1116.38   22.423 5.814575 31.66799 
1 1 1    9   22    3 o  1246.86   16.024  445.242   11.389  462.513   16.195  428.344   16.020  1270.86   22.346  1222.86   22.972 47.99390 32.04763 
1 1 1    9   22    5 o  1020.66   15.955  298.473   9.2858  295.154   13.184  301.740   13.081  1014.99   22.777  1026.34   22.348 -11.35156 31.90991 
1 1 1    9   22    7 o  480.241   20.660   67.069   5.4467   63.485   8.8809   69.230   6.8958  469.245   33.187  491.237   24.615 -21.99182 41.31918 
1 1 1    9   22   11 o  907.897   19.068  240.231   9.6623  221.841   14.970  253.365   12.650  876.718   29.941  939.077   23.622 -62.35938 38.13692 
1 1 1    9   22   13 o  207.978   36.062   15.642   3.6777   6.2205   9.2231   17.423   4.0103  170.346   66.197  245.609   28.631 -75.26256 72.12301 
1 1 1    9   22   15 o  160.429   37.452   7.8750   3.4049   1.6733   9.6471   8.7575   3.6391  151.338   64.242  169.521   38.518 -18.18306 74.90421 
1 1 1    9   22   17 o  261.063   32.815   21.138   3.8754   20.241   8.3387   21.385   4.3768  251.014   59.211  271.112   28.308 -20.09810 65.63000 
1 1 1    9   22   19 o  147.543   42.912   4.1263   5.4276   3.2666   10.164   4.4692   6.4195  155.093   65.892  139.993   54.992 15.09958 85.82458 
1 1 1    9   22   21 o  113.081   37.246  -3.6603   5.2915  -4.4883   9.9612  -3.3348   6.2455  125.239   58.143  100.923   46.565 24.31617 74.49143 
1 1 1    9   22   23 o  151.407   37.208   8.1940   3.7877  -0.8677   10.628   9.5123   4.0539  133.620   61.319  169.194   42.165 -35.57391 74.41701 
1 1 1    9   22   25 o  136.232   33.547   6.4330   3.7665  -1.2574   6.7318   9.9376   4.5443  105.813   48.647  166.651   46.206 -60.83779 67.09390 
1 1 1    9   22   27 f   96.368   31.797  -2.4624   4.4406  -7.2028   6.2521   2.3634   6.3082   82.054   40.130  110.682   49.335 -28.62720 63.59485 
1 1 1    9   22   29 o  101.086   33.271   1.9223   4.6649   1.4502   6.6841   2.3706   6.5135   99.893   46.786  102.278   47.318 -2.385551 66.54285 
1 1 1    9   22   31 o   98.556   42.151   2.1400   3.9023 -13.2486   10.406   4.6582   4.2095  ?   ?    98.556   42.151      ?      ? 
1 1 1    9   23    0 o  1956.37   17.291  1095.11   27.272  1095.11   27.272  1095.11   27.272  1956.37   24.453  1956.37   24.453 -0.000000 0.000000 
1 1 1    9   23    2 o  484.820   17.159   67.181   4.7340   73.597   6.9142   61.518   6.4953  506.572   23.933  463.067   24.596 43.50449 34.31861 
1 1 1    9   23    4 o  698.532   14.610  140.255   5.6984  142.222   7.3741  137.340   8.9780  704.968   18.342  692.096   22.747 12.87201 29.22061 
1 1 1    9   23    6 o  1032.07   15.691  305.359   9.2272  308.408   13.358  302.577   12.761  1036.89   22.590  1027.26   21.782 9.633423 31.38129 
1 1 1    9   23    8 o  701.665   31.431  142.211   12.577   0.0000   0.0000  142.211   12.577  ?   ?   701.665   31.431      ?      ? 
1 1 1    9   23   10 o   94.436   31.297  -2.0270   2.4081  -1.7701   7.7104  -2.0548   2.5349  124.941   55.176   63.931   29.557 61.01074 62.59343 
1 1 1    9   23   12 o  275.464   38.784   25.089   5.4475   18.401   9.7731   28.104   6.5613  240.693   68.127  310.234   37.086 -69.54037 77.56726 
1 1 1    9   23   14 o  568.687   18.076   92.191   5.7840   86.051   7.4922  101.249   9.0998  546.017   24.061  591.357   26.983 -45.34052 36.15237 
1 1 1    9   23   16 o  253.967   41.400   23.218   5.8857   12.100   10.582   28.198   7.0821  200.204   72.300  307.729   40.355 -107.5256 82.79998 
1 1 1    9   23   18 o  548.963   27.121   95.822   6.5682   82.013   14.491   99.392   7.3685  512.924   49.541  585.001   22.087 -72.07733 54.24148 
1 1 1    9   23   20 o  330.493   31.857   34.368   5.8898   34.902   9.2631   34.007   7.6310  329.506   49.295  331.480   40.367 -1.974304 63.71402 
1 1 1    9   23   22 o  106.221   32.853   0.0552   3.9397   2.7535   5.0262  -4.2441   6.3443  115.799   47.532   96.644   45.366 19.15495 65.70602 
1 1 1    9   23   24 o  166.988   44.937   8.3748   5.4254   20.636   10.685   4.1152   6.2977  208.214   72.906  125.763   52.554 82.45078 89.87353 
1 1 1    9   23   26 o  107.325   33.290   0.7116   4.0898  -3.7774   5.4796   6.3571   6.1450   84.921   40.531  129.728   52.822 -44.80724 66.58011 
1 1 1    9   23   28 o  110.156   36.341   3.1172   5.1578   1.1958   6.1867   7.4960   9.3397   98.360   45.717  121.951   56.505 -23.59084 72.68297 
1 1 1    9   23   30 o   93.074   31.132   1.7921   4.9366 -13.1646   10.346   6.2008   5.6173   80.666   41.054  105.482   46.812 -24.81688 62.26443 
1 1 1    9   24    1 o  193.226   26.810   11.219   2.8449   10.713   4.1168   11.682   3.9360  188.618   39.537  197.834   36.221 -9.215759 53.62024 
1 1 1    9   24    3 o  392.695   18.476   44.384   4.1268   48.579   5.8859   40.328   5.7876  411.086   25.107  374.304   27.113 36.78168 36.95230 
1 1 1    9   24    5 o  369.127   19.096   39.291   4.0083   38.407   5.8570   40.070   5.4974  365.062   28.133  373.192   25.830 -8.130005 38.19252 
1 1 1    9   24    7 o  514.367   23.834   76.599   6.9857   72.446   9.7253   81.026   10.041  499.876   34.115  528.857   33.292 -28.98129 47.66770 
1 1 1    9   24    9 o  365.381   33.525   38.758   6.9857   0.0000   0.0000   38.758   6.9857  ?   ?   365.381   33.525      ?      ? 
1 1 1    9   24   11 o  581.910   22.621  100.674   6.1311   94.598   13.057  102.393   6.9443  567.003   40.381  596.818   20.403 -29.81451 45.24286 
1 1 1    9   24   13 o  598.099   22.423  103.429   6.2804  105.825   13.567  102.776   7.0854  598.719   39.734  597.480   20.794 1.239319 44.84622 
1 1 1    9   24   15 o  341.211   34.132   35.091   6.2042   36.598   10.973   34.382   7.5220  342.657   56.151  339.764   38.821 2.893005 68.26405 
1 1 1    9   24   17 o  221.568   29.595   16.726   3.5306   8.3510   5.3240   23.300   4.7170  162.123   51.352  281.013   29.434 -118.8901 59.18942 
1 1 1    9   24   19 o  186.077   40.682   6.0654   4.6689   25.324   9.9977   0.6938   5.2800  263.505   66.522  108.649   46.849 154.8566 81.36327 
1 1 1    9   24   21 o  218.967   39.785   16.430   4.0401   18.215   10.435   16.115   4.3818  209.388   72.120  228.547   33.619 -19.15906 79.57074 
1 1 1    9   24   23 o  128.906   39.107   3.6446   4.7909   2.4811   5.7450   6.3011   8.6810  114.988   49.212  142.825   60.793 -27.83710 78.21485 
1 1 1    9   24   25 o   86.138   29.331  -3.9258   3.8268  -4.0059   7.1151  -3.8932   4.5392   95.654   45.798   76.623   36.658 19.03021 58.66228 
1 1 1    9   24   27 o   80.926   28.557  -9.9512   5.2976  -7.4465   6.6519 -14.2953   8.7601   80.210   39.647   81.642   41.112 -1.432037 57.11464 
1 1 1    9   24   29 o   91.318   30.086   1.7805   3.8072   5.2211   5.7525  -0.9012   5.0786  102.499   46.281   80.138   38.454 22.36163 60.17163 
1 1 1    9   25    0 o  869.884   16.104  217.016   11.281  217.016   11.281  217.016   11.281  869.884   22.775  869.884   22.775 -0.000000 0.000000 
1 1 1    9   25    2 o  517.363   17.537   77.183   5.1566   74.520   7.5296   79.535   7.0766  508.720   25.954  526.006   23.591 -17.28564 35.07308 
1 1 1    9   25    4 o  487.316   17.407   68.392   4.8312   67.060   6.9745   69.621   6.6985  482.618   25.341  492.014   23.873 -9.396210 34.81477 
1 1 1    9   25    6 o  116.916   32.849   2.0649   3.3134   3.6668   4.8147   0.6237   4.5668  127.931   48.300  105.900   44.534 22.03117 65.69760 
1 1 1    9   25    8 o  499.719   23.379   77.103   4.8271   66.237   11.690   79.336   5.3000  473.532   43.290  525.905   17.671 -52.37244 46.75813 
1 1 1    9   25   10 o  164.150   35.417   8.1741   3.2181   0.0000   0.0000   8.1741   3.2181  ?   ?   164.150   35.417      ?      ? 
1 1 1    9   25   12 o  116.498   34.806   1.9269   2.5467  -0.1639   8.7293   2.1215   2.6625  136.652   59.573   96.345   36.010 40.30682 69.61105 
1 1 1    9   25   14 o  260.547   19.968   19.741   2.8367   20.284   4.7922   19.448   3.5196  262.337   32.032  258.758   23.851 3.578369 39.93648 
1 1 1    9   25   16 o  307.696   30.238   24.307   3.4848   36.402   10.691   22.869   3.6861  335.396   55.896  279.997   23.085 55.39877 60.47550 
1 1 1    9   25   18 o  241.697   39.491   21.324   4.4288   17.217   10.513   22.211   4.8832  211.895   72.412  271.499   31.539 -59.60410 78.98212 
1 1 1    9   25   20 o  113.502   30.930   1.4887   3.4902  -6.3299   5.3970   7.1088   4.5757   81.745   39.333  145.259   47.744 -63.51417 61.85931 
1 1 1    9   25   22 o  104.121   45.440   1.1319   5.0911   0.0000   0.0000   1.1319   5.0911  ?   ?   104.121   45.440      ?      ? 
1 1 1    9   25   24 o  106.464   32.928   1.8554   4.0415   4.7183   4.4790 -10.6881   9.3755  117.580   46.009   95.349   47.119 22.23145 65.85595 
1 1 1    9   25   26 o   87.945   29.559  -2.9444   4.3871 -15.5121   8.3429   1.8590   5.1578   78.341   39.534   97.549   43.955 -19.20825 59.11835 
1 1 1    9   25   28 o   84.745   29.232  -0.4036   3.7119  -2.5577   9.7494  -0.0384   4.0142   91.694   45.766   77.795   36.379 13.89928 58.46353 
1 1 1    9   26    1 o  338.539   20.403   33.132   3.9336   35.644   5.6599   30.786   5.4709  351.034   28.273  326.044   29.423 24.98956 40.80522 
1 1 1    9   26    3 o  624.180   16.720  112.203   5.9501  114.923   8.5415  109.638   8.2933  631.505   23.717  616.854   23.575 14.65082 33.44085 
1 1 1    9   26    5 o  301.406   28.691   26.750   4.9306   26.832   7.0498   26.671   6.8986  301.767   40.965  301.045   40.182 0.7219238 57.38259 
1 1 1    9   26    7 o  242.049   34.539   15.826   4.0872   23.406   8.4491   13.510   4.6700  273.249   56.099  210.849   40.307 62.40041 69.07759 
1 1 1    9   26    9 o  117.913   33.928   2.3601   3.3539  -6.1021   8.2090   4.0557   3.6746  113.380   52.686  122.445   42.762 -9.065079 67.85577 
1 1 1    9   26   11 o  545.133   25.453   86.337   7.9128   0.0000   0.0000   86.337   7.9128  ?   ?   545.133   25.453      ?      ? 
1 1 1    9   26   13 o  436.345   28.635   62.471   5.4514   49.330   11.891   65.968   6.1340  396.162   52.634  476.527   22.572 -80.36581 57.26930 
1 1 1    9   26   15 o  119.251   36.648   0.5188   2.8991   5.6365   9.1307  -0.0550   3.0573  156.321   64.103   82.181   35.542 74.13998 73.29665 
1 1 1    9   26   17 o  122.575   36.999   2.4747   3.4276   1.9071   9.3979   2.5618   3.6812  138.895   61.147  106.254   41.673 32.64192 73.99734 
1 1 1    9   26   19 o  108.028   31.738   2.5766   2.8201 -10.4874   9.4664   3.8489   2.9542  104.067   50.556  111.988   38.385 -7.920929 63.47686 
1 1 1    9   26   21 o  143.982   60.980   6.8977   8.6606   0.0000   0.0000   6.8977   8.6606  ?   ?   143.982   60.980      ?      ? 
1 1 1    9   26   23 o  179.298   52.851   13.399   5.7714   13.399   5.7714   0.0000   0.0000  179.298   52.851  ?   ?       ?      ? 
1 1 1    9   26   25 f  114.152   36.102   4.9165   4.5507   5.2606   5.1679   3.7286   9.6023  114.140   47.645  114.164   54.252 -0.2460480E-01 72.20328 
1 1 1    9   26   27 o   81.625   25.273   1.2868   2.5317  -9.1475   6.1951   3.3786   2.7739   70.098   35.201   93.152   36.274 -23.05489 50.54632 
1 1 1    9   27    0 o   68.768   31.523  -0.0963   4.1487  -0.0963   4.1487  -0.0963   4.1487   68.768   44.581   68.768   44.581 0.000000 0.000000 
1 1 1    9   27    2 o  308.930   21.630   27.716   3.8052   28.691   5.5664   26.860   5.2136  313.919   31.093  303.942   30.078 9.977142 43.26059 
1 1 1    9   27    4 o  277.782   32.175   23.363   4.9740   22.007   7.1259   24.651   6.9461  267.269   48.540  288.294   42.248 -21.02554 64.35074 
1 1 1    9   27    6 o  290.550   22.420   24.972   3.6641   22.097   5.4332   27.370   4.9623  274.318   34.730  306.782   28.364 -32.46439 44.84080 
1 1 1    9   27    8 o  336.077   33.307   37.853   5.0144   28.533   9.9521   41.025   5.8052  296.785   60.843  375.369   27.118 -78.58401 66.61317 
1 1 1    9   27   10 o  191.936   36.970   8.9602   2.9348   16.687   8.8098   7.9957   3.1126  222.596   65.207  161.277   34.859 61.31960 73.93974 
1 1 1    9   27   12 o  257.340   36.558   19.943   5.3652   0.0000   0.0000   19.943   5.3652  ?   ?   257.340   36.558      ?      ? 
1 1 1    9   27   14 o  146.426   39.080   5.9527   3.7266   5.3866   9.2104   6.0635   4.0751  153.999   63.887  138.852   45.028 15.14693 78.15990 
1 1 1    9   27   16 o  145.084   36.151   6.9742   3.2916   1.3301   9.4217   7.7589   3.5130  135.825   60.436  154.343   39.689 -18.51730 72.30276 
1 1 1    9   27   18 o   97.717   29.805   0.8541   2.9019   0.9959   4.9374   0.7793   3.5869  104.165   45.109   91.269   38.968 12.89561 59.60972 
1 1 1    9   27   20 o  139.348   60.039   6.0607   8.6573   0.0000   0.0000   6.0607   8.6573  ?   ?   139.348   60.039      ?      ? 
1 1 1    9   27   24 o  104.091   34.606   1.3217   4.0286   7.4090   9.5372  -0.0004   4.4446  122.459   56.866   85.724   39.455 36.73508 69.21265 
1 1 1    9   27   26 o   95.880   32.867   1.9267   5.4125   1.4601   6.7210   2.7876   9.1296   92.691   44.414   99.068   48.459 -6.377708 65.73369 
1 1 1    9   28    1 o  445.751   28.146   58.762   7.1318   53.722   9.6513   64.825   10.585  424.815   39.838  466.688   39.771 -41.87280 56.29196 
1 1 1    9   28    3 o  595.435   24.362  104.579   8.2700  102.432   11.751  106.687   11.641  589.075   34.979  601.796   33.919 -12.72125 48.72405 
1 1 1    9   28    5 o  311.013   21.885   28.309   3.8703   29.661   5.7415   27.183   5.2398  317.571   31.702  304.456   30.178 13.11560 43.76932 
1 1 1    9   28    7 o  278.713   19.091   23.412   2.9280   28.871   4.0216   17.254   4.2714  315.456   22.355  241.969   30.954 73.48648 38.18238 
1 1 1    9   28    9 o  134.780   34.884   5.1710   2.9572   0.3114   8.3931   5.8598   3.1598  132.391   58.046  137.169   38.707 -4.778290 69.76799 
1 1 1    9   28   11 o  136.435   36.230   5.2663   3.3296   0.8480   8.7049   6.0235   3.6036  134.543   59.049  138.326   41.996 -3.783340 72.45940 
1 1 1    9   28   13 o  191.573   38.731   11.098   3.3590   14.943   9.4791   10.546   3.5921  200.094   68.749  183.053   35.692 17.04047 77.46153 
1 1 1    9   28   15 o  112.878   35.134   1.4663   3.5791  -2.2227   9.1030   2.1408   3.8926  121.899   56.235  103.857   42.134 18.04220 70.26782 
1 1 1    9   28   17 o   83.190   28.477  -2.3488   2.7507 -12.0443   8.7881  -1.2958   2.8962   95.516   46.891   70.864   32.327 24.65223 56.95450 
1 1 1    9   28   19 o  111.601   45.899   3.2373   4.6985   0.0000   0.0000   3.2373   4.6985  ?   ?   111.601   45.899      ?      ? 
1 1 1    9   28   23 o  122.466   34.839   4.2439   5.3511 -19.3984   9.7415   14.461   6.4038   80.297   40.763  164.635   56.510 -84.33868 69.67773 
1 1 1    9   28   25 o   96.163   31.980   3.1228   4.4991   2.5409   6.4094   3.6881   6.3170   94.521   44.745   97.804   45.704 -3.283096 63.96035 
1 1 1    9   29    2 o  703.770   24.392  147.969   9.7392  131.821   13.807  163.960   13.740  663.655   36.481  743.884   32.388 -80.22882 48.78369 
1 1 1    9   29    4 o  348.573   20.975   35.631   4.1508   40.716   6.1112   31.276   5.6554  371.851   28.818  325.295   30.485 46.55649 41.95052 
1 1 1    9   29    6 o  142.260   37.222   4.7825   3.4832   8.3371   7.3037   3.7361   3.9629  165.214   60.003  119.306   44.062 45.90776 74.44380 
1 1 1    9   29    8 o  170.702   31.816   9.3773   3.1105   9.8950   4.8135   9.0061   4.0757  173.985   47.279  167.418   42.587 6.566284 63.63179 
1 1 1    9   29   10 o  191.978   39.238   10.562   3.6484   16.999   8.9851   9.2911   3.9923  214.562   66.528  169.394   41.625 45.16763 78.47630 
1 1 1    9   29   12 o  227.108   33.450   15.790   4.3323   0.0000   0.0000   15.790   4.3323  ?   ?   227.108   33.450      ?      ? 
1 1 1    9   29   14 o  145.860   39.610   6.8836   4.3262   5.3733   8.9428   7.3451   4.9431  145.083   61.727  146.637   49.655 -1.553986 79.22038 
1 1 1    9   29   16 o  141.393   38.575   5.0191   3.1947   11.942   8.9231   4.0012   3.4215  169.266   65.296  113.520   41.093 55.74551 77.15065 
1 1 1    9   29   18 o   64.569   31.607  -6.0364   3.9055   0.0000   0.0000  -6.0364   3.9055  ?   ?    64.569   31.607      ?      ? 
1 1 1    9   29   20 o   82.883   36.208   0.7396   3.2395   0.0000   0.0000   0.7396   3.2395  ?   ?    82.883   36.208      ?      ? 
1 1 1    9   29   22 o  102.534   30.867   2.3922   3.3752   7.6798   5.0933  -1.7478   4.5068  126.369   49.169   78.698   37.331 47.67162 61.73473 
1 1 1    9   29   24 o   77.938   27.157  -2.4826   3.7882  -8.7418   9.0170  -1.1411   4.1745   81.587   41.163   74.290   35.434 7.296806 54.31363 
1 1 1    9   30    1 o  469.228   39.235   67.402   10.499   67.402   10.499   0.0000   0.0000  469.228   39.235  ?   ?       ?      ? 
1 1 1    9   30    3 f  516.269   18.747   78.764   5.5072   73.392   7.8230   84.042   7.7543  498.105   27.540  534.434   25.442 -36.32901 37.49321 
1 1 1    9   30    5 f  144.661   34.186   6.5873   3.3128   7.1208   4.8068   6.1046   4.5720  149.117   48.931  140.204   47.753 8.913254 68.37127 
1 1 1    9   30    7 o  143.182   35.039   6.7639   3.5423   1.1081   7.5800   8.3441   4.0067  126.531   55.327  159.833   43.011 -33.30279 70.07862 
1 1 1    9   30    9 o  107.679   33.351   0.8691   2.9899   1.6708   7.4715   0.7162   3.2625  126.670   55.171   88.687   37.487 37.98280 66.70153 
1 1 1    9   30   11 o  172.102   39.768   9.7094   3.8239   12.583   8.8660   9.0528   4.2383  180.662   66.034  163.541   44.332 17.12082 79.53561 
1 1 1    9   30   13 o  122.344   45.850   4.5753   4.3221   0.0000   0.0000   4.5753   4.3221  ?   ?   122.344   45.850      ?      ? 
1 1 1    9   30   15 o  143.083   39.446   6.4619   3.9326   10.674   8.7557   5.3974   4.4015  159.678   63.745  126.488   46.483 33.19071 78.89245 
1 1 1    9   30   17 o  112.665   47.591   3.4377   5.2528   0.0000   0.0000   3.4377   5.2528  ?   ?   112.665   47.591      ?      ? 
1 1 1    9   30   19 o   55.653   26.933  -3.3041   2.6211   0.0000   0.0000  -3.3041   2.6211  ?   ?    55.653   26.933      ?      ? 
1 1 1    9   30   21 o  141.473   41.075   9.2067   5.3420   25.792   9.4826   1.4961   6.4656  185.456   68.215   97.491   45.774 87.96417 82.14973 
1 1 1    9   30   23 o   94.924   31.019   3.4035   3.7935   2.1079   4.7596   5.6598   6.2811   87.842   40.572  102.006   46.932 -14.16463 62.03787 
1 1 1    9   31    0 o  396.607   20.808   46.739   6.5715   46.739   6.5715   46.739   6.5715  396.607   29.427  396.607   29.427 0.000000 0.000000 
1 1 1    9   31    2 o  527.535   27.092   86.539   8.1505   87.209   11.556   85.875   11.497  529.630   38.260  525.441   38.369 4.188538 54.18471 
1 1 1    9   31    4 o  266.579   21.829   19.526   3.1574   29.133   5.6029   15.056   3.8221  309.759   31.717  223.400   30.000 86.35887 43.65760 
1 1 1    9   31    6 o  173.696   29.528   10.009   2.8937   10.841   3.9830   9.0797   4.2113  182.648   39.396  164.745   43.995 17.90312 59.05575 
1 1 1    9   31    8 o  134.625   36.993   4.5447   3.4410   8.0729   7.5689   3.6254   3.8634  154.965   60.037  114.285   43.237 40.67998 73.98608 
1 1 1    9   31   10 o  168.224   31.321   11.480   4.0400  -4.2154   8.3207   16.322   4.6213  109.260   51.495  227.188   35.669 -117.9276 62.64180 
1 1 1    9   31   12 o  154.082   39.134   8.7922   4.0399   8.1954   8.8723   8.9483   4.5376  150.611   62.610  157.554   46.966 -6.943054 78.26792 
1 1 1    9   31   14 o  132.271   53.041   6.1791   6.0915   0.0000   0.0000   6.1791   6.0915  ?   ?   132.271   53.041      ?      ? 
1 1 1    9   31   16 o  120.589   47.515   5.2904   4.8065   0.0000   0.0000   5.2904   4.8065  ?   ?   120.589   47.515      ?      ? 
1 1 1    9   31   18 f   64.730   30.929  -2.7190   3.2097   0.0000   0.0000  -2.7190   3.2097  ?   ?    64.730   30.929      ?      ? 
1 1 1    9   31   20 o  118.044   34.019   5.6816   2.7297   10.920   9.0211   5.1536   2.8639  123.379   56.572  112.710   37.798 10.66907 68.03751 
1 1 1    9   31   22 o   90.346   31.179   0.5366   3.7157   10.914   8.8638  -1.6759   4.0927  109.945   52.211   70.747   34.094 39.19774 62.35727 
1 1 1    9   32    1 o  132.306   28.938   3.6916   3.2436  -4.3477   4.6131   11.553   4.5617   79.518   37.734  185.094   43.883 -105.5759 57.87595 
1 1 1    9   32    3 o  180.898   40.137   11.608   5.1713   18.913   7.3633   4.4986   7.2643  226.490   57.040  135.307   56.484 91.18355 80.27486 
1 1 1    9   32    5 o  121.463   37.238   1.9066   4.8433  -0.4865   6.9368   4.1829   6.7653  112.107   50.702  130.819   54.552 -18.71149 74.47533 
1 1 1    9   32    7 o   87.623   28.774  -1.6134   3.1088  -7.4998   6.9159  -0.1228   3.4802   90.921   43.941   84.325   37.162 6.595695 57.54847 
1 1 1    9   32    9 f   99.479   31.978  -0.4571   3.0997   2.2975   7.1190  -1.1015   3.4433  120.828   53.205   78.130   35.489 42.69873 63.95525 
1 1 1    9   32   11 o  101.285   32.009   0.6708   2.4433   4.4523   7.3293   0.1980   2.5915  127.644   55.118   74.926   32.564 52.71768 64.01876 
1 1 1    9   32   13 f  159.752   30.511   9.5152   2.8837   11.066   4.0354   7.8973   4.1222  175.286   41.085  144.218   45.118 31.06808 61.02137 
1 1 1    9   32   15 o   96.900   41.601   2.1531   4.1288   0.0000   0.0000   2.1531   4.1288  ?   ?    96.900   41.601      ?      ? 
1 1 1    9   32   17 f  114.317   35.021   5.3029   3.8027   5.6877   8.7904   5.2144   4.2177  116.032   54.118  112.602   44.465 3.430290 70.04212 
1 1 1    9   32   19 o   96.930   29.250   3.2898   2.5513   5.3182   5.1179   2.6191   2.9430  105.978   45.910   87.882   36.256 18.09595 58.50000 
1 1 1    9   32   21 o  105.141   34.287   5.3065   3.6033   17.595   9.0194   2.9727   3.9306  122.972   56.453   87.311   38.928 35.66129 68.57341 
1 1 1    9   33    0 o  412.023   20.776   51.076   6.8232   51.076   6.8232   51.076   6.8232  412.023   29.382  412.023   29.382 0.000000 0.000000 
1 1 1    9   33    2 o  332.825   22.472   34.647   4.2649   35.279   6.0590   34.025   6.0044  335.982   31.622  329.668   31.937 6.314026 44.94410 
1 1 1    9   33    4 o  136.199   32.123   5.5034   3.0110   2.6413   3.7911   10.393   4.9553  104.048   41.801  168.350   48.787 -64.30232 64.24506 
1 1 1    9   33    6 o  149.464   41.756   8.6280   5.2631   9.1410   7.4940   8.1287   7.3933  152.163   59.520  146.764   58.580 5.398895 83.51200 
1 1 1    9   33    8 o  170.707   38.014   11.123   3.7483   13.098   7.8985   10.549   4.2584  170.401   62.321  171.014   43.547 -0.6127777 76.02790 
1 1 1    9   33   10 o  135.066   22.981   7.6061   2.1321  -0.5585   4.2819   10.298   2.4585   86.818   39.489  183.313   23.517 -96.49475 45.96179 
1 1 1    9   33   12 o  146.225   38.756   7.7563   3.5945   15.189   8.3606   6.0709   3.9813  166.931   63.497  125.519   44.455 41.41251 77.51178 
1 1 1    9   33   14 o  135.366   48.171   8.1167   4.6801   0.0000   0.0000   8.1167   4.6801  ?   ?   135.366   48.171      ?      ? 
1 1 1    9   33   16 o  115.213   45.504   6.0525   4.4179   0.0000   0.0000   6.0525   4.4179  ?   ?   115.213   45.504      ?      ? 
1 1 1    9   33   18 o   86.610   29.007   1.3109   3.2302  -0.6624   8.5027   1.6438   3.4920   91.006   44.954   82.214   36.672 8.791733 58.01419 
1 1 1    9   33   20 o   84.524   28.654   1.9680   3.1375   4.3697   8.6815   1.6072   3.3649   91.540   45.256   77.508   35.159 14.03180 57.30851 
1 1 1    9   34    1 f  292.391   24.569   27.979   4.0813   25.655   5.7915   30.272   5.7523  278.405   36.477  306.377   32.923 -27.97263 49.13734 
1 1 1    9   34    3 o  405.826   27.489   57.078   5.7740   60.214   7.0568   50.726   10.043  438.345   28.229  373.306   47.177 65.03888 54.97731 
1 1 1    9   34    5 o  409.867   26.196   55.457   5.6016   59.145   10.201   53.864   6.7025  406.559   43.997  413.175   28.445 -6.616180 52.39143 
1 1 1    9   34    7 o  175.099   41.285   13.933   5.5187   22.289   7.8842   5.9062   7.7273  221.617   60.628  128.581   56.053 93.03526 82.56910 
1 1 1    9   34    9 f  109.411   32.426   2.9399   3.9489  -5.8470   7.1330   6.8231   4.7419   89.212   43.463  129.609   48.133 -40.39710 64.85202 
1 1 1    9   34   11 o  187.684   34.725   15.985   3.5874   14.431   8.1402   16.359   3.9964  155.743   61.686  219.624   31.908 -63.88058 69.45020 
1 1 1    9   34   13 o   78.258   36.623  -0.9447   4.0811   0.0000   0.0000  -0.9447   4.0811  ?   ?    78.258   36.623      ?      ? 
1 1 1    9   34   15 o   85.976   28.420   0.2834   3.6557 -10.1301   8.1105   2.9385   4.0954   78.855   39.689   93.097   40.689 -14.24240 56.84024 
1 1 1    9   34   17 o   93.343   42.277   3.8095   4.8436   0.0000   0.0000   3.8095   4.8436  ?   ?    93.343   42.277      ?      ? 
1 1 1    9   35    0 o  191.048   38.104   14.358   5.0837   14.358   5.0837   14.358   5.0837  191.048   53.888  191.048   53.888 -0.000000 0.000000 
1 1 1    9   35    2 o  151.655   34.446   9.5350   3.4058   8.4151   4.8481   10.626   4.7854  142.163   49.148  161.147   48.276 -18.98425 68.89191 
1 1 1    9   35    4 o  107.902   32.299   3.4767   3.1064   2.9883   6.6725   3.6118   3.5100  111.388   50.110  104.415   40.764 6.972420 64.59713 
1 1 1    9   35    6 o  150.478   38.458   9.5290   3.8884   15.410   7.3809   7.2698   4.5747  169.685   60.483  131.271   47.517 38.41382 76.91602 
1 1 1    9   35    8 o  137.800   35.010   9.2003   3.7000   6.0894   7.5895   10.170   4.2376  119.349   53.589  156.251   45.068 -36.90150 70.02080 
1 1 1    9   35   10 o  127.179   28.693   5.6674   2.3054   10.443   4.1011   3.4611   2.7875  156.727   44.052   97.632   36.776 59.09499 57.38525 
1 1 1    9   35   12 o   81.263   40.510  -7.0770   7.5411   0.0000   0.0000  -7.0770   7.5411  ?   ?    81.263   40.510      ?      ? 
1 1 1    9   35   14 o   92.026   26.707   0.9892   2.9977  -8.7053   4.6673   7.7968   3.9111   60.068   30.217  123.984   44.045 -63.91681 53.41425 
1 1 1    9   35   16 o   70.926   25.030  -3.3891   3.5741  -7.2613   8.0278  -2.4318   3.9915   75.575   38.214   66.277   32.338 9.298027 50.06047 
1 1 1    9   36    1 o   83.100   26.079  -0.8038   2.3253  -3.0192   2.7752   4.4164   4.2600   58.104   28.020  108.097   43.994 -49.99296 52.15881 
1 1 1    9   36    3 o   82.660   27.749  -1.5920   3.4634  -4.6410   6.2204  -0.2221   4.1694   82.729   40.366   82.592   38.086 0.1377563 55.49767 
1 1 1    9   36    5 o  151.263   37.967   9.6980   3.8836   20.224   7.3705   5.6521   4.5694  188.343   60.502  114.184   45.885 74.15882 75.93362 
1 1 1    9   36    7 o  172.663   36.884   12.251   3.2660   21.719   7.7311   10.194   3.6033  186.274   62.100  159.051   39.817 27.22342 73.76900 
1 1 1    9   36    9 o   98.758   31.749   0.6230   3.1057   11.579   6.9020  -2.1583   3.4776  130.664   54.838   66.853   32.011 63.81156 63.49762 
1 1 1    9   36   11 o  111.214   52.266   9.5930   8.4628   0.0000   0.0000   9.5930   8.4628  ?   ?   111.214   52.266      ?      ? 
1 1 1    9   36   13 o   90.422   30.589   2.7125   4.0438   7.0330   7.4912   0.9359   4.8038   99.839   47.579   81.004   38.459 18.83525 61.17846 
1 1 1    9   37    0 o   65.549   30.903   0.7423   4.4398   0.7423   4.4398   0.7423   4.4398   65.549   43.704   65.549   43.704 0.000000 0.000000 
1 1 1    9   37    2 o  110.926   31.482   5.5458   3.2227   2.5476   4.5774   8.4927   4.5380   92.753   41.634  129.099   47.235 -36.34641 62.96445 
1 1 1    9   37    4 o   85.021   28.735  -0.3935   3.4189   2.9856   6.5373  -1.6657   4.0113   97.513   45.862   72.528   34.633 24.98502 57.46993 
1 1 1    9   37    6 o   92.582   28.304   2.9200   2.7132   1.3649   3.5251   5.1803   4.2498   81.108   36.462  104.056   43.301 -22.94760 56.60743 
1 1 1    9   37    8 o  117.482   31.475   8.3951   3.5354   1.8440   7.5058   10.263   4.0078   91.551   44.598  143.412   44.426 -51.86040 62.94994 
1 1 1    9   37   10 o   69.372   33.416  -1.3588   3.9202   0.0000   0.0000  -1.3588   3.9202  ?   ?    69.372   33.416      ?      ? 
1 1 1    9   38    1 o  182.887   34.835   17.981   3.7685   15.683   5.3231   20.290   5.3358  163.696   51.281  202.079   47.161 -38.38332 69.66973 
1 1 1    9   38    3 o  110.611   34.238   7.9152   3.8925   11.462   7.0011   6.3286   4.6829  116.510   51.950  104.712   44.612 11.79820 68.47699 
1 1 1    9   38    5 o  108.341   29.506   6.2087   3.7269  -8.5235   7.1565   11.691   4.3655   71.746   36.254  144.937   46.563 -73.19099 59.01289 
1 1 1    9   38    7 o   78.493   36.962   1.2441   4.2700   0.0000   0.0000   1.2441   4.2700  ?   ?    78.493   36.962      ?      ? 
1 1 1   10    0    2 o  250.902   25.574   19.104   4.8626   19.104   4.8626   19.104   4.8626  250.902   36.167  250.902   36.167 0.000000 0.000000 
1 1 1   10    0    4 o  1475.21   16.272  622.169   19.350  622.169   19.350  622.169   19.350  1475.21   23.013  1475.21   23.013 -0.000000 0.000000 
1 1 1   10    0    6 o   47.659   20.997   0.3979   1.6373   0.3979   1.6373   0.3979   1.6373   47.659   29.694   47.659   29.694 -0.000000 0.000000 
1 1 1   10    0    8 f  910.234   22.367  238.206   16.375  238.206   16.375  238.206   16.375  910.234   31.631  910.234   31.631 -0.000000 0.000000 
1 1 1   10    0   10 o  946.148   15.872  256.332   12.096  256.332   12.096  256.332   12.096  946.148   22.446  946.148   22.446 -0.000000 0.000000 
1 1 1   10    0   12 o  385.221   9.8977   42.520   3.0658   42.520   3.0658   42.520   3.0658  385.221   13.998  385.221   13.998 -0.000000 0.000000 
1 1 1   10    0   14 o  1215.62   12.889  422.236   12.630  422.236   12.630  422.236   12.630  1215.62   18.227  1215.62   18.227 0.000000 0.000000 
1 1 1   10    0   16 o  1024.93   13.169  300.192   10.878  300.192   10.878  300.192   10.878  1024.93   18.624  1024.93   18.624 -0.000000 0.000000 
1 1 1   10    0   18 o   42.012   19.863  -0.6684   1.8572  -0.6684   1.8572  -0.6684   1.8572   42.012   28.091   42.012   28.091 0.000000 0.000000 
1 1 1   10    0   20 o  948.193   12.923  256.957   9.8745  256.957   9.8745  256.957   9.8745  948.193   18.276  948.193   18.276 0.000000 0.000000 
1 1 1   10    0   22 o  883.206   17.738  223.646   12.612  223.646   12.612  223.646   12.612  883.206   25.086  883.206   25.086 -0.000000 0.000000 
1 1 1   10    0   24 o  225.059   16.727   14.970   2.9594   14.970   2.9594   14.970   2.9594  225.059   23.656  225.059   23.656 0.000000 0.000000 
1 1 1   10    0   26 o  294.372   15.732   25.253   3.6860   25.253   3.6860   25.253   3.6860  294.372   22.249  294.372   22.249 -0.000000 0.000000 
1 1 1   10    0   28 o  190.500   20.838   11.192   2.9734   11.192   2.9734   11.192   2.9734  190.500   29.469  190.500   29.469 0.000000 0.000000 
1 1 1   10    0   30 f  111.895   35.056   5.4094   3.3363   5.4094   3.3363   5.4094   3.3363  111.895   49.577  111.895   49.577 0.000000 0.000000 
1 1 1   10    0   32 o   53.115   25.532  -1.4702   3.3207  -1.4702   3.3207  -1.4702   3.3207   53.115   36.108   53.115   36.108 -0.000000 0.000000 
1 1 1   10    0   34 o  116.513   40.353   6.8884   4.4961   6.8884   4.4961   6.8884   4.4961  116.513   57.068  116.513   57.068 0.000000 0.000000 
1 1 1   10    0   36 o   82.508   32.891   3.6450   3.3395   3.6450   3.3395   3.6450   3.3395   82.508   46.515   82.508   46.515 0.000000 0.000000 
1 1 1   10    0   38 o   44.449   22.108  -2.0383   3.0866  -2.0383   3.0866  -2.0383   3.0866   44.449   31.266   44.449   31.266 -0.000000 0.000000 
1 1 1   10    1    1 o  833.571   30.570  199.321   14.532  199.321   14.532   0.0000   0.0000  833.571   30.570  ?   ?       ?      ? 
1 1 1   10    1    3 o  889.393   21.724  226.285   11.019  226.285   11.019   0.0000   0.0000  889.393   21.724  ?   ?       ?      ? 
1 1 1   10    1    5 o  728.887   19.510  151.668   7.8074  149.766   9.7681  155.031   12.991  723.155   23.686  734.618   31.010 -11.46301 39.02084 
1 1 1   10    1    7 o  992.080   19.101  282.143   10.070  281.593   12.197  283.321   17.847  991.717   21.566  992.443   31.532 -0.7258301 38.20216 
1 1 1   10    1    9 o  620.665   15.963  110.394   5.6501  109.762   7.9895  111.027   7.9914  618.879   22.637  622.451   22.513 -3.572021 31.92572 
1 1 1   10    1   11 o  502.652   14.517   74.037   3.8737   67.567   6.7053   77.278   4.7457  485.374   24.224  519.930   16.005 -34.55606 29.03395 
1 1 1   10    1   13 o  223.415   11.570   14.263   1.4700   15.740   2.1080   12.866   2.0509  234.688   15.750  212.142   16.952 22.54605 23.13953 
1 1 1   10    1   15 o  352.144   13.192   36.126   2.4474   37.288   2.9692   33.661   4.3225  361.338   14.409  342.949   22.101 18.38849 26.38311 
1 1 1   10    1   17 f  1036.26   12.826  306.862   7.5757  306.384   10.887  307.311   10.549  1035.44   18.436  1037.08   17.836 -1.638306 25.65181 
1 1 1   10    1   19 o  409.044   22.406   48.020   5.2265   47.656   7.3534   48.393   7.4299  407.478   31.644  410.610   31.729 -3.131866 44.81192 
1 1 1   10    1   21 o  304.982   14.445   26.640   2.5017   26.905   3.3944   26.324   3.7013  306.698   19.407  303.265   21.401 3.433411 28.89051 
1 1 1   10    1   23 o  117.085   25.933   3.7466   2.0131   2.0319   2.7985   5.5853   2.8979   97.662   36.835  136.508   36.513 -38.84620 51.86534 
1 1 1   10    1   25 o  259.430   16.153   19.373   2.3856   19.581   3.2868   19.141   3.4679  260.977   22.084  257.884   23.580 3.093170 32.30682 
1 1 1   10    1   27 o  160.263   23.128   7.7124   2.0401   9.1559   3.0133   6.4907   2.7721  174.556   31.426  145.971   33.942 28.58453 46.25640 
1 1 1   10    1   29 o  162.611   27.481   8.3041   2.5159   7.5851   3.4895   9.0826   3.6308  155.090   39.381  170.131   38.340 -15.04071 54.96168 
1 1 1   10    1   31 f  363.226   16.888   39.007   3.4769   45.089   5.0465   33.511   4.7972  390.815   22.642  335.637   25.063 55.17838 33.77604 
1 1 1   10    1   33 o   70.326   22.951  -2.7735   2.2907  -6.1309   3.2908   0.3825   3.1905   57.383   28.273   83.269   36.161 -25.88634 45.90159 
1 1 1   10    1   35 o   80.635   26.268  -0.9230   2.7591  -1.9976   3.6335   0.5405   4.2404   72.589   34.156   88.682   39.917 -16.09293 52.53543 
1 1 1   10    1   37 f   80.139   25.879   0.8390   2.6520   1.6549   3.6703  -0.0524   3.8361   83.608   37.423   76.670   35.756 6.938644 51.75893 
1 1 1   10    2    0 o  657.178   15.147  123.724   8.0088  123.724   8.0088  123.724   8.0088  657.178   21.421  657.178   21.421 -0.000000 0.000000 
1 1 1   10    2    2 o  1072.13   21.987  328.829   13.443  328.829   13.443   0.0000   0.0000  1072.13   21.987  ?   ?       ?      ? 
1 1 1   10    2    4 f  307.912   13.366   28.934   1.4349   24.852   4.2672   29.454   1.5236  294.510   25.407  321.313   8.3146 -26.80365 26.73292 
1 1 1   10    2    6 o  698.078   13.502  137.459   5.2531  130.832   6.6794  148.203   8.5052  676.518   17.313  719.638   20.724 -43.11945 27.00419 
1 1 1   10    2    8 f  1042.84   15.740  311.551   9.3608  310.577   13.198  312.537   13.279  1041.20   22.226  1044.47   22.294 -3.264404 31.48042 
1 1 1   10    2   10 o  942.343   19.127  253.533   9.5839  250.865   11.590  259.301   17.042  935.766   21.719  948.919   31.491 -13.15320 38.25444 
1 1 1   10    2   12 o  1076.88   16.014  332.250   9.8309  319.669   13.831  345.097   13.977  1056.20   22.961  1097.55   22.330 -41.35010 32.02891 
1 1 1   10    2   14 o  1344.76   13.226  517.123   10.141  505.887   14.306  528.474   14.378  1330.04   18.861  1359.47   18.546 -29.43237 26.45131 
1 1 1   10    2   16 f  914.516   12.362  239.440   6.4050  234.724   9.5726  243.264   8.6184  906.229   18.523  922.803   16.377 -16.57385 24.72405 
1 1 1   10    2   18 o  219.910   34.532   13.893   4.3307   13.893   4.3307   0.0000   0.0000  219.910   34.532  ?   ?       ?      ? 
1 1 1   10    2   20 o  1122.29   19.454  360.247   10.586  362.798   21.770  359.457   12.114  1123.28   33.985  1121.31   18.944 1.963501 38.90820 
1 1 1   10    2   22 o  704.881   11.343  142.181   4.5307  140.741   6.7842  143.340   6.0871  701.551   16.957  708.212   15.071 -6.661011 22.68661 
1 1 1   10    2   24 f  227.074   21.206   15.113   2.6800   16.089   3.5024   13.735   4.1628  236.404   25.979  217.743   33.523 18.66049 42.41118 
1 1 1   10    2   26 o  254.611   22.562   20.215   2.9576   12.558   4.3264   26.933   4.0524  203.607   38.674  305.616   23.251 -102.0094 45.12500 
1 1 1   10    2   28 o  208.779   19.995   12.453   2.3462   11.008   3.0201   14.653   3.7259  194.064   27.288  223.493   29.233 -29.42859 39.99053 
1 1 1   10    2   30 o   66.109   21.748  -2.2097   1.9401  -1.6837   3.0562  -2.5647   2.5109   72.344   33.082   59.874   28.240 12.46957 43.49601 
1 1 1   10    2   32 o  138.088   27.658   6.2416   2.5674   2.2265   3.6981   9.9770   3.5670  101.661   41.129  174.515   36.990 -72.85435 55.31569 
1 1 1   10    2   34 o  140.885   33.349   7.4187   3.3805   3.9339   4.7078   11.128   4.8571  113.157   46.172  168.613   48.133 -55.45592 66.69867 
1 1 1   10    2   36 o  109.760   30.103   4.6530   2.7028   2.9568   3.5311   7.0528   4.2001   94.784   39.459  124.735   45.472 -29.95112 60.20507 
1 1 1   10    2   38 o   75.000   26.055  -1.9393   3.8377  -1.7808   5.7491  -2.0667   5.1542   76.483   37.623   73.516   36.054 2.967560 52.10963 
1 1 1   10    3    1 o  956.961   18.584  259.141   9.6174  272.463   16.654  252.475   11.780  974.508   29.966  939.413   21.989 35.09485 37.16831 
1 1 1   10    3    3 o  795.146   21.483  180.895   9.7415  180.895   9.7415   0.0000   0.0000  795.146   21.483  ?   ?       ?      ? 
1 1 1   10    3    5 o  762.950   18.486  164.830   7.6052  160.698   9.2893  173.230   13.245  749.278   21.739  776.622   29.905 -27.34454 36.97134 
1 1 1   10    3    7 o  123.418   23.121   4.5569   1.5723   4.2484   2.8506   4.6918   1.8849  121.372   37.445  125.464   27.133 -4.092461 46.24252 
1 1 1   10    3    9 o  504.695   11.462   72.904   3.2944   70.894   4.7458   74.773   4.5766  497.934   16.713  511.457   15.691 -13.52328 22.92415 
1 1 1   10    3   11 o  691.062   13.429  134.444   4.8813  131.068   5.8290  142.370   8.9309  677.224   15.093  704.899   22.216 -27.67578 26.85817 
1 1 1   10    3   13 o  713.618   10.716  145.281   4.3554  141.385   5.9819  149.676   6.3537  703.475   14.911  723.761   15.393 -20.28589 21.43101 
1 1 1   10    3   15 o  292.284   12.753   24.175   2.0946   23.078   2.7118   25.799   3.2978  284.190   16.733  300.378   19.252 -16.18747 25.50693 
1 1 1   10    3   17 o  630.244   12.104  113.096   4.2806  111.419   5.5569  115.545   6.7129  624.614   15.600  635.875   18.512 -11.26031 24.20832 
1 1 1   10    3   19 o  838.799   18.520  200.429   8.3925  205.005   14.469  198.109   10.303  845.376   30.012  832.222   21.708 13.15399 37.04012 
1 1 1   10    3   21 o  174.653   20.584   9.1018   1.9573   7.2539   2.8623   10.725   2.6826  155.856   33.219  193.451   24.316 -37.59482 41.16757 
1 1 1   10    3   23 o  292.798   15.016   24.100   2.4636   27.124   3.9465   22.169   3.1535  307.450   22.508  278.145   19.881 29.30475 30.03109 
1 1 1   10    3   25 o  265.592   20.990   20.560   3.1433   21.460   4.2011   19.414   4.7377  272.590   27.025  258.595   32.126 13.99472 41.98080 
1 1 1   10    3   27 o  161.023   31.115   8.6428   3.2714   12.095   4.0469   2.1322   5.5574  199.556   36.920  122.491   50.095 77.06452 62.23006 
1 1 1   10    3   29 o  238.831   19.183   16.541   2.5901   18.841   3.9974   14.877   3.4005  252.749   27.733  224.914   26.511 27.83490 38.36644 
1 1 1   10    3   31 o  302.678   17.017   26.839   2.9180   23.552   3.8846   31.097   4.4206  281.622   24.187  323.733   23.944 -42.11060 34.03442 
1 1 1   10    3   33 f  114.847   26.584   3.8883   2.3981   7.4069   3.2369  -0.3925   3.5704  147.093   38.235   82.600   36.945 64.49293 53.16788 
1 1 1   10    3   35 o   63.430   21.831  -4.2156   2.4749  -3.3194   3.1167  -5.7449   4.0715   61.820   29.782   65.041   31.927 -3.220360 43.66153 
1 1 1   10    3   37 o  103.073   32.945   5.4138   4.2060   3.7376   6.8596   6.4236   5.3243   97.839   46.308  108.306   46.872 -10.46712 65.88967 
1 1 1   10    4    0 o  582.269   15.224   97.230   7.1269   97.230   7.1269   97.230   7.1269  582.269   21.529  582.269   21.529 0.000000 0.000000 
1 1 1   10    4    2 o  1290.93   22.324  478.770   16.433  471.633   23.232  485.915   23.248  1281.23   31.796  1300.63   31.343 -19.39331 44.64734 
1 1 1   10    4    4 o  703.588   18.864  141.745   7.1642  141.294   8.8054  142.628   12.322  702.576   21.977  704.600   30.666 -2.023987 37.72765 
1 1 1   10    4    6 o  940.068   16.391  253.681   7.9921  254.365   9.5086  252.035   14.751  943.171   17.678  936.964   27.607 6.207214 32.78169 
1 1 1   10    4    8 o  253.628   18.126   19.224   2.4676   21.157   3.1104   15.942   4.0534  271.857   20.062  235.400   30.194 36.45605 36.25120 
1 1 1   10    4   10 o  330.862   15.284   31.738   2.4578   32.093   2.8253   30.635   4.9836  335.117   14.783  326.607   26.756 8.509460 30.56845 
1 1 1   10    4   12 o  854.046   13.786  208.647   6.6669  208.226   8.9096  209.184   10.050  853.240   18.310  854.852   20.615 -1.611572 27.57257 
1 1 1   10    4   14 o  463.982   14.705   61.840   3.3145   62.067   3.8015   61.119   6.7682  466.180   14.299  461.784   25.700 4.395721 29.41054 
1 1 1   10    4   16 o  833.675   13.066  198.612   6.2096  191.208   8.7292  206.197   8.8352  817.923   18.714  849.427   18.239 -31.50354 26.13174 
1 1 1   10    4   18 o  267.541   24.968   20.871   3.7471   22.809   5.0267   18.447   5.6214  281.950   31.262  253.132   38.941 28.81856 49.93676 
1 1 1   10    4   20 o  839.979   11.064  201.133   5.2885  207.777   7.7836  195.436   7.2076  852.800   16.004  827.157   15.280 25.64301 22.12701 
1 1 1   10    4   22 o  473.535   11.127   64.184   2.9994   62.579   4.3406   65.650   4.1495  467.823   16.270  479.247   15.183 -11.42401 22.25330 
1 1 1   10    4   24 f  135.762   26.999   5.6015   2.1502   4.7607   3.5699   6.0801   2.6935  129.473   42.153  142.051   33.749 -12.57832 53.99893 
1 1 1   10    4   26 o  305.091   27.973   27.198   4.8407   23.705   6.5376   31.437   7.2022  283.368   40.455  326.815   38.643 -43.44681 55.94548 
1 1 1   10    4   28 o  308.256   21.231   29.639   3.3642   32.550   4.1022   23.660   5.8793  335.121   21.465  281.391   36.637 53.72964 42.46191 
1 1 1   10    4   30 o  134.238   28.694   5.6610   2.4214   4.2854   3.3479   7.1698   3.5062  119.468   40.863  149.008   40.293 -29.53928 57.38713 
1 1 1   10    4   32 o  119.469   26.787   4.6456   2.0458   4.7350   2.9816   4.5661   2.8123  120.441   38.459  118.497   37.298 1.944145 53.57447 
1 1 1   10    4   34 o   89.171   27.562  -1.0111   2.9378  -5.5951   4.0570   4.0427   4.2598   66.617   32.525  111.725   44.506 -45.10832 55.12443 
1 1 1   10    4   36 o  142.574   35.284   10.258   3.5318   10.156   4.6131   10.403   5.4901  145.793   47.940  139.354   51.783 6.439072 70.56745 
1 1 1   10    4   38 o   52.844   18.513  -4.0408   2.0604  -4.0637   2.7217  -4.0100   3.1535   50.584   25.068   55.104   27.249 -4.519360 37.02557 
1 1 1   10    5    1 o  640.127   15.209  117.266   5.5520  115.997   7.8526  118.533   7.8509  636.654   21.628  643.600   21.390 -6.945862 30.41883 
1 1 1   10    5    5 o  521.198   14.046   77.823   4.1003   78.234   5.3276   77.226   6.4219  523.061   17.860  519.335   21.683 3.725586 28.09184 
1 1 1   10    5    7 o  404.480   17.530   47.533   2.6581   47.736   2.8425   46.122   7.5007  408.864   12.191  400.096   32.873 8.768250 35.06098 
1 1 1   10    5    9 o  281.289   17.504   23.236   2.6338   24.368   3.2544   21.086   4.4841  291.780   19.558  270.797   29.036 20.98282 35.00878 
1 1 1   10    5   11 o  611.772   12.049  106.734   4.1975   99.321   5.7831  114.987   6.1019  589.366   17.206  634.179   16.872 -44.81238 24.09794 
1 1 1   10    5   13 o  1097.27   14.758  343.840   9.0022  341.362   11.492  347.775   14.482  1092.60   18.444  1101.94   23.045 -9.341675 29.51685 
1 1 1   10    5   15 o  209.576   16.377   12.612   1.9458   12.154   2.8825   12.996   2.6375  206.017   24.534  213.136   21.699 -7.119370 32.75302 
1 1 1   10    5   17 o  611.045   12.340  107.950   4.1793  100.925   6.6343  112.571   5.3813  594.215   19.578  627.876   15.029 -33.66119 24.68091 
1 1 1   10    5   19 o  728.809   18.620  152.615   7.3047  150.870   12.580  153.502   8.9721  725.075   30.424  732.543   21.477 -7.467957 37.24096 
1 1 1   10    5   21 o  436.026   12.240   54.139   2.9995   55.637   4.6837   53.097   3.9055  441.027   18.622  431.025   15.888 10.00146 24.47903 
1 1 1   10    5   23 f  282.663   14.408   22.943   2.3048   26.700   3.3093   19.403   3.2119  305.272   19.009  260.054   21.657 45.21771 28.81610 
1 1 1   10    5   25 o   86.241   25.317   0.4157   1.9675   1.5189   3.3410  -0.1700   2.4344   98.551   39.365   73.931   31.845 24.61967 50.63340 
1 1 1   10    5   27 o  163.703   30.917   8.2238   2.8496   8.6440   4.8111   7.9967   3.5367  166.464   48.023  160.943   38.952 5.520493 61.83437 
1 1 1   10    5   29 o  390.639   17.896   41.909   3.5841   38.482   4.1604   51.772   7.0579  363.877   20.049  417.401   29.650 -53.52411 35.79236 
1 1 1   10    5   31 o  110.079   28.462   3.3166   2.4171   1.6343   3.4998   4.8509   3.3423   96.734   39.679  123.424   40.817 -26.68993 56.92492 
1 1 1   10    5   33 o   71.332   23.436  -1.8700   2.2821  -1.9697   3.0708  -1.7469   3.4107   68.766   32.044   73.897   34.207 -5.131073 46.87112 
1 1 1   10    5   35 o  101.238   31.715   2.1993   3.6392   4.6411   5.4554   0.2415   4.8850  112.198   47.985   90.278   41.481 21.91985 63.42905 
1 1 1   10    5   37 o   76.773   24.543   0.7804   2.3758  -1.1962   3.6469   2.2378   3.1315   69.968   33.303   83.578   36.059 -13.61000 49.08513 
1 1 1   10    6    0 o   95.050   26.798   3.5758   1.9880   3.5758   1.9880   3.5758   1.9880   95.050   37.899   95.050   37.899 -0.000000 0.000000 
1 1 1   10    6    4 o  563.343   15.189   90.869   4.8795   89.792   6.8983   91.947   6.9029  559.990   21.601  566.697   21.359 -6.707520 30.37786 
1 1 1   10    6    6 o  619.689   12.235  109.730   4.3219  112.601   6.2275  107.063   6.0028  627.491   17.403  611.886   17.202 15.60413 24.46983 
1 1 1   10    6    8 o  582.982   18.101   97.606   5.1933   97.665   5.9895   97.427   10.424  584.301   17.975  581.663   31.426 2.637634 36.20287 
1 1 1   10    6   10 o  998.438   18.222  281.036   9.0228  276.003   10.400  296.358   18.146  982.208   18.566  1014.67   31.360 -32.45837 36.44347 
1 1 1   10    6   12 o  765.750   15.160  167.905   6.5489  168.152   8.6546  167.574   10.017  766.632   19.796  764.868   22.965 1.764038 30.31929 
1 1 1   10    6   14 o  542.808   12.389   84.534   3.8018   86.900   5.0942   81.558   5.7119  551.508   16.197  534.109   18.752 17.39905 24.77891 
1 1 1   10    6   16 o  977.494   13.899  275.148   7.6558  258.391   11.554  288.266   10.222  950.552   21.313  1004.44   17.845 -53.88379 27.79775 
1 1 1   10    6   18 o  484.549   22.270   66.695   6.1111   61.877   8.0823   73.125   9.3377  464.424   30.516  504.674   32.444 -40.24969 44.54049 
1 1 1   10    6   20 o  831.203   11.168  197.461   5.2764  196.688   7.7770  198.120   7.1824  829.625   16.438  832.781   15.123 -3.155273 22.33623 
1 1 1   10    6   22 o  449.640   12.266   58.256   3.1019   60.589   4.1105   55.171   4.7275  460.311   15.658  438.969   18.885 21.34232 24.53188 
1 1 1   10    6   24 o  240.320   18.511   16.641   2.5348   15.736   3.5516   17.581   3.6189  233.614   26.658  247.027   25.689 -13.41241 37.02112 
1 1 1   10    6   26 o  200.475   30.125   13.118   3.1406   14.649   3.7670   9.6274   5.6875  224.449   29.429  176.502   52.574 47.94673 60.25048 
1 1 1   10    6   28 o  278.017   27.152   22.370   4.0197   33.830   6.4398   15.055   5.1451  337.095   33.499  218.939   42.741 118.1562 54.30435 
1 1 1   10    6   30 o  133.308   29.748   5.6836   2.5284   5.4588   3.5182   5.9238   3.6362  130.951   41.773  135.664   42.364 -4.713135 59.49525 
1 1 1   10    6   32 o  144.982   24.220   7.1534   2.2302   10.964   3.0222   2.5968   3.3047  189.083   28.027  100.881   39.507 88.20219 48.43921 
1 1 1   10    6   34 o  136.261   31.236   7.3286   2.8993   8.9383   3.8238   5.1515   4.4469  153.909   42.271  118.613   46.000 35.29572 62.47273 
1 1 1   10    6   36 o   88.700   27.010   2.1139   2.4737   3.6437   3.7465   0.9314   3.2938   97.847   40.682   79.553   35.541 18.29371 54.01970 
1 1 1   10    7    1 o  472.947   30.533   64.308   8.2352   0.0000   0.0000   64.308   8.2352  ?   ?   472.947   30.533      ?      ? 
1 1 1   10    7    3 o  218.824   22.666   13.783   2.8264   13.087   3.9714   14.497   4.0235  213.188   32.665  224.461   31.432 -11.27316 45.33204 
1 1 1   10    7    5 o  954.437   15.345  260.936   8.3525  261.383   11.816  260.489   11.808  955.257   21.690  953.618   21.713 1.638550 30.69072 
1 1 1   10    7    7 o  877.876   12.996  220.113   6.4247  218.117   8.4265  222.886   9.9292  873.355   16.919  882.398   19.731 -9.042542 25.99158 
1 1 1   10    7    9 o  1010.82   18.066  290.736   8.9733  288.357   10.319  298.117   18.174  1004.02   18.021  1017.62   31.316 -13.59790 36.13157 
1 1 1   10    7   11 o  894.423   19.824  229.247   9.5131  228.350   11.620  231.071   16.567  892.822   22.821  896.024   32.422 -3.201782 39.64809 
1 1 1   10    7   13 o  1291.45   16.462  477.545   12.124  476.816   17.129  478.277   17.164  1290.46   23.275  1292.43   23.287 -1.972290 32.92382 
1 1 1   10    7   15 o  1080.35   14.739  333.360   8.8853  335.754   14.129  331.794   11.428  1083.23   22.871  1077.46   18.599 5.772339 29.47849 
1 1 1   10    7   17 f  583.769   32.555   97.828   10.838   0.0000   0.0000   97.828   10.838  ?   ?   583.769   32.555      ?      ? 
1 1 1   10    7   19 o  366.614   26.647   41.902   3.7367   34.514   9.8449   43.146   4.0390  344.718   50.079  388.510   18.230 -43.79260 53.29369 
1 1 1   10    7   21 f  286.854   13.436   23.553   2.1944   25.342   3.1285   21.820   3.0788  297.613   18.433  276.096   19.554 21.51678 26.87238 
1 1 1   10    7   23 o  147.232   22.938   6.8323   1.9293   3.8377   2.9530   9.0625   2.5484  116.983   38.350  177.481   25.178 -60.49802 45.87657 
1 1 1   10    7   25 o  447.397   14.214   57.544   3.6253   57.753   5.2039   57.346   5.0532  448.140   20.362  446.654   19.838 1.485657 28.42829 
1 1 1   10    7   27 o  228.457   20.064   15.080   2.5901   12.530   3.4743   18.271   3.8863  206.757   29.465  250.158   27.241 -43.40150 40.12854 
1 1 1   10    7   29 o  331.133   17.636   31.850   3.3010   29.099   4.3312   35.661   5.0988  314.646   24.138  347.620   25.720 -32.97467 35.27216 
1 1 1   10    7   31 o   91.052   25.892   0.4517   2.3192   3.9044   3.3122  -2.8695   3.2485  113.606   40.514   68.497   32.250 45.10846 51.78336 
1 1 1   10    7   33 f   94.531   31.010  -0.4728   3.5406   1.5447   3.7613 -16.1679   10.491   94.259   40.066   94.803   47.342 -0.5435944 62.02086 
1 1 1   10    7   35 o   66.596   21.206  -2.0086   1.9087  -5.8404   2.6778   1.9485   2.7212   48.177   24.036   85.014   34.944 -36.83661 42.41241 
1 1 1   10    7   37 o   77.916   24.670   0.8757   2.3664   3.5076   3.3829  -1.6463   3.3115   90.939   38.291   64.893   31.116 26.04616 49.33958 
1 1 1   10    8    0 o  107.816   35.151   4.8769   3.3608   4.8769   3.3608   4.8769   3.3608  107.816   49.712  107.816   49.712 0.000000 0.000000 
1 1 1   10    8    2 o  846.694   21.513  206.216   10.387  205.292   14.659  207.147   14.721  844.788   30.427  848.599   30.420 -3.810852 43.02533 
1 1 1   10    8    4 o  297.432   15.878   25.364   2.6910   26.508   3.8036   24.218   3.8079  304.185   21.926  290.680   22.971 13.50473 31.75533 
1 1 1   10    8    6 o  300.222   12.523   25.467   1.7101   26.307   3.8674   25.263   1.9067  302.981   22.383  297.463   11.240 5.517609 25.04630 
1 1 1   10    8    8 o  397.522   14.722   44.939   3.2878   43.510   4.2655   47.029   5.1607  389.922   19.182  405.121   22.337 -15.19937 29.44344 
1 1 1   10    8   10 o  814.016   16.684  189.838   7.7286  189.174   10.583  190.598   11.313  812.618   22.836  815.414   24.329 -2.796570 33.36752 
1 1 1   10    8   12 o  628.538   18.882  111.467   5.5568  110.127   6.2537  116.492   12.113  620.700   17.667  636.376   33.376 -15.67651 37.76349 
1 1 1   10    8   14 o  610.469   12.462  106.252   4.2790  107.916   6.6472  105.074   5.5917  614.439   18.970  606.500   16.167 7.939636 24.92421 
1 1 1   10    8   16 o  1234.28   16.483  435.917   11.599  434.297   16.568  437.474   16.245  1231.98   23.582  1236.58   23.035 -4.596069 32.96544 
1 1 1   10    8   18 o  624.633   32.743  112.084   11.664   0.0000   0.0000  112.084   11.664  ?   ?   624.633   32.743      ?      ? 
1 1 1   10    8   20 o  408.217   13.522   44.295   2.9229   39.276   3.4563   56.894   5.4763  370.685   16.350  445.749   21.543 -75.06393 27.04461 
1 1 1   10    8   22 o  312.240   14.268   27.681   2.5124   22.380   3.3914   34.128   3.7404  279.330   21.290  345.150   19.003 -65.81989 28.53697 
1 1 1   10    8   24 o  184.832   20.573   10.505   2.0170   7.5058   3.0128   12.942   2.7152  157.598   34.480  212.066   22.451 -54.46736 41.14534 
1 1 1   10    8   26 o  125.358   25.984   4.6655   2.1824   1.5625   3.2720   7.1519   2.9290   97.602   38.966  153.115   34.385 -55.51373 51.96837 
1 1 1   10    8   28 o  133.809   27.101   5.0759   2.2062   8.1741   3.5718   3.1649   2.8053  160.889   39.272  106.728   37.358 54.16162 54.20273 
1 1 1   10    8   30 o  188.224   35.239   12.300   3.9124   9.5597   5.5344   15.038   5.5316  165.677   52.344  210.771   47.195 -45.09389 70.47847 
1 1 1   10    8   32 o  104.921   29.476   2.8071   2.6767   3.8797   3.7009   1.6306   3.8759  112.530   42.377   97.312   40.981 15.21851 58.95143 
1 1 1   10    8   34 f  121.507   27.405   5.4175   2.4666   1.6327   3.6817   8.5000   3.3226   90.988   39.178  152.025   38.332 -61.03696 54.81089 
1 1 1   10    8   36 o   75.228   23.816   0.5083   2.0642   2.1051   3.2795  -0.5393   2.6564   85.023   36.791   65.433   30.253 19.58969 47.63245 
1 1 1   10    9    1 o  328.418   30.667   31.039   5.7436   31.039   5.7436   0.0000   0.0000  328.418   30.667  ?   ?       ?      ? 
1 1 1   10    9    3 o  689.862   15.094  136.323   5.9379  134.166   8.3915  138.486   8.4034  684.375   21.501  695.349   21.191 -10.97443 30.18876 
1 1 1   10    9    5 o  768.355   15.208  169.114   6.6637  170.064   9.4427  168.171   9.4051  770.508   21.490  766.201   21.524 4.306763 30.41531 
1 1 1   10    9    7 o  696.667   15.216  139.018   6.0453  138.827   8.5332  139.212   8.5656  696.189   21.493  697.146   21.545 -0.9571533 30.43208 
1 1 1   10    9    9 o  843.266   13.497  203.927   6.2438  205.270   7.8397  201.599   10.325  847.454   16.221  839.079   21.577 8.375366 26.99462 
1 1 1   10    9   11 o  538.303   12.515   83.381   3.7897   86.507   5.0197   79.237   5.7789  550.238   15.997  526.368   19.251 23.87054 25.03037 
1 1 1   10    9   13 o  156.446   36.600   6.6344   3.5810   6.4940   4.2765   6.9639   6.5507  149.630   45.815  163.262   57.090 -13.63156 73.20074 
1 1 1   10    9   15 o  666.587   17.116  127.604   6.4840  119.149   9.3471  135.447   9.0021  645.104   25.407  688.069   22.941 -42.96436 34.23193 
1 1 1   10    9   17 o  529.779   33.942   80.646   10.255   0.0000   0.0000   80.646   10.255  ?   ?   529.779   33.942      ?      ? 
1 1 1   10    9   19 o  148.780   29.668   6.5117   2.5798   6.3033   3.2991   6.8395   4.1387  145.288   39.000  152.273   44.718 -6.984940 59.33573 
1 1 1   10    9   21 o  582.094   10.449   96.927   3.4643   95.406   5.0016   98.329   4.8030  577.660   15.182  586.527   14.359 -8.867493 20.89725 
1 1 1   10    9   23 o  131.142   26.006   5.1801   2.0416   4.2710   3.0040   5.9605   2.7833  121.760   38.574  140.525   34.891 -18.76450 52.01273 
1 1 1   10    9   25 o  408.646   12.963   48.005   3.0114   47.600   4.4270   48.354   4.1085  406.914   19.077  410.379   17.555 -3.465027 25.92522 
1 1 1   10    9   27 o  239.638   17.170   16.872   2.3235   18.018   3.1481   15.502   3.4435  249.077   22.163  230.199   26.230 18.87823 34.33963 
1 1 1   10    9   29 o  268.418   18.527   21.564   2.7614   20.550   4.3714   22.236   3.5621  261.807   29.279  275.030   22.711 -13.22308 37.05424 
1 1 1   10    9   31 o  130.068   42.211   0.4906   7.1373   1.7667   9.9995  -0.8349   10.191  133.246   60.506  126.890   58.874 6.355980 84.42242 
1 1 1   10    9   33 o   88.113   24.500   1.0769   2.1300  -2.8433   3.1975   4.2042   2.8559   65.709   31.249  110.517   37.741 -44.80863 48.99932 
1 1 1   10    9   35 o   95.823   28.276   3.1054   2.5839   2.4982   3.6684   3.7033   3.6401   91.874   39.322   99.772   40.643 -7.898552 56.55165 
1 1 1   10    9   37 o   98.174   23.889   3.6726   2.2343  -2.5442   3.5026   7.9376   2.9012   62.439   30.427  133.908   36.837 -71.46910 47.77838 
1 1 1   10   10    0 o  818.873   21.509  192.874   14.161  192.874   14.161  192.874   14.161  818.873   30.419  818.873   30.419 0.000000 0.000000 
1 1 1   10   10    2 o  434.565   21.526   54.338   5.3314   51.747   7.4824   57.010   7.5983  423.978   30.946  445.152   29.931 -21.17429 43.05240 
1 1 1   10   10    4 o  463.449   15.489   61.537   4.0936   61.398   5.7666   61.679   5.8122  462.926   21.843  463.972   21.966 -1.045532 30.97794 
1 1 1   10   10    6 o  499.714   15.286   71.520   4.3559   72.576   6.1850   70.481   6.1357  503.380   21.545  496.049   21.689 7.331451 30.57165 
1 1 1   10   10    8 o  1116.58   15.441  357.023   9.8311  349.774   13.873  364.336   13.934  1105.15   22.012  1128.00   21.661 -22.84717 30.88201 
1 1 1   10   10   10 o  481.378   18.812   62.635   3.9791   60.604   4.3661   72.593   9.6676  460.503   16.625  502.252   33.752 -41.74844 37.62484 
1 1 1   10   10   12 o  540.396   20.889   81.000   6.1290   75.239   7.4751   92.816   10.706  512.478   25.577  568.313   33.033 -55.83490 41.77724 
1 1 1   10   10   14 o  589.096   15.294   99.021   5.0555   97.993   6.5700  100.513   7.9156  585.507   19.676  592.685   23.419 -7.177490 30.58761 
1 1 1   10   10   16 o  1239.66   32.137  441.147   22.719   0.0000   0.0000  441.147   22.719  ?   ?   1239.66   32.137      ?      ? 
1 1 1   10   10   18 o  632.846   14.728  114.513   5.2968  101.939   7.3675  127.965   7.6204  596.825   21.646  668.868   19.978 -72.04297 29.45612 
1 1 1   10   10   20 o  266.907   28.230   21.325   3.9541   19.692   6.6261   22.228   4.9276  256.024   47.119  277.790   31.104 -21.76611 56.45921 
1 1 1   10   10   22 o  238.339   14.981   16.335   2.0276   15.912   2.9864   16.697   2.7617  235.392   22.247  241.285   20.071 -5.892197 29.96227 
1 1 1   10   10   24 o  122.930   24.540   4.3972   1.9045   6.5802   2.7210   2.3007   2.6666  147.435   33.166   98.426   36.178 49.00861 49.07967 
1 1 1   10   10   26 o   96.238   24.378   1.4022   2.0190  -2.1061   2.9273   4.5855   2.7883   69.290   31.938  123.186   36.838 -53.89568 48.75579 
1 1 1   10   10   28 o  163.633   30.117   8.7027   2.8463   7.7763   4.1975   9.4912   3.8727  154.931   44.903  172.336   40.150 -17.40440 60.23499 
1 1 1   10   10   30 o  158.484   28.907   8.4015   2.6270   8.1354   3.8819   8.6264   3.5681  155.347   42.560  161.622   39.130 -6.274857 57.81438 
1 1 1   10   10   32 o  121.502   38.383  -2.2213   5.5258 -10.0187   6.8806   11.944   9.2738   82.784   40.807  160.219   65.022 -77.43521 76.76585 
1 1 1   10   10   34 o   89.056   26.520   1.6006   2.3776  -0.2769   3.2880   3.6584   3.4422   75.973   34.575  102.138   40.222 -26.16499 53.03944 
1 1 1   10   10   36 o   80.306   24.652   1.8489   2.0497   1.9073   3.3796   1.8148   2.5779   82.302   36.428   78.309   33.223 3.993515 49.30308 
1 1 1   10   11    1 o  415.142   21.776   49.599   5.1551   49.149   7.2398   50.061   7.3422  413.243   30.721  417.040   30.871 -3.797638 43.55215 
1 1 1   10   11    3 o  107.606   23.664   3.2870   1.6165   2.7160   2.2469   3.8996   2.3275  100.041   33.480  115.171   33.453 -15.13018 47.32853 
1 1 1   10   11    5 o  271.832   13.462   22.727   1.5847   23.687   1.7650   18.735   3.5987  288.066   10.744  255.597   24.689 32.46883 26.92496 
1 1 1   10   11    7 o  517.910   13.660   78.244   3.7365   80.925   4.5452   72.656   6.5627  532.204   14.975  503.616   22.850 28.58759 27.32012 
1 1 1   10   11    9 o  319.024   13.927   29.142   2.3086   29.188   2.7490   29.033   4.2521  319.653   15.080  318.394   23.418 1.259491 27.85338 
1 1 1   10   11   11 o  260.474   15.995   19.251   2.3585   16.243   3.1908   22.874   3.5018  238.196   23.489  282.752   21.717 -44.55598 31.99026 
1 1 1   10   11   13 o  625.082   15.920  111.606   5.5465  112.576   8.8514  110.979   7.1171  627.104   24.750  623.060   20.030 4.044250 31.83990 
1 1 1   10   11   15 o  778.089   18.876  173.027   8.3758   0.0000   0.0000  173.027   8.3758  ?   ?   778.089   18.876      ?      ? 
1 1 1   10   11   17 o  380.515   37.498   41.718   8.1372   0.0000   0.0000   41.718   8.1372  ?   ?   380.515   37.498      ?      ? 
1 1 1   10   11   19 o  482.792   20.561   67.680   5.6024   58.585   8.1077   75.991   7.7503  451.096   31.516  514.489   26.415 -63.39307 41.12231 
1 1 1   10   11   21 o  127.273   24.417   2.6895   2.4601  -3.4006   3.3067   10.239   3.6816   69.751   32.745  184.795   36.229 -115.0449 48.83416 
1 1 1   10   11   23 o  109.946   24.941   3.4367   1.8423   1.9441   2.7852   4.5978   2.4566   96.249   36.640  123.643   33.849 -27.39397 49.88209 
1 1 1   10   11   25 o   74.861   22.729  -0.1574   1.7772  -1.9519   2.9400   0.8759   2.2309   70.435   32.296   79.287   31.991 -8.851181 45.45828 
1 1 1   10   11   27 o  149.440   28.258   6.9445   2.4607   5.7324   3.3013   8.4599   3.6913  135.435   39.986  163.444   39.941 -28.00922 56.51659 
1 1 1   10   11   29 o  223.485   20.902   15.136   2.6473   15.442   3.5777   14.765   3.9356  226.780   27.664  220.191   31.341 6.588989 41.80375 
1 1 1   10   11   31 o  119.344   36.479   3.1624   4.2123   4.4217   4.6666  -2.3778   9.7878  120.321   46.995  118.368   55.807 1.952721 72.95836 
1 1 1   10   11   33 o  116.199   31.109   5.0122   2.8232   5.3788   4.1541   4.6976   3.8485  118.883   44.869  113.515   43.104 5.367714 62.21846 
1 1 1   10   11   35 o   91.124   25.671   2.3556   2.3903  -2.2661   3.7576   5.4971   3.0979   68.883   33.060  113.366   39.282 -44.48380 51.34217 
1 1 1   10   12    2 o  941.952   21.673  255.276   11.638  263.488   16.463  247.073   16.454  957.228   30.158  926.676   31.134 30.55231 43.34583 
1 1 1   10   12    4 o  750.573   15.246  161.314   6.5258  161.887   9.2372  160.744   9.2206  751.905   21.542  749.240   21.580 2.664734 30.49146 
1 1 1   10   12    6 o  603.775   19.300  102.397   6.1698  110.553   11.199   98.843   7.3930  620.009   31.673  587.542   22.064 32.46722 38.60035 
1 1 1   10   12    8 o  463.861   13.288   62.025   3.0847   60.474   6.0048   62.581   3.5953  459.578   22.911  468.145   13.467 -8.566315 26.57579 
1 1 1   10   12   10 o  678.195   13.198  131.129   4.9417  130.098   6.2379  132.867   8.0979  674.832   16.209  681.559   20.834 -6.726685 26.39664 
1 1 1   10   12   12 o  102.782   31.116   0.2883   2.7197   0.3304   3.0571   0.1288   5.9557   87.089   36.521  118.475   50.389 -31.38526 62.23210 
1 1 1   10   12   14 o  703.042   24.988  142.014   10.004  142.927   14.559  141.198   13.771  705.043   36.209  701.041   34.444 4.001282 49.97523 
1 1 1   10   12   16 o  581.833   33.616   97.317   11.154   0.0000   0.0000   97.317   11.154  ?   ?   581.833   33.616      ?      ? 
1 1 1   10   12   18 o  869.549   17.685  217.693   8.7266  206.504   12.790  227.438   11.937  848.270   26.439  890.829   23.496 -42.55853 35.37068 
1 1 1   10   12   20 o  332.667   20.024   30.258   3.5396   27.696   4.2159   36.379   6.5160  310.520   23.807  354.814   32.202 -44.29391 40.04718 
1 1 1   10   12   22 o  115.654   33.542   1.2920   3.2821   3.1227   5.9996   0.5102   3.9208  133.168   52.891   98.139   41.267 35.02950 67.08501 
1 1 1   10   12   24 o  178.683   23.354   10.033   2.2375   12.171   2.9452   7.1149   3.4409  205.041   25.187  152.326   39.336 52.71561 46.70872 
1 1 1   10   12   26 o  120.486   28.220   4.1269   2.1569   4.7714   3.7729   3.8140   2.6288  127.699   43.381  113.274   36.106 14.42453 56.44027 
1 1 1   10   12   28 o  232.082   20.177   16.108   2.6688   15.435   3.7012   16.836   3.8518  227.022   28.588  237.141   28.482 -10.11969 40.35411 
1 1 1   10   12   30 o   96.766   28.193   1.6908   2.4407   2.3487   4.0051   1.3021   3.0783  104.227   42.565   89.305   36.982 14.92168 56.38595 
1 1 1   10   12   32 o   82.062   27.743  -4.6379   3.6728  -7.8900   4.9994  -0.8247   5.4136   70.393   34.715   93.732   43.285 -23.33953 55.48609 
1 1 1   10   12   34 o   86.921   26.896   1.1138   2.3824   4.0176   4.2130  -0.2514   2.8887  102.900   42.991   70.942   32.332 31.95857 53.79227 
1 1 1   10   12   36 o  106.324   26.565   5.2394   2.7045  -1.7492   4.3951   9.4981   3.4309   70.903   34.446  141.745   40.451 -70.84201 53.12983 
1 1 1   10   13    1 o  150.760   27.900   6.8348   2.4622   8.3264   3.4331   5.2548   3.5332  166.665   37.077  134.855   41.702 31.81064 55.80098 
1 1 1   10   13    3 o  704.360   21.749  142.771   8.7266  147.417   12.199  137.902   12.489  716.270   29.864  692.450   31.626 23.82037 43.49747 
1 1 1   10   13    5 o  812.849   14.511  189.022   6.6756  189.381   10.084  188.742   8.9069  813.362   21.739  812.335   19.226 1.027161 29.02154 
1 1 1   10   13    7 o  353.804   17.080   35.844   3.4455   36.900   4.9107   34.821   4.8354  358.944   23.990  348.664   24.318 10.28012 34.15972 
1 1 1   10   13    9 o  397.146   16.813   45.182   3.8051   43.414   5.4016   46.924   5.3611  389.392   24.324  404.900   23.217 -15.50827 33.62621 
1 1 1   10   13   11 o  577.906   20.234   93.670   6.2050   90.294   7.4469  101.336   11.222  561.755   23.245  594.057   33.125 -32.30237 40.46711 
1 1 1   10   13   13 o  1067.91   20.078  321.999   11.433  340.511   20.385  313.503   13.810  1089.05   32.822  1046.77   23.134 42.28503 40.15577 
1 1 1   10   13   17 f  617.735   18.189  109.207   6.4006  115.156   9.3169  103.891   8.8081  633.622   25.784  601.849   25.663 31.77386 36.37830 
1 1 1   10   13   19 o  554.236   14.716   87.525   4.5438   90.477   7.3026   85.660   5.8042  561.525   22.804  546.948   18.608 14.57690 29.43282 
1 1 1   10   13   21 f  630.784   17.879  115.104   5.8704  113.340   10.736  115.856   7.0113  626.016   30.073  635.551   19.344 -9.535095 35.75713 
1 1 1   10   13   23 f  392.676   33.100   46.154   7.2115   46.383   9.2233   45.795   11.568  396.095   40.831  389.257   52.109 6.837952 66.20060 
1 1 1   10   13   25 o  147.164   33.234   5.6156   2.8019   9.3664   5.7264   4.4350   3.2127  171.689   53.090  122.640   39.992 49.04945 66.46745 
1 1 1   10   13   27 o   61.497   20.493  -2.5857   1.8499  -4.3950   3.0710  -1.5552   2.3175   61.092   29.464   61.903   28.491 -0.8117981 40.98632 
1 1 1   10   13   29 o  170.822   29.084   9.5883   2.7651   11.045   4.3434   8.5954   3.5855  180.771   42.795  160.873   39.396 19.89746 58.16744 
1 1 1   10   13   31 o  144.080   29.804   7.7031   2.8951   3.5897   4.3802   10.894   3.8579  111.252   44.848  176.909   39.265 -65.65713 59.60750 
1 1 1   10   13   33 o  177.803   31.413   15.237   3.5426   17.776   4.1230   8.0735   6.9246  228.241   31.676  127.366   54.256 100.8752 62.82573 
1 1 1   10   13   35 f   64.781   21.939  -1.8174   2.2303  -0.5049   3.5499  -2.6733   2.8668   71.816   33.783   57.746   28.000 14.07040 43.87765 
1 1 1   10   14    0 o  494.365   21.838   70.770   8.6290   70.770   8.6290   70.770   8.6290  494.365   30.883  494.365   30.883 -0.000000 0.000000 
1 1 1   10   14    2 o  1115.10   22.075  357.403   14.035  349.927   19.892  364.813   19.805  1103.37   31.613  1126.82   30.820 -23.44702 44.15080 
1 1 1   10   14    4 o  535.507   21.543   82.238   6.5725   77.332   9.1195   87.542   9.4808  518.866   30.819  552.148   30.109 -33.28198 43.08575 
1 1 1   10   14    6 o  1054.07   15.664  317.972   9.4158  320.715   13.337  315.246   13.295  1058.62   22.092  1049.53   22.213 9.087402 31.32805 
1 1 1   10   14    8 o  1290.76   15.855  476.673   11.671  482.920   16.536  470.474   16.474  1299.20   22.318  1282.31   22.527 16.89014 31.71074 
1 1 1   10   14   10 o  1332.13   15.913  507.622   12.088  511.979   17.128  503.298   17.064  1337.83   22.449  1326.42   22.558 11.41150 31.82500 
1 1 1   10   14   12 o  1312.38   23.508  494.424   17.590  509.605   25.104  479.782   24.655  1332.22   33.043  1292.54   33.448 39.68005 47.01699 
1 1 1   10   14   14 o  883.739   32.332  224.342   16.295   0.0000   0.0000  224.342   16.295  ?   ?   883.739   32.332      ?      ? 
1 1 1   10   14   16 o  904.633   20.938  238.225   9.9690  243.437   12.054  226.945   17.733  921.869   22.928  887.398   35.041 34.47180 41.87606 
1 1 1   10   14   18 o  968.562   15.535  267.190   8.5155  283.125   13.009  255.243   11.264  993.410   22.963  943.714   20.929 49.69629 31.06973 
1 1 1   10   14   20 o  650.060   20.741  118.801   5.8100  117.126   6.3695  127.099   14.176  639.448   17.467  660.671   37.625 -21.22345 41.48130 
1 1 1   10   14   22 o  490.697   29.317   73.279   7.8074   79.653   9.9362   62.992   12.622  522.461   33.348  458.932   48.228 63.52869 58.63456 
1 1 1   10   14   24 o  117.904   29.200   3.1859   2.1707   5.6392   4.3608   2.3778   2.5028  138.719   46.640   97.089   35.146 41.63050 58.39997 
1 1 1   10   14   26 o  179.233   27.082   9.8834   2.5137   10.266   4.6676   9.7271   2.9833  177.474   45.807  180.992   28.903 -3.518204 54.16324 
1 1 1   10   14   28 o  106.753   31.713   1.5393   2.3757   3.9920   6.3957   1.1468   2.5588  129.830   53.492   83.677   34.080 46.15317 63.42579 
1 1 1   10   14   30 o   82.048   25.795  -0.2470   2.4247   0.2370   3.4941  -0.6965   3.3674   85.280   37.420   78.816   35.515 6.463264 51.59007 
1 1 1   10   14   32 o   75.762   25.990  -4.7207   3.4774  -4.1378   4.5805  -5.5138   5.3426   74.417   35.915   77.107   37.576 -2.690529 51.97916 
1 1 1   10   14   34 o   84.652   28.579  -0.4584   3.2220  -1.7768   3.7109   3.5791   6.4941   69.915   33.365   99.389   46.409 -29.47356 57.15780 
1 1 1   10   15    1 o  766.335   21.591  168.782   9.4255  160.298   13.365  177.178   13.295  747.009   31.372  785.662   29.673 -38.65222 43.18170 
1 1 1   10   15    3 o  534.286   18.972   82.700   5.4434   84.503   6.6989   79.195   9.3390  543.446   21.615  525.125   31.185 18.32068 37.94355 
1 1 1   10   15    5 o  1475.94   20.040  634.644   15.828  655.014   19.469  594.935   27.183  1512.94   22.565  1438.94   33.125 73.99805 40.08063 
1 1 1   10   15    7 o  1001.26   15.572  286.784   8.8912  291.738   12.598  281.867   12.550  1009.90   21.874  992.627   22.170 17.27411 31.14474 
1 1 1   10   15    9 o  355.887   17.855   36.400   3.6095   33.914   5.2163   38.685   4.9998  344.103   26.582  367.672   23.845 -23.56857 35.70965 
1 1 1   10   15   11 o  392.470   24.135   41.783   4.6757   49.259   9.7085   39.526   5.3352  413.385   41.182  371.556   25.179 41.82852 48.26924 
1 1 1   10   15   13 o  702.221   24.070  141.189   9.6391   0.0000   0.0000  141.189   9.6391  ?   ?   702.221   24.070      ?      ? 
1 1 1   10   15   15 o  861.288   21.687  211.827   10.566  202.736   13.957  224.032   16.172  840.125   29.132  882.451   32.135 -42.32587 43.37396 
1 1 1   10   15   17 o  521.275   14.728   77.904   4.3750   76.571   6.2747   79.164   6.1032  516.878   21.287  525.672   20.359 -8.793518 29.45510 
1 1 1   10   15   19 o  208.274   40.349   14.223   4.6000   15.672   5.2199   9.1834   9.7320  228.262   41.633  188.286   69.129 39.97693 80.69773 
1 1 1   10   15   21 o  954.866   22.058  268.387   10.969  273.493   13.157  256.751   19.862  973.844   23.691  935.888   37.214 37.95538 44.11555 
1 1 1   10   15   23 o  291.414   28.358   25.280   4.6989   24.575   6.3707   26.121   6.9587  287.361   38.874  295.467   41.298 -8.106598 56.71630 
1 1 1   10   15   25 o  180.090   28.411   9.9574   2.7936   11.910   4.4997   8.7327   3.5635  193.624   41.962  166.556   38.315 27.06804 56.82270 
1 1 1   10   15   27 o  110.604   30.242   1.7408   2.7611   6.2539   4.6827  -0.6645   3.4186  139.349   48.295   81.860   36.415 57.48936 60.48483 
1 1 1   10   15   29 o  121.998   38.685  -1.1615   3.0688   13.950   10.717  -2.5114   3.2029  175.272   70.328   68.724   32.251 106.5485 77.36995 
1 1 1   10   15   31 o   91.127   28.246   1.2590   2.6747  -3.6195   6.1121   2.4145   2.9746   88.864   42.521   93.389   37.195 -4.524925 56.49298 
1 1 1   10   15   33 o  102.536   31.908   2.8974   4.1480   7.7319   5.2669  -4.9993   6.7313  122.737   49.283   82.336   40.542 40.40103 63.81630 
1 1 1   10   15   35 o   85.327   24.648   2.0378   2.3425  -3.2443   3.5952   5.9344   3.0879   61.130   30.007  109.524   39.112 -48.39367 49.29675 
1 1 1   10   16    0 o  1225.23   15.819  429.215   15.620  429.215   15.620  429.215   15.620  1225.23   22.371  1225.23   22.371 -0.000000 0.000000 
1 1 1   10   16    2 o  1033.45   21.923  306.516   12.920  305.939   18.323  307.087   18.222  1032.46   31.119  1034.44   30.889 -1.984741 43.84644 
1 1 1   10   16    4 o  683.863   18.889  135.562   7.0057  128.746   11.753  139.320   8.7253  669.843   30.766  697.882   21.923 -28.03918 37.77836 
1 1 1   10   16    6 o  920.723   18.915  242.902   9.4155  243.059   11.602  242.597   16.114  921.830   22.069  919.617   30.726 2.212769 37.83068 
1 1 1   10   16    8 o  353.323   14.823   35.828   2.6247   35.414   5.1165   35.976   3.0577  351.700   25.510  354.946   15.106 -3.246338 29.64688 
1 1 1   10   16   10 o  340.457   15.299   34.301   2.6832   30.410   4.8586   36.009   3.2185  325.842   26.147  355.070   15.894 -29.22806 30.59848 
1 1 1   10   16   12 o  1167.73   19.816  387.044   12.219  401.620   22.087  380.614   14.669  1182.20   32.760  1153.26   22.303 28.93884 39.63174 
1 1 1   10   16   14 o  679.729   21.845  132.295   8.4681   0.0000   0.0000  132.295   8.4681  ?   ?   679.729   21.845      ?      ? 
1 1 1   10   16   16 o  339.801   18.896   32.919   3.6469   29.869   4.9065   36.683   5.4514  322.364   26.689  357.237   26.758 -34.87296 37.79267 
1 1 1   10   16   18 o  143.544   39.714   4.2258   4.2361   4.8492   4.8105   2.0725   8.9398  137.077   48.832  150.011   62.645 -12.93465 79.42877 
1 1 1   10   16   20 o  451.997   19.418   57.582   4.8579   53.159   6.0766   65.416   8.0864  429.175   24.828  474.819   29.863 -45.64377 38.83585 
1 1 1   10   16   22 o   76.823   25.375  -5.8092   2.8674 -10.1499   3.8464  -0.3792   4.3020   57.229   28.592   96.417   41.930 -39.18782 50.75033 
1 1 1   10   16   24 o  125.070   29.265   4.9517   2.6500  -2.2955   5.8703   6.8066   2.9699  102.321   46.424  147.818   35.645 -45.49661 58.52960 
1 1 1   10   16   26 f  161.434   29.682   9.5151   2.6275   4.6694   5.9534   10.687   2.9280  133.596   52.805  189.272   27.127 -55.67667 59.36487 
1 1 1   10   16   28 o  133.942   31.812   6.7261   2.8511  -7.3905   10.048   7.9623   2.9733  111.375   53.610  156.510   34.263 -45.13427 63.62316 
1 1 1   10   16   30 o   96.475   30.395   1.0374   2.9688   0.8588   6.1971   1.0906   3.3822  105.207   47.720   87.743   37.661 17.46384 60.79073 
1 1 1   10   16   32 f   78.657   27.670  -3.0972   2.6912   0.4810   7.6651  -3.6003   2.8741  100.299   47.889   57.015   27.735 43.28434 55.34021 
1 1 1   10   16   34 o   73.972   25.992  -3.2212   3.4828  -0.9021   7.0140  -3.9802   4.0124   84.265   41.471   63.679   31.345 20.58664 51.98442 
1 1 1   10   17    1 o  733.517   15.608  153.904   6.5284  156.320   9.2396  151.496   9.2254  739.282   21.915  727.753   22.229 11.52924 31.21525 
1 1 1   10   17    3 o  739.048   31.935  156.747   13.460   0.0000   0.0000  156.747   13.460  ?   ?   739.048   31.935      ?      ? 
1 1 1   10   17    5 o  1332.98   19.490  514.066   13.988  493.671   23.894  524.700   17.253  1311.58   31.945  1354.38   22.337 -42.80579 38.97969 
1 1 1   10   17    7 o  114.049   26.523   3.5059   1.9935   2.9156   2.6669   4.2533   3.0009  105.755   36.458  122.343   38.532 -16.58758 53.04654 
1 1 1   10   17    9 o  803.171   14.966  184.881   6.8117  188.154   9.1803  180.871   10.161  811.243   19.843  795.100   22.408 16.14227 29.93127 
1 1 1   10   17   11 o  534.322   15.689   81.965   4.7655   87.229   6.6386   76.368   6.8451  552.174   21.082  516.471   23.240 35.70392 31.37758 
1 1 1   10   17   13 o  336.792   31.570   32.632   6.0636   0.0000   0.0000   32.632   6.0636  ?   ?   336.792   31.570      ?      ? 
1 1 1   10   17   15 o  349.829   27.400   32.289   3.3520   39.778   10.815   31.493   3.5256  367.978   51.534  331.680   18.639 36.29840 54.80091 
1 1 1   10   17   17 o  430.393   24.568   49.707   4.8828   47.104   5.4231   60.853   11.222  404.848   23.489  455.939   43.158 -51.09149 49.13568 
1 1 1   10   17   19 o  458.159   16.011   63.269   3.6859   54.305   6.8733   66.888   4.3670  433.163   27.824  483.155   15.849 -49.99301 32.02139 
1 1 1   10   17   21 o  301.622   25.682   26.665   4.2812   26.198   5.4074   27.449   7.0083  299.283   31.682  303.961   40.430 -4.678131 51.36441 
1 1 1   10   17   23 o  139.658   29.473   4.4335   2.4538   10.512   4.7235   2.1869   2.8717  181.293   45.700   98.022   37.231 83.27077 58.94598 
1 1 1   10   17   25 o  189.944   24.924   10.329   2.5654   15.622   4.3388   7.4841   3.1810  226.684   33.563  153.204   36.857 73.48048 49.84859 
1 1 1   10   17   27 o  130.019   32.361   5.5700   3.3993  -1.9729   6.6648   8.2221   3.9520  104.839   48.275  155.199   43.111 -50.36001 64.72272 
1 1 1   10   17   29 o  139.428   29.523   7.1300   3.0031   1.5620   4.6569   11.094   3.9292  100.724   43.714  178.132   39.694 -77.40829 59.04652 
1 1 1   10   17   31 o   84.432   25.537  -0.1648   2.5068  -4.6845   3.5838   4.1649   3.5076   62.401   30.489  106.463   40.975 -44.06118 51.07416 
1 1 1   10   17   33 o   76.378   26.722  -4.5430   4.3070  -4.3503   6.2041  -4.7223   5.9838   77.243   38.201   75.513   37.376 1.729965 53.44450 
1 1 1   10   18    0 o  1238.98   15.889  438.844   15.865  438.844   15.865  438.844   15.865  1238.98   22.470  1238.98   22.470 0.000000 0.000000 
1 1 1   10   18    2 o  596.611   15.792  101.785   5.3707  106.022   7.6616   97.692   7.5308  608.838   22.066  584.385   22.597 24.45270 31.58369 
1 1 1   10   18    4 o  231.968   36.011   16.322   4.6511   13.104   6.6496   19.405   6.5079  208.630   55.078  255.307   46.407 -46.67749 72.02266 
1 1 1   10   18    6 o  144.932   30.019   6.2215   2.7887   8.4950   3.6906   3.1958   4.2575  168.432   39.164  121.432   45.507 47.00090 60.03898 
1 1 1   10   18    8 o  347.263   18.490   34.510   3.6593   36.257   5.2732   32.886   5.0823  355.743   25.992  338.784   26.305 16.95868 36.98063 
1 1 1   10   18   10 o  398.906   14.953   45.215   3.0395   46.246   5.8197   44.828   3.5643  401.701   25.404  396.111   15.778 5.590790 29.90548 
1 1 1   10   18   12 o  721.855   30.319  149.856   12.481   0.0000   0.0000  149.856   12.481  ?   ?   721.855   30.319      ?      ? 
1 1 1   10   18   14 o  552.223   22.325   84.743   5.5622   93.364   12.888   82.770   6.1660  566.948   39.862  537.497   20.116 29.45123 44.64994 
1 1 1   10   18   16 o  327.775   36.207   36.349   4.2167   26.991   11.323   37.856   4.5435  292.441   69.009  363.109   21.941 -70.66748 72.41352 
1 1 1   10   18   18 o  457.001   21.263   60.110   5.2697   62.160   9.0270   59.051   6.4904  461.688   34.285  452.315   25.162 9.372223 42.52699 
1 1 1   10   18   20 o  112.029   30.170   1.5294   2.4930   5.6801   4.8426   0.0327   2.9080  142.082   49.120   81.976   35.046 60.10606 60.34038 
1 1 1   10   18   22 o  159.481   32.377   7.8431   2.9583   8.5851   5.2230   7.4926   3.5895  164.398   50.681  154.565   40.306 9.833282 64.75414 
1 1 1   10   18   24 o  131.249   32.314   3.3631   2.3318   9.5072   5.9124   2.2314   2.5374  168.010   54.211   94.488   35.186 73.52117 64.62868 
1 1 1   10   18   26 o  135.040   28.068   6.3254   2.5005   2.7558   4.1546   8.3530   3.1312  109.199   43.798  160.882   35.114 -51.68332 56.13613 
1 1 1   10   18   28 o  133.298   38.375   4.9666   3.7702   10.033   8.6248   3.7699   4.1919  153.940   62.618  112.656   44.379 41.28416 76.74973 
1 1 1   10   18   30 f  110.814   33.695   3.6318   3.3160   5.9099   7.1448   3.0064   3.7436  121.850   53.487   99.779   40.996 22.07118 67.39069 
1 1 1   10   18   32 o   73.310   26.266  -4.1344   2.7124   0.5938   7.6383  -4.8166   2.9015   94.103   45.646   52.517   26.000 41.58535 52.53104 
1 1 1   10   19    1 o  1097.12   15.773  344.398   9.8670  351.357   13.943  337.417   13.965  1108.27   22.061  1085.98   22.549 22.28601 31.54580 
1 1 1   10   19    3 o  649.400   15.836  120.651   5.8644  121.354   8.3321  119.962   8.2555  651.269   22.434  647.531   22.356 3.737915 31.67107 
1 1 1   10   19    5 o  627.868   19.996  115.681   6.1346  107.872   12.228  118.308   7.0916  612.445   35.010  643.291   19.331 -30.84644 39.99253 
1 1 1   10   19    7 o  548.065   31.236   86.279   9.7630   86.279   9.7630   0.0000   0.0000  548.065   31.236  ?   ?       ?      ? 
1 1 1   10   19    9 o  160.489   25.973   7.6825   2.5224   3.2960   3.5789   12.012   3.5557  116.531   42.052  204.448   30.497 -87.91718 51.94618 
1 1 1   10   19   11 f  342.567   32.284   33.807   6.3070   0.0000   0.0000   33.807   6.3070  ?   ?   342.567   32.284      ?      ? 
1 1 1   10   19   13 o  346.868   17.378   34.782   3.4105   32.401   5.0415   36.791   4.6310  335.665   26.336  358.072   22.678 -22.40726 34.75509 
1 1 1   10   19   15 o  107.528   28.857   2.6482   2.0206   0.3473   5.2544   3.0475   2.1889  111.571   47.388  103.485   32.943 8.085663 57.71393 
1 1 1   10   19   17 o  168.563   31.054   6.7936   2.6577   13.388   5.7201   4.9780   3.0014  207.953   49.031  129.173   38.123 78.78001 62.10852 
1 1 1   10   19   19 o  247.030   23.077   17.894   3.2226   17.569   4.8631   18.148   4.3029  244.581   34.865  249.480   30.244 -4.898453 46.15499 
1 1 1   10   19   21 o  180.268   36.487   8.6812   3.0259   13.472   8.0544   7.8939   3.2651  201.016   63.097  159.519   36.660 41.49699 72.97380 
1 1 1   10   19   23 o  126.067   31.722   4.5755   2.8927   5.6161   4.1399   3.5828   4.0435  134.772   45.443  117.361   44.274 17.41057 63.44481 
1 1 1   10   19   25 o  114.979   29.449   4.0708   2.5287  -1.3053   5.8071   5.3287   2.8091  101.670   46.146  128.286   36.599 -26.61610 58.89737 
1 1 1   10   19   27 o  132.546   37.562   2.9390   3.0396   13.647   8.6364   1.4251   3.2474  174.443   64.923   90.650   37.798 83.79305 75.12441 
1 1 1   10   19   29 o  173.904   33.972   12.896   3.5544   10.519   5.9453   14.218   4.4341  151.357   54.248  196.450   40.908 -45.09317 67.94302 
1 1 1   10   19   31 o  103.514   31.165   4.1443   3.0354   5.7810   5.4862   3.4222   3.6439  110.448   47.690   96.580   40.135 13.86758 62.33074 
1 1 1   10   19   33 o   94.039   31.017   3.3966   4.1566  -2.3905   5.5242   10.948   6.3106   73.976   36.484  114.103   50.172 -40.12727 62.03493 
1 1 1   10   20    0 o  187.423   28.426   11.338   3.7726   11.338   3.7726   11.338   3.7726  187.423   40.200  187.423   40.200 -0.000000 0.000000 
1 1 1   10   20    2 o  237.675   20.749   16.213   2.8118   16.421   3.9516   16.000   4.0019  239.240   28.963  236.111   29.721 3.128433 41.49897 
1 1 1   10   20    4 o  488.737   16.510   68.379   4.6009   69.867   6.5629   66.941   6.4519  493.969   23.297  483.506   23.399 10.46268 33.01915 
1 1 1   10   20    6 o  663.562   24.286  126.849   9.1849  123.279   13.078  130.325   12.903  654.208   35.053  672.916   33.622 -18.70703 48.57145 
1 1 1   10   20   10 o  849.152   30.813  207.706   14.921   0.0000   0.0000  207.706   14.921  ?   ?   849.152   30.813      ?      ? 
1 1 1   10   20   12 o  336.415   14.737   31.806   2.6668   34.391   4.6972   30.576   3.2395  346.013   23.804  326.817   17.381 19.19601 29.47440 
1 1 1   10   20   14 o  243.207   37.554   20.672   3.6285   13.234   10.076   21.780   3.8894  211.314   70.898  275.099   24.791 -63.78543 75.10800 
1 1 1   10   20   16 o  488.794   26.661   74.219   5.5034   63.676   12.941   76.547   6.0807  461.642   49.154  515.946   20.666 -54.30460 53.32123 
1 1 1   10   20   18 o  324.721   35.678   33.252   3.0681   31.326   11.923   33.389   3.1750  308.389   69.463  341.053   16.324 -32.66400 71.35527 
1 1 1   10   20   20 o  304.753   26.406   25.252   4.1502   34.258   8.2105   22.161   4.8100  335.452   42.918  274.054   30.776 61.39774 52.81247 
1 1 1   10   20   22 o  159.363   28.349   10.479   3.1215  -7.3573   8.0126   13.670   3.3893  104.055   49.480  214.672   27.685 -110.6170 56.69877 
1 1 1   10   20   24 o  108.369   30.521   2.6855   2.8355   3.0088   4.0172   2.3645   4.0029  110.707   43.497  106.032   42.827 4.674820 61.04259 
1 1 1   10   20   26 o  106.015   34.480  -1.2925   3.3552   5.5569   8.5889  -2.5259   3.6448  138.155   59.662   73.875   34.584 64.28065 68.96064 
1 1 1   10   20   28 o   61.585   20.841  -3.0178   2.0829  -4.9889   3.3852  -1.8170   2.6423   60.487   29.570   62.684   29.377 -2.196880 41.68243 
1 1 1   10   20   30 o  115.908   34.072   4.4834   3.0772   11.954   6.8139   2.5694   3.4490  140.217   56.143   91.599   38.621 48.61807 68.14386 
1 1 1   10   20   32 o  105.846   34.870   7.1446   4.9765   15.669   8.0375   1.8448   6.3374  124.197   55.499   87.495   42.231 36.70210 69.73993 
1 1 1   10   21    1 o  899.196   15.759  231.568   8.0784  224.020   11.410  239.153   11.439  884.446   22.622  913.947   21.947 -29.50134 31.51846 
1 1 1   10   21    3 o  739.281   15.960  156.546   6.7285  155.466   9.5516  157.610   9.4798  736.725   22.734  741.837   22.408 -5.111877 31.92091 
1 1 1   10   21    5 o  405.051   14.624   46.919   3.1829   46.819   3.8946   47.119   5.5233  404.672   16.876  405.430   23.888 -0.7579956 29.24818 
1 1 1   10   21    7 f  966.840   19.761  266.785   10.146  273.917   18.100  263.518   12.251  974.820   32.558  958.861   22.405 15.95886 39.52214 
1 1 1   10   21   11 o  595.927   20.723   99.689   5.3102  106.753   12.998   98.274   5.8179  606.006   37.611  585.847   17.413 20.15881 41.44637 
1 1 1   10   21   13 o  382.563   26.016   42.090   3.4826   43.334   10.736   41.943   3.6817  382.469   49.221  382.657   16.871 -0.1876221 52.03236 
1 1 1   10   21   15 o  606.617   22.289  102.868   6.2183  114.331   14.051  100.076   6.9343  623.359   39.526  589.875   20.614 33.48438 44.57832 
1 1 1   10   21   17 o  108.829   34.823   0.5415   2.5277  -3.7465   9.9823   0.8352   2.6129  133.578   60.579   84.081   34.363 49.49749 69.64661 
1 1 1   10   21   19 o  298.352   31.576   20.946   3.7020   37.551   11.150   18.889   3.9246  342.765   57.043  253.940   27.100 88.82495 63.15290 
1 1 1   10   21   21 o  398.046   34.406   51.331   7.3346   52.828   9.0912   48.540   12.414  414.705   38.441  381.387   57.074 33.31760 68.81268 
1 1 1   10   21   23 f   95.721   31.116  -0.9897   3.2760  -5.1333   7.6096  -0.0471   3.6296  103.983   49.081   87.458   38.263 16.52543 62.23281 
1 1 1   10   21   25 o   95.495   30.007   0.0683   3.2465   0.5700   4.9257  -0.3170   4.3169  100.134   44.166   90.856   40.632 9.278381 60.01332 
1 1 1   10   21   27 o   74.626   25.641  -4.2741   2.9182  -3.1076   5.6037  -4.7081   3.4183   87.329   41.484   61.922   30.150 25.40685 51.28271 
1 1 1   10   21   29 o   82.108   27.967  -1.8378   2.9546   1.3899   6.5958  -2.6481   3.3047   99.093   46.432   65.123   31.189 33.96945 55.93457 
1 1 1   10   21   31 o  103.008   31.202   5.5648   3.1688   5.5045   6.7691   5.5817   3.5860   99.590   46.784  106.427   41.299 -6.837601 62.40469 
1 1 1   10   22    0 o  323.262   18.932   30.510   4.8579   30.510   4.8579   30.510   4.8579  323.262   26.774  323.262   26.774 -0.000000 0.000000 
1 1 1   10   22    2 o  278.537   20.292   22.354   3.2083   19.765   4.5113   25.004   4.5637  262.059   30.186  295.015   27.125 -32.95609 40.58339 
1 1 1   10   22    4 o  516.966   16.880   76.601   4.9730   78.641   7.1964   74.735   6.8801  523.520   24.104  510.413   23.636 13.10709 33.75908 
1 1 1   10   22    6 o  898.058   16.114  231.353   8.2508  238.149   11.739  224.719   11.599  911.136   22.593  884.980   22.982 26.15625 32.22700 
1 1 1   10   22    8 o  1007.52   22.180  293.706   12.706  320.615   18.006  267.017   17.932  1054.14   29.952  960.907   32.723 93.22827 44.36094 
1 1 1   10   22   12 o  605.484   20.112  100.816   4.9555  113.706   13.135   98.677   5.3509  624.020   36.910  586.947   15.986 37.07373 40.22341 
1 1 1   10   22   14 o  224.071   38.531   17.400   3.9118   10.787   10.308   18.513   4.2281  195.643   71.249  252.499   29.363 -56.85600 77.06227 
1 1 1   10   22   16 o  102.857   33.479   0.1573   2.2427  -3.8276   9.5174   0.3916   2.3077  129.601   58.920   76.114   31.811 53.48735 66.95879 
1 1 1   10   22   18 o  271.471   19.736   19.351   2.5793   26.167   5.6955   17.592   2.8929  296.550   33.677  246.393   20.588 50.15642 39.47188 
1 1 1   10   22   20 o  323.179   18.389   26.332   3.0797   43.069   6.1438   20.715   3.5591  380.672   28.300  265.685   23.490 114.9869 36.77886 
1 1 1   10   22   22 o  171.094   36.835   9.7283   3.6993   8.6151   4.4507   12.216   6.6533  159.242   46.262  182.946   57.334 -23.70406 73.67033 
1 1 1   10   22   24 o   71.775   34.270  -4.0370   3.9257   0.0000   0.0000  -4.0370   3.9257  ?   ?    71.775   34.270      ?      ? 
1 1 1   10   22   26 o  108.663   29.859   3.7495   2.7810   1.0541   4.7289   5.1745   3.4385   97.138   43.038  120.187   41.400 -23.04951 59.71749 
1 1 1   10   22   28 o   90.407   28.392   1.5958   2.8340  -0.0429   5.3184   2.2456   3.3491   90.231   42.088   90.583   38.118 -0.3519516 56.78344 
1 1 1   10   22   30 o   83.758   28.853  -0.0046   3.6746  -5.6078   10.732   0.7396   3.9110   88.175   44.537   79.342   36.692 8.833344 57.70508 
1 1 1   10   23    1 o  623.390   16.180  111.540   5.7518  110.419   8.1516  112.651   8.1171  620.243   23.046  626.537   22.718 -6.294312 32.36032 
1 1 1   10   23    3 o  657.912   16.432  124.539   6.1521  117.166   8.7937  131.607   8.6100  638.621   24.145  677.204   22.294 -38.58319 32.86373 
1 1 1   10   23    5 o  756.818   16.292  164.370   7.0292  169.671   10.102  159.393   9.7874  768.640   23.045  744.997   23.037 23.64307 32.58443 
1 1 1   10   23    7 o  367.427   25.767   38.779   5.3453   47.366   7.9994   31.852   7.1848  404.074   34.714  330.780   38.087 73.29410 51.53358 
1 1 1   10   23    9 o  130.631   34.899   3.9157   3.6162  -5.1984   8.1757   6.1325   4.0321  117.046   53.738  144.215   44.542 -27.16931 69.79759 
1 1 1   10   23   11 o  175.408   65.962   7.7427   8.9601   7.7427   8.9601   0.0000   0.0000  175.408   65.962  ?   ?       ?      ? 
1 1 1   10   23   13 o  330.116   18.781   31.023   3.5035   35.885   5.4151   27.523   4.5947  351.895   26.984  308.336   26.130 43.55899 37.56213 
1 1 1   10   23   15 o  133.525   38.127   2.3090   2.7922   7.3473   9.3125   1.8113   2.9268  171.195   66.519   95.854   37.279 75.34105 76.25314 
1 1 1   10   23   17 o  364.240   32.080   42.283   3.7387   39.656   11.654   42.584   3.9473  344.528   61.575  383.951   18.027 -39.42261 64.15966 
1 1 1   10   23   19 o  240.578   39.662   19.668   3.8119   19.256   11.087   19.723   4.0594  223.432   74.360  257.724   27.619 -34.29272 79.32330 
1 1 1   10   23   21 o  221.548   52.324   20.819   7.7681   20.274   11.256   21.315   10.734  217.666   74.908  225.430   73.077 -7.763687 104.6488 
1 1 1   10   23   23 o   89.666   41.420  -2.0164   4.9632   0.0000   0.0000  -2.0164   4.9632  ?   ?    89.666   41.420      ?      ? 
1 1 1   10   23   25 o  126.855   33.285   5.9560   3.1911   6.2169   4.7969   5.7489   4.2741  128.587   48.281  125.123   45.831 3.463127 66.57005 
1 1 1   10   23   27 o   92.916   30.124   0.9075   2.7911   3.6034   6.7284   0.3472   3.0674  108.744   49.477   77.088   34.379 31.65607 60.24858 
1 1 1   10   23   29 o   85.620   30.105  -1.9418   4.4447   1.0999   10.331  -2.6327   4.9237   96.583   48.028   74.658   36.313 21.92527 60.21061 
1 1 1   10   24    0 o  456.930   17.441   60.309   6.3846   60.309   6.3846   60.309   6.3846  456.930   24.666  456.930   24.666 -0.000000 0.000000 
1 1 1   10   24    2 f  251.727   21.881   18.394   3.1237   16.277   4.4341   20.480   4.4014  237.073   32.797  266.380   28.973 -29.30713 43.76140 
1 1 1   10   24    4 o  398.307   18.704   45.671   4.2466   47.102   6.1234   44.345   5.8944  404.298   26.558  392.316   26.346 11.98175 37.40880 
1 1 1   10   24    6 o  578.976   23.440   97.124   7.7275  105.023   11.174   89.881   10.699  601.679   32.564  556.273   33.725 45.40668 46.87990 
1 1 1   10   24    8 o  188.296   31.270   10.612   3.5334   5.6774   4.9011   15.952   5.0987  143.303   49.423  233.288   38.324 -89.98512 62.54086 
1 1 1   10   24   10 o  191.424   39.519   11.158   4.1712   0.0000   0.0000   11.158   4.1712  ?   ?   191.424   39.519      ?      ? 
1 1 1   10   24   12 o  208.822   36.742   10.431   3.0131   18.925   9.2849   9.4312   3.1855  240.743   65.766  176.901   32.783 63.84229 73.48357 
1 1 1   10   24   14 o  150.249   34.539   7.5850   3.5597  -5.8234   9.5380   9.7549   3.8370  123.009   57.032  177.489   38.975 -54.48000 69.07755 
1 1 1   10   24   16 f  159.431   37.622   8.3595   3.6213   2.2463   9.7114   9.3468   3.9028  146.879   63.435  171.982   40.467 -25.10312 75.24370 
1 1 1   10   24   18 o  341.378   23.874   31.920   3.4567   40.977   8.8743   30.301   3.7531  360.556   43.159  322.200   20.426 38.35587 47.74817 
1 1 1   10   24   20 o  234.416   24.741   14.797   3.0014   25.593   5.6509   10.554   3.5424  287.164   34.506  181.669   35.465 105.4956 49.48168 
1 1 1   10   24   24 o  122.899   34.535   5.2062   3.5678   6.3463   5.5866   4.4208   4.6365  129.736   51.192  116.062   46.368 13.67482 69.07026 
1 1 1   10   24   26 o   96.287   30.286   1.7927   3.4385  -0.7635   5.4425   3.4908   4.4360   89.364   41.970  103.210   43.673 -13.84649 60.57125 
1 1 1   10   24   28 o   78.008   26.260  -3.3095   3.3994   3.7095   4.8452 -10.1140   4.7706   96.743   43.171   59.273   29.909 37.46991 52.51956 
1 1 1   10   25    1 o  1267.13   16.222  462.081   11.722  465.138   16.597  459.039   16.559  1271.34   22.892  1262.92   22.992 8.412598 32.44443 
1 1 1   10   25    3 o  462.287   18.015   61.385   4.7384   66.486   6.9826   57.032   6.4511  479.997   25.509  444.576   25.445 35.42078 36.02949 
1 1 1   10   25    5 o  272.542   29.662   21.918   4.6078   21.092   6.5109   22.747   6.5219  267.225   42.724  277.859   41.158 -10.63431 59.32373 
1 1 1   10   25    7 o  606.673   20.836  106.890   6.8681  106.962   8.5160  106.757   11.616  608.631   24.535  604.715   33.684 3.916199 41.67265 
1 1 1   10   25    9 o  289.408   34.820   25.618   4.8343   25.526   9.5867   25.649   5.5982  282.630   61.247  296.187   33.143 -13.55685 69.63911 
1 1 1   10   25   11 f  152.750   46.433   7.1574   4.4034   0.0000   0.0000   7.1574   4.4034  ?   ?   152.750   46.433      ?      ? 
1 1 1   10   25   13 o  171.498   35.857   9.3613   2.9162   5.5552   9.3884   9.7677   3.0680  160.762   65.355  182.233   29.521 -21.47083 71.71346 
1 1 1   10   25   15 o  239.993   40.099   22.475   5.7708   8.6783   10.445   28.537   6.9234  174.622   69.651  305.364   39.757 -130.7419 80.19878 
1 1 1   10   25   17 o  171.945   45.259   9.1548   5.5614   13.634   10.073   7.1904   6.6702  191.830   70.345  152.060   56.965 39.77028 90.51740 
1 1 1   10   25   19 o  156.287   43.991   7.7095   5.5143   10.073   10.042   6.6892   6.5980  167.661   67.795  144.913   56.079 22.74779 87.98283 
1 1 1   10   25   21 o  169.783   36.725   9.5940   3.4525   0.0000   0.0000   9.5940   3.4525  ?   ?   169.783   36.725      ?      ? 
1 1 1   10   25   25 o  109.687   37.170   1.1031   6.7884  -3.9012   10.013   5.3600   9.2349  101.177   49.748  118.197   55.242 -17.01951 74.34070 
1 1 1   10   25   27 o   93.613   32.794  -1.2992   6.6246  -5.1842   9.8297   1.9337   8.9668   89.301   44.774   97.925   47.927 -8.624626 65.58750 
1 1 1   10   26    0 o  829.045   16.235  197.524   10.837  197.524   10.837  197.524   10.837  829.045   22.960  829.045   22.960 -0.000000 0.000000 
1 1 1   10   26    2 o  356.172   19.998   36.666   4.0516   40.577   5.9064   33.190   5.5681  374.178   27.679  338.167   28.873 36.01129 39.99694 
1 1 1   10   26    4 o  708.283   23.534  146.554   9.4998  146.603   13.206  146.502   13.676  708.711   32.674  707.854   33.878 0.8577271 47.06714 
1 1 1   10   26    6 o  537.521   21.372   84.875   6.3162   86.947   8.0017   81.450   10.288  547.917   25.608  527.125   34.224 20.79132 42.74423 
1 1 1   10   26    8 o  213.593   28.999   14.844   3.3744   8.1537   4.9867   20.494   4.5830  162.472   49.418  264.714   30.358 -102.2416 57.99824 
1 1 1   10   26   10 o  221.334   38.302   16.024   4.1792   14.132   9.3543   16.496   4.6713  206.824   68.279  235.844   34.731 -29.02014 76.60430 
1 1 1   10   26   12 o  131.577   42.338   5.2571   3.6082   0.0000   0.0000   5.2571   3.6082  ?   ?   131.577   42.338      ?      ? 
1 1 1   10   26   14 o   88.608   30.287  -2.6879   2.8298  -8.9137   8.8631  -1.9812   2.9860  107.158   51.255   70.058   32.280 37.09966 60.57309 
1 1 1   10   26   16 o  121.046   37.165   1.4445   3.2963   5.0063   9.3176   0.9350   3.5242  149.132   63.211   92.960   39.109 56.17179 74.33091 
1 1 1   10   26   18 o  103.245   27.460  -1.1770   3.1758 -13.5756   5.0362   7.0083   4.0920   62.774   31.553  143.716   44.951 -80.94198 54.91985 
1 1 1   10   26   20 o  141.325   41.849   5.0118   5.2680   12.779   9.6608   1.7249   6.2845  169.208   67.144  113.442   49.970 55.76519 83.69734 
1 1 1   10   26   24 o  102.996   35.383  -1.4730   6.5679  -2.6336   9.5140  -0.4163   9.0781  101.549   49.629  104.444   50.444 -2.895401 70.76508 
1 1 1   10   26   26 o  101.073   33.478   3.8869   5.2442  -4.8190   9.9677   7.2191   6.1667   90.170   45.193  111.977   49.403 -21.80719 66.95516 
1 1 1   10   26   28 o   76.042   26.645  -2.1244   4.3218   0.1369   6.2373  -4.2125   5.9937   80.382   39.470   71.701   35.803 8.680725 53.28901 
1 1 1   10   27    1 o  413.942   18.965   49.704   4.4730   52.453   6.4729   47.192   6.1882  424.909   26.712  402.976   26.927 21.93286 37.92912 
1 1 1   10   27    3 o  398.447   26.986   47.175   6.1160   50.793   8.6298   43.525   8.6690  414.475   36.510  382.418   39.750 32.05670 53.97253 
1 1 1   10   27    5 o  675.595   15.236  132.473   5.6886  134.106   7.2326  129.824   9.2113  682.263   18.589  668.927   24.146 13.33612 30.47265 
1 1 1   10   27    7 o  149.763   32.668   6.9583   3.0923   5.8460   4.6102   7.8681   4.1694  141.083   47.953  158.443   44.376 -17.36076 65.33543 
1 1 1   10   27    9 o  441.166   25.321   56.295   5.6231   62.678   11.125   54.105   6.5168  452.650   43.096  429.683   26.595 22.96613 50.64146 
1 1 1   10   27   11 o  250.428   37.610   21.147   4.0638   19.411   9.8863   21.500   4.4578  231.509   69.396  269.348   29.021 -37.83905 75.21998 
1 1 1   10   27   13 o  244.575   35.524   18.275   4.9548   0.0000   0.0000   18.275   4.9548  ?   ?   244.575   35.524      ?      ? 
1 1 1   10   27   15 o  371.919   27.511   40.678   3.5049   47.269   11.111   39.949   3.6935  373.441   52.170  370.397   17.485 3.044250 55.02207 
1 1 1   10   27   17 o  110.167   35.047  -3.7307   2.4812   11.205   8.9719  -4.9676   2.5819  169.100   65.406   51.235   25.205 117.8653 70.09488 
1 1 1   10   27   19 o  126.606   37.532   0.3016   3.0649   15.188   9.2228  -1.5465   3.2496  180.038   67.074   73.175   33.700 106.8627 75.06432 
1 1 1   10   27   21 o  171.273   48.568   11.756   4.9622   0.0000   0.0000   11.756   4.9622  ?   ?   171.273   48.568      ?      ? 
1 1 1   10   27   23 o  130.391   39.936   7.4728   4.7829   4.6642   5.5058   16.110   9.6553  110.811   47.811  149.971   63.981 -39.16068 79.87118 
1 1 1   10   27   25 o   83.690   28.386  -0.5944   3.8826   0.0000   5.0291  -1.4714   6.1087   83.422   39.532   83.958   40.747 -0.5367279 56.77228 
1 1 1   10   27   27 o   87.926   29.127   3.5642   3.6313   3.3061   6.0987   3.7059   4.5198   87.534   42.040   88.318   40.326 -0.7836533 58.25377 
1 1 1   10   28    0 o  1082.92   16.437  337.985   14.341  337.985   14.341  337.985   14.341  1082.92   23.246  1082.92   23.246 -0.000000 0.000000 
1 1 1   10   28    2 o  815.201   23.935  196.933   11.108  213.317   15.988  181.642   15.445  848.700   33.032  781.704   34.647 66.99591 47.86976 
1 1 1   10   28    4 o  123.072   31.817   3.9521   2.9671   2.4183   4.4496   5.1802   3.9816  113.682   45.422  132.462   44.566 -18.78015 63.63408 
1 1 1   10   28    6 o  123.182   28.760   4.5993   2.3292   3.0728   4.1467   5.3030   2.8154  115.573   44.532  130.791   36.407 -15.21807 57.51994 
1 1 1   10   28    8 o  161.653   30.146   10.475   2.5792  -2.0687   8.3302   11.805   2.7125  122.431   55.449  200.874   23.679 -78.44300 60.29290 
1 1 1   10   28   10 o  323.738   20.310   31.147   3.7457   29.359   5.1756   33.114   5.4279  313.911   28.911  333.565   28.534 -19.65363 40.62018 
1 1 1   10   28   12 f  299.396   28.731   22.541   3.2553   37.205   10.023   20.812   3.4419  332.945   52.788  265.847   22.703 67.09875 57.46288 
1 1 1   10   28   14 o  123.762   44.865   4.6770   4.0804   0.0000   0.0000   4.6770   4.0804  ?   ?   123.762   44.865      ?      ? 
1 1 1   10   28   16 o  144.319   29.777   7.6637   3.1376   0.3958   5.4335   11.300   3.8431  103.851   46.067  184.787   37.744 -80.93542 59.55449 
1 1 1   10   28   18 o  156.466   35.047   9.5389   3.0277   6.6737   9.4365   9.8677   3.1967  140.125   61.490  172.808   33.648 -32.68323 70.09375 
1 1 1   10   28   20 o  130.728   47.898   6.8356   4.6687   0.0000   0.0000   6.8356   4.6687  ?   ?   130.728   47.898      ?      ? 
1 1 1   10   28   22 o   75.148   26.693  -2.5766   2.5026  -7.5617   9.2111  -2.1793   2.6004   91.317   45.400   58.979   28.086 32.33864 53.38507 
1 1 1   10   28   24 o  117.503   38.712   9.5312   6.8127  -1.9336   9.7152   20.623   9.5559   92.361   46.033  142.645   62.254 -50.28306 77.42451 
1 1 1   10   29    1 o  319.145   31.895   31.719   5.8047   31.348   8.1682   32.098   8.2507  317.235   45.150  321.056   45.062 -3.821228 63.78949 
1 1 1   10   29    3 o  573.057   17.999   96.575   5.8660   95.269   8.5833   97.719   8.0353  568.734   26.464  577.380   24.403 -8.646606 35.99790 
1 1 1   10   29    5 o  231.520   26.448   16.275   3.4820   17.442   5.1686   15.304   4.7118  238.865   37.942  224.174   36.856 14.69102 52.89572 
1 1 1   10   29    7 o  507.538   18.469   76.219   5.3429   76.228   7.6760   76.210   7.4415  507.272   26.534  507.805   25.696 -0.5325928 36.93707 
1 1 1   10   29    9 o  239.526   34.851   16.065   3.9550   26.548   8.7086   13.341   4.4392  275.153   57.358  203.899   39.604 71.25446 69.70186 
1 1 1   10   29   11 o  334.086   17.285   33.107   3.1246   33.439   5.3331   32.934   3.8556  333.175   28.068  334.997   20.182 -1.822021 34.57048 
1 1 1   10   29   13 o  167.751   38.582   9.5681   3.5187   11.033   9.0695   9.3085   3.8178  168.905   65.641  166.597   40.563 2.307892 77.16312 
1 1 1   10   29   15 o  263.566   43.640   23.654   6.5594   0.0000   0.0000   23.654   6.5594  ?   ?   263.566   43.640      ?      ? 
1 1 1   10   29   17 o  108.217   30.960   2.1072   2.8684   6.8003   5.1055  -0.0575   3.4674  134.154   49.920   82.280   36.633 51.87484 61.91901 
1 1 1   10   29   19 o   97.849   41.146   2.4905   3.8980   0.0000   0.0000   2.4905   3.8980  ?   ?    97.849   41.146      ?      ? 
1 1 1   10   29   21 o   85.451   28.371   0.0761   3.1511 -11.3291   9.2491   1.5737   3.3516   85.532   42.960   85.370   37.067 0.1624527 56.74123 
1 1 1   10   29   23 o   88.147   30.769  -1.4779   3.9553   8.3269   8.9644  -3.8481   4.4075  108.182   51.690   68.112   33.391 40.06959 61.53757 
1 1 1   10   30    2 o  140.295   37.361   5.3767   3.8473   4.4486   4.6591   7.3662   6.8211  126.692   47.580  153.897   57.615 -27.20547 74.72159 
1 1 1   10   30    4 o  134.728   32.001   5.6132   3.0961   2.5649   4.6552   8.0310   4.1459  113.412   46.053  156.044   44.444 -42.63174 64.00148 
1 1 1   10   30    6 o  139.648   32.970   6.2054   3.0637   7.3116   4.6712   5.3703   4.0585  148.445   48.213  130.852   44.983 17.59242 65.93936 
1 1 1   10   30    8 o  169.595   32.551   10.678   3.6512   3.5272   6.1084   14.653   4.5544  126.249   52.172  212.942   38.939 -86.69330 65.10159 
1 1 1   10   30   10 o  204.860   36.948   12.755   3.4412   19.548   8.6172   11.466   3.7534  221.391   64.387  188.330   36.263 33.06134 73.89641 
1 1 1   10   30   12 o  111.442   34.651   1.6437   3.2894   2.5988   8.2858   1.4650   3.5839  128.109   56.854   94.775   39.629 33.33401 69.30257 
1 1 1   10   30   14 o  109.088   34.561   1.0459   3.1064   5.0842   8.4865   0.4211   3.3381  133.588   58.474   84.588   36.859 48.99966 69.12169 
1 1 1   10   30   16 o  102.142   42.920   2.5449   4.2363   0.0000   0.0000   2.5449   4.2363  ?   ?   102.142   42.920      ?      ? 
1 1 1   10   30   18 o   79.662   36.630  -0.6375   3.8184   0.0000   0.0000  -0.6375   3.8184  ?   ?    79.662   36.630      ?      ? 
1 1 1   10   30   20 o   93.098   28.557   2.3986   2.9618  -0.8977   5.0601   4.1166   3.6530   83.773   39.686  102.422   41.073 -18.64877 57.11358 
1 1 1   10   30   22 o   72.710   26.424  -3.6515   2.6143   1.6258   8.9558  -4.1431   2.7334   93.770   46.285   51.650   25.509 42.11996 52.84895 
1 1 1   10   31    1 o  414.322   29.347   55.119   6.9100   50.707   9.8153   59.455   9.7297  395.588   43.508  433.057   39.397 -37.46902 58.69466 
1 1 1   10   31    3 o  458.112   28.753   67.320   7.4815   61.753   10.655   72.734   10.507  436.706   42.785  479.517   38.423 -42.81033 57.50503 
1 1 1   10   31    5 o  304.072   22.856   28.308   3.8816   36.442   5.7408   21.457   5.2684  346.254   29.072  261.890   35.275 84.36475 45.71163 
1 1 1   10   31    7 o  173.279   34.483   12.119   3.8401   4.2154   7.8585   14.598   4.4014  134.929   57.646  211.628   37.859 -76.69952 68.96651 
1 1 1   10   31    9 o  102.258   27.722   1.0045   2.5606   6.1769   3.9892  -2.6197   3.3393  134.330   44.600   70.187   32.936 64.14269 55.44309 
1 1 1   10   31   11 f  172.355   34.102   4.9205   3.2125   25.293   7.9662   0.9640   3.5106  254.812   56.318   89.898   38.471 164.9135 68.20419 
1 1 1   10   31   13 o   78.169   27.207  -4.7078   3.2195  -9.4911   7.7930  -3.7234   3.5353   89.293   43.901   67.046   32.149 22.24668 54.41337 
1 1 1   10   31   15 o  124.620   34.283   6.2728   3.6984  -0.5840   8.7156   7.7787   4.0844  108.820   51.705  140.420   45.032 -31.60042 68.56563 
1 1 1   10   31   17 o   79.261   37.864  -2.6045   4.8054   0.0000   0.0000  -2.6045   4.8054  ?   ?    79.261   37.864      ?      ? 
1 1 1   10   31   19 o  105.734   33.871   3.2253   2.9473   12.034   8.9160   2.1446   3.1228  125.548   57.058   85.921   36.514 39.62682 67.74170 
1 1 1   10   31   21 o  101.795   29.448   5.2377   2.7420   4.4225   4.9807   5.5922   3.2846   95.803   43.178  107.788   40.054 -11.98503 58.89534 
1 1 1   10   32    0 o   76.622   33.933   1.6129   4.3325   1.6129   4.3325   1.6129   4.3325   76.622   47.989   76.622   47.989 0.000000 0.000000 
1 1 1   10   32    2 o  192.232   37.353   13.962   4.1360   12.539   7.3315   14.626   5.0092  177.831   60.472  206.632   43.865 -28.80087 74.70552 
1 1 1   10   32    4 o   74.705   26.095 -10.3591   4.0624 -12.1156   5.8273  -8.6983   5.6662   72.114   35.894   77.297   37.887 -5.182762 52.19051 
1 1 1   10   32    6 o   89.123   28.281  -0.4542   2.8769   0.1686   4.7546  -0.8139   3.6135   96.834   43.017   81.412   36.727 15.42172 56.56264 
1 1 1   10   32    8 o  189.211   36.429   14.308   3.8379   12.218   7.9334   14.946   4.3852  167.544   62.251  210.877   37.855 -43.33231 72.85722 
1 1 1   10   32   10 o  208.000   26.418   14.661   2.9992   14.439   4.6808   14.815   3.9064  201.467   42.097  214.532   31.930 -13.06442 52.83617 
1 1 1   10   32   12 o  177.938   34.887   12.093   2.9981   14.109   8.3626   11.796   3.2116  164.410   63.271  191.465   29.413 -27.05453 69.77380 
1 1 1   10   32   14 o  101.721   32.266   2.1870   2.7546   3.6176   8.3581   2.0127   2.9176  115.237   53.415   88.206   36.211 27.03046 64.53156 
1 1 1   10   32   16 o   93.387   38.262   2.8358   3.2494   0.0000   0.0000   2.8358   3.2494  ?   ?    93.387   38.262      ?      ? 
1 1 1   10   32   18 o   89.944   30.798   0.0787   3.7812   5.5540   8.4949  -1.2741   4.2226  104.864   50.164   75.025   35.744 29.83893 61.59607 
1 1 1   10   32   20 o  125.822   31.754   11.188   3.8411   2.5425   9.0974   13.064   4.2373   90.894   45.178  160.750   44.635 -69.85565 63.50866 
1 1 1   10   33    1 o   84.170   27.242  -1.2641   2.9412  -1.4490   4.1462  -1.0769   4.1729   83.233   38.234   85.108   38.816 -1.875214 54.48427 
1 1 1   10   33    3 o  140.014   33.798   7.2199   3.2431   7.8640   4.6555   6.6127   4.5203  145.081   48.181  134.946   47.411 10.13553 67.59634 
1 1 1   10   33    5 o  155.732   35.898   6.4160   3.1911   17.434   7.1591   3.6839   3.5649  202.577   58.621  108.886   41.451 93.69116 71.79624 
1 1 1   10   33    7 o  112.856   33.501   3.2068   2.9993   5.1505   7.0104   2.7713   3.3183  126.225   54.200   99.487   39.391 26.73821 67.00261 
1 1 1   10   33    9 o   91.813   29.910   0.2786   2.6898   0.5562   7.0346   0.2311   2.9110  106.424   49.214   77.202   34.007 29.22139 59.82092 
1 1 1   10   33   11 o  121.920   34.565   2.2277   2.9057   14.715   7.2541  -0.1588   3.1712  167.361   59.928   76.478   34.463 90.88314 69.13085 
1 1 1   10   33   13 o  148.278   39.649   8.5833   3.4177   0.0000   0.0000   8.5833   3.4177  ?   ?   148.278   39.649      ?      ? 
1 1 1   10   33   15 o   93.591   38.966   3.0575   3.4441   0.0000   0.0000   3.0575   3.4441  ?   ?    93.591   38.966      ?      ? 
1 1 1   10   33   17 o   92.179   40.383   3.3523   4.0554   0.0000   0.0000   3.3523   4.0554  ?   ?    92.179   40.383      ?      ? 
1 1 1   10   33   19 o   82.844   28.058   1.8645   3.6388  -2.7950   8.9124   2.7966   3.9861   81.467   41.080   84.222   38.228 -2.755226 56.11541 
1 1 1   10   34    0 o   68.841   31.713   0.6994   4.2694   0.6994   4.2694   0.6994   4.2694   68.841   44.849   68.841   44.849 0.000000 0.000000 
1 1 1   10   34    2 o  197.615   37.582   16.188   4.1870   15.841   5.0866   16.917   7.3739  205.770   44.630  189.460   60.480 16.31024 75.16436 
1 1 1   10   34    4 o  256.803   27.109   23.142   3.8096   19.289   5.3950   26.975   5.3802  228.818   42.920  284.788   33.127 -55.96962 54.21780 
1 1 1   10   34    6 o  200.426   33.887   16.891   3.3334   15.077   7.7605   17.301   3.6913  168.804   61.768  232.048   27.894 -63.24344 67.77462 
1 1 1   10   34    8 o  120.751   35.774   5.5373   3.8278   8.0157   7.2043   4.5624   4.5184  129.904   55.339  111.597   45.350 18.30786 71.54796 
1 1 1   10   34   10 o   93.204   30.253   1.2241   2.8843   2.3218   7.1434   1.0103   3.1527  104.911   48.882   81.497   35.657 23.41444 60.50575 
1 1 1   10   34   12 o  111.276   43.554   5.4033   4.0147   0.0000   0.0000   5.4033   4.0147  ?   ?   111.276   43.554      ?      ? 
1 1 1   10   34   14 o   89.916   38.719   2.8013   3.5964   0.0000   0.0000   2.8013   3.5964  ?   ?    89.916   38.719      ?      ? 
1 1 1   10   34   16 o   79.264   25.931   1.1704   2.4902   2.4119   4.8266   0.7201   2.9069   86.627   40.302   71.901   32.640 14.72633 51.86150 
1 1 1   10   35    1 o   97.102   29.745   2.2611   3.0488   3.0422   4.3242   1.4888   4.2993  101.359   43.017   92.845   41.091 8.513535 59.48930 
1 1 1   10   35    3 o   71.394   24.167  -3.1788   2.8044  -1.6826   4.0361  -4.5755   3.8995   76.746   36.076   66.042   32.166 10.70370 48.33348 
1 1 1   10   35    5 o  120.984   28.974   4.5705   3.7219 -13.4531   6.9258   11.889   4.4134   72.627   36.570  169.340   44.951 -96.71265 57.94772 
1 1 1   10   35    7 o   78.827   24.860   0.5151   2.3178  -2.2595   4.1436   1.7786   2.7961   74.139   35.346   83.515   34.969 -9.375710 49.72099 
1 1 1   10   35    9 o   92.279   30.239   1.2579   3.8887  -3.3253   7.0758   3.2412   4.6547   86.739   42.478   97.820   43.049 -11.08118 60.47805 
1 1 1   10   35   11 o   94.202   45.957   0.7042   8.0535   0.0000   0.0000   0.7042   8.0535  ?   ?    94.202   45.957      ?      ? 
1 1 1   10   35   13 o   90.192   36.788   3.3288   2.9871   0.0000   0.0000   3.3288   2.9871  ?   ?    90.192   36.788      ?      ? 
1 1 1   10   35   15 o   78.625   27.079   0.4918   3.2438   1.3239   7.7898   0.3173   3.5678   85.167   42.241   72.082   33.895 13.08502 54.15879 
1 1 1   10   36    0 o   65.774   29.800   1.4390   3.5688   1.4390   3.5688   1.4390   3.5688   65.774   42.144   65.774   42.144 -0.000000 0.000000 
1 1 1   10   36    2 o  119.304   32.103   6.5116   3.1850   3.8703   4.5530   9.0427   4.4571  101.275   43.588  137.333   47.144 -36.05816 64.20649 
1 1 1   10   36    4 o   90.735   28.678   2.0643   3.0557   1.1855   4.4555   2.8447   4.1988   87.274   39.922   94.195   41.183 -6.921211 57.35688 
1 1 1   10   36    6 o   73.560   24.856  -1.5804   2.8761 -10.7142   6.7284   0.4617   3.1815   71.598   36.051   75.522   34.230 -3.924294 49.71262 
1 1 1   10   36    8 o   74.912   26.023  -2.9113   3.4576  -3.1502   6.5677  -2.8197   4.0668   81.311   40.039   68.513   33.250 12.79823 52.04527 
1 1 1   10   36   10 o   93.303   42.049   3.8217   4.7227   0.0000   0.0000   3.8217   4.7227  ?   ?    93.303   42.049      ?      ? 
1 1 1   10   36   12 o   71.505   25.202  -3.4384   3.7392  -3.8026   7.0605  -3.2965   4.4081   76.608   38.342   66.402   32.718 10.20588 50.40447 
1 1 1   10   37    1 o   84.188   27.458   1.4379   3.0678   1.3804   4.3590   1.4943   4.3184   84.033   38.818   84.342   38.846 -0.3096466 54.91634 
1 1 1   10   37    3 f   83.061   27.169   1.2947   3.0365   1.9579   4.3454   0.6619   4.2449   85.860   39.330   80.262   37.493 5.597733 54.33758 
1 1 1   10   37    5 o   76.414   25.150   0.6547   2.5347  -5.6204   6.5086   1.7765   2.7519   74.665   37.286   78.163   33.763 -3.497971 50.30092 
1 1 1   10   37    7 o   86.275   27.762   2.7058   2.6927   1.3942   6.9533   2.9371   2.9206   86.853   42.443   85.696   35.798 1.156639 55.52433 
1 1 1   10   37    9 f   60.774   29.993  -3.6646   3.7553   0.0000   0.0000  -3.6646   3.7553  ?   ?    60.774   29.993      ?      ? 
1 1 1   10   38    0 o   73.130   33.217   3.3461   4.4685   3.3461   4.4685   3.3461   4.4685   73.130   46.976   73.130   46.976 -0.000000 0.000000 
1 1 1   10   38    2 o   82.408   27.121   2.1865   3.1183   0.9203   4.4545   3.4033   4.3667   77.793   36.964   87.022   39.696 -9.228485 54.24114 
1 1 1   11    0    1 o  713.322   21.997  146.542   12.600  146.542   12.600  146.542   12.600  713.322   31.108  713.322   31.108 0.000000 0.000000 
1 1 1   11    0    3 o  1153.08   15.832  380.440   14.711  380.440   14.711  380.440   14.711  1153.08   22.390  1153.08   22.390 0.000000 0.000000 
1 1 1   11    0    5 o  140.781   17.668   6.1719   1.8176   6.1719   1.8176   6.1719   1.8176  140.781   24.987  140.781   24.987 0.000000 0.000000 
1 1 1   11    0    7 o  279.530   9.2096   22.444   2.0660   22.444   2.0660   22.444   2.0660  279.530   13.024  279.530   13.024 0.000000 0.000000 
1 1 1   11    0    9 o  189.971   12.953   10.591   1.9422   10.591   1.9422   10.591   1.9422  189.971   18.319  189.971   18.319 0.000000 0.000000 
1 1 1   11    0   11 o  883.274   16.052  223.408   11.418  223.408   11.418  223.408   11.418  883.274   22.701  883.274   22.701 -0.000000 0.000000 
1 1 1   11    0   13 o  224.861   14.599   14.802   2.5963   14.802   2.5963   14.802   2.5963  224.861   20.646  224.861   20.646 -0.000000 0.000000 
1 1 1   11    0   15 o  664.744   13.300  126.449   7.1177  126.449   7.1177  126.449   7.1177  664.744   18.810  664.744   18.810 0.000000 0.000000 
1 1 1   11    0   17 o  481.559   22.931   67.237   8.8133   67.237   8.8133   67.237   8.8133  481.559   32.430  481.559   32.430 -0.000000 0.000000 
1 1 1   11    0   19 o  101.865   29.363   4.1468   2.3714   4.1468   2.3714   4.1468   2.3714  101.865   41.526  101.865   41.526 0.000000 0.000000 
1 1 1   11    0   21 o   87.926   38.480   1.6507   5.4077   1.6507   5.4077   1.6507   5.4077   87.926   54.419   87.926   54.419 -0.000000 0.000000 
1 1 1   11    0   23 o  385.036   19.020   43.103   5.8403   43.103   5.8403   43.103   5.8403  385.036   26.899  385.036   26.899 -0.000000 0.000000 
1 1 1   11    0   25 o  441.498   12.324   56.013   4.3727   56.013   4.3727   56.013   4.3727  441.498   17.429  441.498   17.429 -0.000000 0.000000 
1 1 1   11    0   27 o  352.750   16.322   36.238   4.5979   36.238   4.5979   36.238   4.5979  352.750   23.083  352.750   23.083 0.000000 0.000000 
1 1 1   11    0   29 o  171.920   26.803   9.8062   3.2511   9.8062   3.2511   9.8062   3.2511  171.920   37.905  171.920   37.905 0.000000 0.000000 
1 1 1   11    0   31 o   54.333   24.848   0.1264   2.5575   0.1264   2.5575   0.1264   2.5575   54.333   35.141   54.333   35.141 0.000000 0.000000 
1 1 1   11    0   33 o   77.061   32.232   2.5348   3.4522   2.5348   3.4522   2.5348   3.4522   77.061   45.583   77.061   45.583 0.000000 0.000000 
1 1 1   11    0   35 o   50.013   24.410  -1.6070   3.3049  -1.6070   3.3049  -1.6070   3.3049   50.013   34.521   50.013   34.521 0.000000 0.000000 
1 1 1   11    0   37 o   61.551   27.867   1.5347   3.1142   1.5347   3.1142   1.5347   3.1142   61.551   39.410   61.551   39.410 0.000000 0.000000 
1 1 1   11    1    0 o  500.865   22.551   72.721   9.0250   72.721   9.0250   72.721   9.0250  500.865   31.892  500.865   31.892 0.000000 0.000000 
1 1 1   11    1    2 o  744.364   18.956  159.260   7.5631  159.703   9.2446  158.361   13.152  746.774   21.707  741.955   31.082 4.818848 37.91182 
1 1 1   11    1    4 o  1357.06   19.876  530.907   14.480  523.609   25.048  534.570   17.746  1348.29   32.577  1365.83   22.783 -17.54443 39.75280 
1 1 1   11    1    6 o  492.050   9.9918   68.906   2.7979   73.454   4.1224   65.023   3.8097  507.034   14.257  477.066   14.003 29.96768 19.98352 
1 1 1   11    1    8 o  172.574   20.480   8.3965   1.6943   9.3623   3.4698   8.0941   1.9415  177.012   35.606  168.137   20.248 8.874359 40.96038 
1 1 1   11    1   10 o  526.935   14.162   77.404   3.9844   73.856   4.7980   85.287   7.1516  508.293   16.552  545.577   22.985 -37.28427 28.32496 
1 1 1   11    1   12 o  528.637   10.862   79.854   3.2739   81.795   4.6289   77.911   4.6310  535.078   15.169  522.195   15.551 12.88367 21.72404 
1 1 1   11    1   14 o  982.884   16.048  276.098   8.9887  266.356   12.432  286.769   13.012  964.757   22.596  1001.01   22.793 -36.25433 32.09520 
1 1 1   11    1   16 o  1062.51   13.118  322.636   7.9475  327.401   11.221  317.838   11.258  1070.40   18.382  1054.61   18.719 15.78992 26.23510 
1 1 1   11    1   18 o  924.004   30.497  244.985   16.070  244.985   16.070   0.0000   0.0000  924.004   30.497  ?   ?       ?      ? 
1 1 1   11    1   20 o  314.782   22.118   29.207   3.5494   30.157   4.2099   26.872   6.6006  324.479   22.750  305.085   37.938 19.39438 44.23634 
1 1 1   11    1   22 o  439.359   13.570   55.332   3.3910   54.771   4.9660   55.823   4.6417  437.192   19.918  441.526   18.434 -4.334625 27.13935 
1 1 1   11    1   24 o  120.220   30.348   2.3921   2.6738   0.1456   3.2777   6.8606   4.6226   88.040   37.411  152.402   47.795 -64.36205 60.69563 
1 1 1   11    1   26 o  173.715   23.702   9.3390   2.2532   11.267   3.0274   6.9449   3.3737  196.993   26.948  150.437   39.000 46.55602 47.40444 
1 1 1   11    1   28 o  142.199   22.640   6.3684   2.2360  -0.3401   3.3531   11.741   3.0006   84.396   36.853  200.003   26.307 -115.6074 45.27973 
1 1 1   11    1   30 o   80.812   25.163  -0.3444   2.2325  -0.3198   3.4038  -0.3630   2.9574   83.676   36.819   77.948   34.309 5.727715 50.32637 
1 1 1   11    1   32 o  199.891   26.156   13.263   2.8867   15.017   3.9864   11.330   4.1857  218.356   32.013  181.425   41.373 36.93034 52.31197 
1 1 1   11    1   34 o  115.595   27.985   4.9608   2.2982   3.4305   3.6436   5.9719   2.9617  103.439   41.175  127.751   37.912 -24.31241 55.97092 
1 1 1   11    1   36 o   82.394   25.184   1.7158   2.1456   1.2897   2.8316   2.2903   3.2881   77.969   33.962   86.818   37.195 -8.849037 50.36732 
1 1 1   11    2    1 o  804.967   31.158  186.410   14.304  186.410   14.304   0.0000   0.0000  804.967   31.158  ?   ?       ?      ? 
1 1 1   11    2    3 o  195.742   23.833   12.513   1.8528   13.129   2.0319   9.4697   4.5129  214.302   16.626  177.181   44.673 37.12097 47.66647 
1 1 1   11    2    5 o  933.348   14.269  249.340   7.4293  249.146   9.5597  249.637   11.805  933.275   17.961  933.422   22.177 -0.1475830 28.53827 
1 1 1   11    2    7 o  840.676   15.706  202.518   7.5296  202.012   10.693  203.016   10.604  839.612   22.333  841.740   22.091 -2.128601 31.41257 
1 1 1   11    2    9 o  616.906   16.217  109.071   5.7050  109.836   8.0497  108.299   8.0866  619.098   22.800  614.714   23.068 4.384460 32.43357 
1 1 1   11    2   11 o  749.821   12.980  160.677   5.5476  164.292   7.9989  157.325   7.7007  757.925   18.506  741.716   18.205 16.20905 25.95968 
1 1 1   11    2   13 o  359.438   15.497   35.597   2.8018   34.152   3.2371   39.912   5.5941  345.728   16.418  373.148   26.288 -27.42007 30.99398 
1 1 1   11    2   15 o  380.952   10.187   41.988   2.1756   45.141   2.8942   37.891   3.2988  397.669   12.762  364.235   15.881 33.43451 20.37360 
1 1 1   11    2   17 o  546.937   29.989   85.789   9.3540   85.789   9.3540   0.0000   0.0000  546.937   29.989  ?   ?       ?      ? 
1 1 1   11    2   19 o  148.716   26.431   5.8765   2.0471   4.9051   2.3845   8.5996   3.9923  128.192   32.555  169.240   41.647 -41.04831 52.86172 
1 1 1   11    2   21 o  360.467   15.678   36.691   3.1779   40.433   5.0144   34.179   4.1083  375.497   23.416  345.438   20.854 30.05930 31.35654 
1 1 1   11    2   23 o  547.209   11.801   85.297   3.6289   83.293   4.7191   88.196   5.6764  539.556   15.337  554.862   17.939 -15.30688 23.60127 
1 1 1   11    2   25 o  516.931   17.534   79.831   4.8323   85.629   5.9996   69.122   8.1532  545.878   19.272  487.984   29.298 57.89389 35.06799 
1 1 1   11    2   27 o  308.847   16.356   28.945   2.7134   23.257   4.3908   32.459   3.4513  282.115   27.291  335.580   18.034 -53.46463 32.71153 
1 1 1   11    2   29 o  138.398   28.426   6.1519   2.4103   4.9090   3.5776   7.1850   3.2617  126.647   42.245  150.150   38.046 -23.50216 56.85172 
1 1 1   11    2   31 o   77.176   22.683  -0.6111   2.0075  -6.2782   3.3562   2.5460   2.5051   58.447   28.750   95.905   35.094 -37.45781 45.36648 
1 1 1   11    2   33 o  135.768   30.521   6.7518   2.6538   6.7866   3.9058   6.7220   3.6169  135.591   44.089  135.945   42.219 -0.3544617 61.04292 
1 1 1   11    2   35 o   87.164   26.349   1.6318   2.2706   3.0517   3.6637   0.7463   2.8933   96.891   40.252   77.436   34.013 19.45535 52.69833 
1 1 1   11    2   37 o   79.765   23.607   1.0383   2.1539   4.7274   2.9061  -3.4585   3.2085  101.548   37.687   57.983   28.438 43.56590 47.21305 
1 1 1   11    3    2 o  498.634   14.678   70.918   4.1252   72.900   6.3770   69.491   5.4095  504.463   22.166  492.805   19.248 11.65802 29.35699 
1 1 1   11    3    4 o  536.928   17.117   82.458   4.0063   82.339   4.4176   83.010   9.5074  536.821   14.430  537.035   31.043 -0.2142334 34.23312 
1 1 1   11    3    6 o  1144.25   15.819  375.329   10.319  383.656   14.533  366.863   14.655  1157.14   22.024  1131.36   22.714 25.78137 31.63777 
1 1 1   11    3    8 o  620.223   14.557  109.849   5.0157  108.836   6.3929  111.471   8.0896  616.800   18.174  623.647   22.745 -6.847046 29.11465 
1 1 1   11    3   10 o  658.731   16.067  124.289   6.0349  123.062   8.4521  125.565   8.6197  655.430   22.612  662.032   22.831 -6.602600 32.13360 
1 1 1   11    3   12 o  442.454   8.8697   54.766   2.2116   63.430   3.4686   48.829   2.8710  471.335   12.904  413.574   12.172 57.76077 17.73938 
1 1 1   11    3   14 o  1208.29   15.081  417.882   10.057  418.712   12.720  416.498   16.424  1210.37   18.429  1206.20   23.876 4.162598 30.16121 
1 1 1   11    3   16 o  1282.56   21.507  464.922   12.854  459.958   14.445  483.799   28.172  1268.48   19.968  1296.65   38.098 -28.17017 43.01394 
1 1 1   11    3   18 o  520.319   22.640   77.889   6.6819   79.246   9.0402   76.255   9.9201  525.529   30.164  515.108   33.769 10.42139 45.27960 
1 1 1   11    3   20 o  281.651   16.313   22.416   2.5374   21.534   3.1826   23.954   4.2035  274.303   20.345  288.998   25.505 -14.69440 32.62540 
1 1 1   11    3   22 o  344.813   13.571   33.613   2.6291   36.603   4.1547   31.617   3.3953  357.326   20.389  332.299   17.916 25.02643 27.14213 
1 1 1   11    3   24 o  235.185   17.081   15.866   2.2350   21.034   3.3104   11.537   3.0298  270.483   21.461  199.888   26.579 70.59537 34.16148 
1 1 1   11    3   26 o  228.472   24.791   16.358   2.9769   12.057   4.5787   19.508   3.9180  197.751   41.903  259.194   26.506 -61.44348 49.58241 
1 1 1   11    3   28 o  197.405   25.703   12.100   2.7786   16.209   3.9914   8.2367   3.8704  233.874   29.926  160.937   41.798 72.93709 51.40629 
1 1 1   11    3   30 o   78.691   24.873  -0.9665   2.2881   0.0679   3.3890  -1.8329   3.1017   85.694   37.241   71.687   32.981 14.00729 49.74605 
1 1 1   11    3   32 o   94.994   27.951   1.4986   2.4525   2.6967   3.9387   0.7399   3.1342  104.891   42.442   85.097   36.382 19.79392 55.90148 
1 1 1   11    3   34 o  117.856   28.158   4.8714   2.3379   7.3966   3.5131   2.8639   3.1322  138.956   41.303   96.755   38.283 42.20081 56.31660 
1 1 1   11    3   36 o   65.978   22.021  -1.3200   2.1531  -1.7681   2.9149  -0.7821   3.1942   62.581   29.783   69.375   32.445 -6.794220 44.04230 
1 1 1   11    4    1 o  273.273   32.969   21.515   5.1380   0.0000   0.0000   21.515   5.1380  ?   ?   273.273   32.969      ?      ? 
1 1 1   11    4    3 o  1123.27   19.231  361.943   11.597  361.093   14.180  363.659   20.154  1122.64   22.149  1123.91   31.444 -1.265503 38.46159 
1 1 1   11    4    5 o  1045.40   22.011  314.579   13.120  311.818   18.368  317.454   18.747  1040.77   30.947  1050.02   31.308 -9.247803 44.02130 
1 1 1   11    4    7 o  553.746   18.380   87.528   4.9780   87.062   5.7158   88.995   10.129  551.654   18.168  555.838   31.955 -4.183838 36.75913 
1 1 1   11    4    9 f  821.455   14.431  192.234   6.6038  188.935   8.4432  197.432   10.598  812.744   18.216  830.166   22.386 -17.42230 28.86116 
1 1 1   11    4   11 o  718.240   14.733  147.433   5.8934  148.558   9.4227  146.709   7.5531  720.212   22.941  716.268   18.491 3.943909 29.46568 
1 1 1   11    4   13 o  754.995   15.192  163.030   6.4144  162.789   8.2939  163.388   10.119  754.551   19.274  755.439   23.487 -0.8886108 30.38303 
1 1 1   11    4   15 o  155.986   24.792   7.3783   2.1393   8.1076   2.8275   6.4018   3.2718  165.453   31.108  146.518   38.612 18.93483 49.58462 
1 1 1   11    4   17 o  643.078   21.313  118.279   7.8049  111.052   10.718  126.438   11.388  622.218   30.205  663.939   30.077 -41.72052 42.62568 
1 1 1   11    4   19 o  514.166   11.495   75.509   3.3698   74.011   4.7070   77.085   4.8264  508.938   16.217  519.393   16.294 -10.45538 22.98943 
1 1 1   11    4   21 o  194.633   20.417   10.954   2.2548   10.035   3.2561   11.801   3.1256  186.639   30.592  202.628   27.048 -15.98891 40.83433 
1 1 1   11    4   23 o  698.078   11.142  139.392   4.4340  142.436   6.3713  136.534   6.1747  705.450   15.837  690.705   15.676 14.74475 22.28303 
1 1 1   11    4   25 f  742.550   12.868  158.763   5.4332  170.699   7.6262  146.460   7.7425  771.210   17.340  713.891   19.018 57.31915 25.73591 
1 1 1   11    4   27 o  271.075   26.003   21.699   3.9637   20.508   5.1370   23.451   6.2309  262.800   34.276  279.349   39.112 -16.54886 52.00598 
1 1 1   11    4   29 o   73.854   23.459  -1.1774   2.0772  -2.0899   2.8943  -0.2081   2.9828   67.973   31.481   79.734   34.790 -11.76120 46.91887 
1 1 1   11    4   31 o  104.790   27.485   2.3327   2.2385   5.4870   3.6660   0.4574   2.8267  128.775   42.755   80.805   34.549 47.96928 54.96951 
1 1 1   11    4   33 o   93.321   28.047   1.5345   2.6470  -0.3226   4.3335   2.6399   3.3433   88.237   39.975   98.406   39.353 -10.16959 56.09498 
1 1 1   11    4   35 o   79.245   25.257   0.2172   2.4979   1.7870   3.0968  -2.7059   4.2259   85.241   36.297   73.249   35.130 11.99188 50.51322 
1 1 1   11    4   37 o   90.967   29.264   3.6110   3.2023   4.8227   5.4860   2.9848   3.9439   94.989   43.762   86.945   38.863 8.044456 58.52700 
1 1 1   11    5    2 o  302.298   22.956   26.192   3.9575   26.192   3.9575   0.0000   0.0000  302.298   22.956  ?   ?       ?      ? 
1 1 1   11    5    4 o  326.477   14.889   30.250   2.7410   28.787   3.5808   32.319   4.2596  317.119   19.800  335.835   22.241 -18.71570 29.77725 
1 1 1   11    5    6 o  660.135   17.867  125.143   5.8183  125.236   6.7185  124.866   11.636  661.676   17.805  658.594   30.982 3.082397 35.73325 
1 1 1   11    5    8 o  210.809   23.161   11.338   1.4772   11.035   1.5340   15.200   5.4777  196.552   13.686  225.066   44.254 -28.51424 46.32220 
1 1 1   11    5   10 o  693.372   12.916  137.463   5.1066  139.941   7.2740  135.055   7.1708  699.536   18.233  687.208   18.297 12.32745 25.83113 
1 1 1   11    5   12 o  557.267   14.887   87.285   4.4912   93.774   7.7977   84.063   5.4940  572.223   23.895  542.311   17.764 29.91235 29.77479 
1 1 1   11    5   14 o  826.141   13.962  193.716   6.2810  190.482   7.7691  199.819   10.672  816.565   16.684  835.717   22.392 -19.15179 27.92349 
1 1 1   11    5   16 o  608.080   18.709  107.811   6.2895   97.360   9.9389  114.790   8.1227  582.686   29.910  633.473   22.484 -50.78711 37.41833 
1 1 1   11    5   18 o  146.421   23.165   6.0635   2.0189   2.8152   2.7088   10.123   3.0281  104.967   36.711  187.875   28.263 -82.90800 46.33038 
1 1 1   11    5   20 o  247.080   19.315   17.424   2.6466   17.081   3.3557   17.988   4.3049  244.079   24.108  250.081   30.185 -6.002014 38.63046 
1 1 1   11    5   22 o  176.201   22.516   9.2065   2.1922   10.848   3.0936   7.5506   3.1070  194.029   27.958  158.374   35.301 35.65477 45.03154 
1 1 1   11    5   24 o  138.884   27.031   5.8491   2.2391   7.0089   3.1104   4.6014   3.2260  151.892   36.386  125.876   39.984 26.01641 54.06181 
1 1 1   11    5   26 o  155.839   26.665   7.4765   2.3446   7.1915   3.2963   7.7684   3.3355  152.786   37.991  158.892   37.427 -6.106277 53.33007 
1 1 1   11    5   28 o  126.860   35.391   2.8511   4.0127   6.6211   5.6681  -0.9367   5.6815  148.246   52.985  105.475   46.931 42.77094 70.78130 
1 1 1   11    5   30 o  325.004   16.397   32.239   2.8843   27.821   4.6947   34.918   3.6556  304.367   27.047  345.641   18.546 -41.27383 32.79423 
1 1 1   11    5   32 o  125.621   38.513   1.8455   3.2149   12.410   10.029   0.6355   3.3941  164.642   67.310   86.599   37.451 78.04287 77.02699 
1 1 1   11    5   34 o  132.531   31.027   5.8099   2.9956   12.573   4.8765   1.7108   3.7964  173.488   47.772   91.574   39.606 81.91402 62.05474 
1 1 1   11    5   36 o   92.886   27.284   0.4892   2.9848   8.2173   4.2336  -7.1483   4.2088  126.125   45.703   59.647   29.816 66.47801 54.56846 
1 1 1   11    6    3 o  564.863   13.263   90.605   4.0429   93.447   7.0008   89.184   4.9521  571.146   21.493  558.581   15.546 12.56525 26.52604 
1 1 1   11    6    5 o  186.661   16.665   10.488   1.4954   10.966   1.7273   9.0568   2.9879  195.874   15.464  177.448   29.526 18.42612 33.33047 
1 1 1   11    6    7 o  359.243   16.637   30.270   2.4194   27.895   2.5815   47.412   6.9362  312.461   14.487  406.026   29.956 -93.56427 33.27488 
1 1 1   11    6    9 o  272.624   13.563   22.107   2.0030   18.154   3.2163   24.612   2.5601  251.762   22.401  293.486   15.296 -41.72438 27.12545 
1 1 1   11    6   11 o  520.453   14.950   76.544   4.3225   73.447   5.4726   81.682   7.0481  506.810   18.935  534.097   23.140 -27.28699 29.89920 
1 1 1   11    6   13 o  590.091   14.981   98.043   4.7828  104.463   8.2994   94.850   5.8523  604.063   24.092  576.119   17.812 27.94409 29.96164 
1 1 1   11    6   15 o  695.673   16.634  138.760   6.5859  131.552   9.4447  145.583   9.1884  677.956   24.428  713.390   22.585 -35.43390 33.26888 
1 1 1   11    6   17 o  560.478   21.643   89.724   6.8918   85.602   9.2756   94.803   10.297  546.273   29.774  574.684   31.419 -28.41132 43.28612 
1 1 1   11    6   19 o  582.672   13.163   96.959   4.3165   97.930   6.6821   96.264   5.6546  585.035   20.028  580.308   17.086 4.726990 26.32620 
1 1 1   11    6   21 o  452.041   13.723   58.861   3.3231   57.558   5.7616   59.510   4.0679  447.913   22.556  456.169   15.637 -8.255890 27.44585 
1 1 1   11    6   23 o  250.984   16.725   18.140   2.3903   18.428   3.3066   17.824   3.4592  253.145   22.904  248.823   24.378 4.321716 33.44990 
1 1 1   11    6   25 o  502.805   12.937   72.561   3.6927   71.796   4.9776   73.497   5.5069  500.034   17.455  505.576   19.100 -5.541595 25.87452 
1 1 1   11    6   27 o  143.864   27.436   6.2138   2.3249   8.5162   3.5743   4.5254   3.0608  165.033   38.656  122.696   38.944 42.33678 54.87182 
1 1 1   11    6   29 o  110.093   32.312   1.3882   3.5204   4.1700   4.7490  -2.0052   5.2450  124.687   47.753   95.499   43.541 29.18836 64.62334 
1 1 1   11    6   31 o  123.546   30.482   4.5311   2.7100   7.3605   4.1777   2.4756   3.5607  145.166   45.422  101.926   40.663 43.23950 60.96423 
1 1 1   11    6   33 o   99.879   29.195   2.5362   2.7326   3.4619   3.8187   1.5648   3.9118  105.855   42.148   93.902   40.408 11.95288 58.38916 
1 1 1   11    6   35 o   85.961   25.824   1.4018   2.3022  -0.7793   3.1040   4.0683   3.4321   69.995   32.482  101.927   40.155 -31.93165 51.64778 
1 1 1   11    6   37 o   82.410   26.130   1.5412   2.6537   5.4757   3.9597  -1.6667   3.5754   99.399   41.616   65.420   31.611 33.97843 52.26081 
1 1 1   11    7    2 o  343.967   15.868   33.925   3.1097   35.666   4.4010   32.190   4.3946  352.825   21.872  335.108   22.995 17.71658 31.73617 
1 1 1   11    7    4 o  466.270   15.463   62.326   4.1090   64.500   5.7854   60.115   5.8369  474.525   21.379  458.015   22.346 16.51010 30.92598 
1 1 1   11    7    6 o  954.370   15.470  260.905   8.4197  261.158   11.918  260.652   11.897  954.831   21.886  953.909   21.869 0.9223633 30.93959 
1 1 1   11    7    8 o  452.775   17.994   56.085   4.0313   53.541   4.6129   64.308   8.2932  432.646   18.696  472.904   30.751 -40.25787 35.98833 
1 1 1   11    7   10 o  571.711   18.387   96.116   4.6465   97.586   5.1662   89.892   10.630  584.444   15.500  558.979   33.347 25.46417 36.77349 
1 1 1   11    7   12 o  837.124   18.051  199.663   6.9462  198.913   7.7810  202.605   15.415  834.420   16.351  839.828   32.186 -5.407776 36.10134 
1 1 1   11    7   14 o  967.393   15.941  267.718   8.7932  261.711   12.407  273.782   12.464  956.461   22.746  978.326   22.340 -21.86548 31.88209 
1 1 1   11    7   16 o  702.662   31.427  141.693   12.593   0.0000   0.0000  141.693   12.593  ?   ?   702.662   31.427      ?      ? 
1 1 1   11    7   18 o  393.766   15.545   44.166   3.4805   47.143   5.1695   41.698   4.7072  405.819   22.337  381.712   21.624 24.10767 31.08911 
1 1 1   11    7   20 o  492.481   15.403   69.124   4.3117   62.003   5.8752   77.436   6.3475  465.102   22.150  519.860   21.410 -54.75812 30.80651 
1 1 1   11    7   22 o  233.963   21.116   17.461   2.4529   12.069   4.0948   20.478   3.0633  200.718   37.141  267.208   20.103 -66.48969 42.23235 
1 1 1   11    7   24 o  229.087   18.029   14.891   2.2916   16.338   3.7681   14.041   2.8868  237.469   27.824  220.704   22.935 16.76485 36.05853 
1 1 1   11    7   26 o  136.061   26.570   5.4533   2.0859   6.9062   3.4115   4.5858   2.6361  149.247   39.475  122.874   35.576 26.37321 53.14037 
1 1 1   11    7   28 o  109.994   26.339   3.1111   2.0621   5.4741   3.1283   1.2956   2.7421  131.876   38.921   88.112   35.497 43.76420 52.67725 
1 1 1   11    7   30 o  194.726   32.064   11.867   3.2696   16.284   6.0401   10.037   3.8885  215.358   50.120  174.093   40.006 41.26532 64.12888 
1 1 1   11    7   32 o   60.074   20.530  -3.8841   2.1056  -4.1900   2.8075  -3.4907   3.1835   56.323   27.401   63.825   30.579 -7.501728 41.05952 
1 1 1   11    7   34 o   96.543   27.571   2.6318   2.5058   0.1503   3.6526   4.8383   3.4442   81.155   36.739  111.930   41.120 -30.77490 55.14206 
1 1 1   11    7   36 o   63.021   21.049  -1.5841   2.0380   0.4021   2.8642  -3.6211   2.9006   71.019   32.301   55.022   26.997 15.99701 42.09735 
1 1 1   11    8    1 o  554.824   21.467   88.602   6.7869   84.223   9.5613   93.050   9.6355  540.896   30.996  568.753   29.707 -27.85663 42.93318 
1 1 1   11    8    3 o  390.827   15.639   43.781   3.4843   44.804   4.9050   42.739   4.9505  395.469   21.749  386.185   22.478 9.284393 31.27731 
1 1 1   11    8    5 o  497.968   15.327   71.053   4.3499   73.818   6.1478   68.280   6.1556  507.719   21.233  488.216   22.109 19.50296 30.65335 
1 1 1   11    8    7 o  1160.00   19.208  384.136   11.905  380.306   14.462  392.187   20.967  1152.39   22.006  1167.61   31.488 -15.22852 38.41503 
1 1 1   11    8    9 o  1775.88   19.197  887.962   17.655  865.545   20.843  944.888   33.215  1739.10   21.016  1812.67   32.130 -73.57031 38.39302 
1 1 1   11    8   11 o  555.781   21.793   89.764   6.4300   91.728   7.8305   85.699   11.267  565.957   24.261  545.606   36.209 20.35138 43.58566 
1 1 1   11    8   13 o  443.606   24.546   57.879   5.6842   60.032   6.8595   53.160   10.155  457.816   26.273  429.396   41.469 28.42035 49.09153 
1 1 1   11    8   15 o  127.765   27.845   2.8723   2.8830  -3.5487   4.0946   9.1856   4.0600   80.461   37.327  175.069   41.329 -94.60739 55.69037 
1 1 1   11    8   17 o  325.535   17.743   32.409   3.0750   21.149   4.6441   41.201   4.1034  271.448   30.000  379.622   18.954 -108.1734 35.48584 
1 1 1   11    8   19 o  489.431   17.497   69.237   4.3021   67.568   8.3223   69.846   5.0258  484.690   30.108  494.172   17.833 -9.481995 34.99320 
1 1 1   11    8   21 o  252.520   25.001   19.213   3.3955   23.617   4.6952   14.384   4.9164  286.211   28.766  218.830   40.899 67.38132 50.00190 
1 1 1   11    8   23 o  304.870   15.130   26.723   2.6241   26.608   3.5847   26.856   3.8517  304.252   20.660  305.488   22.109 -1.235779 30.25922 
1 1 1   11    8   25 o  319.801   12.631   29.550   2.2925   26.967   3.2995   31.961   3.1876  306.064   18.904  333.538   16.758 -27.47345 25.26217 
1 1 1   11    8   27 o  249.284   16.805   17.882   2.3701   15.378   3.1454   21.171   3.6051  229.330   24.050  269.238   23.479 -39.90776 33.61095 
1 1 1   11    8   29 o   79.065   24.007   0.1706   1.9563   0.7271   2.7317  -0.4154   2.8030   82.579   34.569   75.550   33.321 7.028748 48.01355 
1 1 1   11    8   31 o  126.890   41.748  -0.0249   7.3275   0.3308   10.212  -0.4025   10.520  127.221   58.995  126.558   59.087 0.6628189 83.49654 
1 1 1   11    8   33 o   60.967   20.809  -3.5154   2.1404  -3.0019   3.2617  -3.9037   2.8366   65.207   31.163   56.726   27.585 8.480438 41.61787 
1 1 1   11    8   35 o   70.870   22.876  -0.3501   2.1249  -2.2101   3.1425   1.2168   2.8843   63.611   30.451   78.129   34.147 -14.51738 45.75220 
1 1 1   11    9    2 o  1153.85   22.076  383.164   14.527  381.353   20.527  384.981   20.561  1151.11   31.269  1156.60   31.173 -5.495117 44.15268 
1 1 1   11    9    4 o  945.584   15.468  256.087   8.3409  257.393   11.800  254.783   11.792  948.003   21.826  943.165   21.923 4.838318 30.93519 
1 1 1   11    9    6 o  263.801   12.823   17.372   1.4837   24.073   3.7546   16.132   1.6151  289.896   22.710  237.705   11.914 52.19070 25.64593 
1 1 1   11    9    8 o  1103.24   15.591  348.478   9.8084  353.852   13.856  343.081   13.886  1111.80   21.854  1094.67   22.244 17.12903 31.18281 
1 1 1   11    9   10 o  319.908   22.183   26.917   3.2550   25.390   3.6022   33.712   7.5990  297.902   21.203  341.914   38.972 -44.01202 44.36617 
1 1 1   11    9   12 o  893.797   19.627  226.274   9.1831  222.312   10.945  235.695   16.877  881.604   21.770  905.990   32.665 -24.38605 39.25482 
1 1 1   11    9   14 o  503.668   22.475   74.224   5.4803   75.560   6.3009   70.072   11.106  514.025   21.494  493.310   39.477 20.71426 44.94947 
1 1 1   11    9   16 o  946.233   32.370  257.178   17.468   0.0000   0.0000  257.178   17.468  ?   ?   946.233   32.370      ?      ? 
1 1 1   11    9   18 o  196.468   25.605   13.292   2.8313   2.7404   4.2482   21.724   3.7977  117.628   45.137  275.307   24.188 -157.6790 51.20993 
1 1 1   11    9   20 o  907.555   15.002  236.813   7.7277  228.562   11.381  243.870   10.526  892.572   22.359  922.539   20.007 -29.96667 30.00372 
1 1 1   11    9   22 o  377.314   29.427   42.640   4.6880   40.340   11.324   43.116   5.1500  367.487   54.035  387.141   23.326 -19.65396 58.85501 
1 1 1   11    9   24 o  298.088   16.554   25.681   2.8094   25.062   4.0626   26.249   3.8891  294.514   24.188  301.661   22.607 -7.146912 33.10802 
1 1 1   11    9   26 o  170.097   24.833   10.400   2.7861   17.257   3.5621  -0.4036   4.4715  243.004   25.704   97.190   42.496 145.8139 49.66508 
1 1 1   11    9   28 o  127.049   28.919   5.0969   2.4204   3.8055   3.7459   6.0225   3.1712  116.911   42.894  137.186   38.800 -20.27470 57.83846 
1 1 1   11    9   30 o  109.295   28.928   3.2578   2.5845   0.7055   4.0297   5.0413   3.3686   94.539   40.846  124.051   40.975 -29.51240 57.85622 
1 1 1   11    9   32 o  113.094   35.808   2.1305   4.7710   3.8911   6.8946   0.5129   6.6089  120.066   52.627  106.121   48.572 13.94510 71.61543 
1 1 1   11    9   34 o   97.454   27.316   3.3106   2.4053   0.7676   4.0817   4.6635   2.9772   85.607   38.788  109.301   38.471 -23.69415 54.63125 
1 1 1   11    9   36 o   84.279   25.614   2.6155   2.2383   3.3024   3.1075   1.8748   3.2268   88.771   36.991   79.787   35.441 8.983498 51.22897 
1 1 1   11   10    1 o  757.473   30.290  164.984   13.085  164.984   13.085   0.0000   0.0000  757.473   30.290  ?   ?       ?      ? 
1 1 1   11   10    3 o  494.901   21.642   70.416   6.1075   71.486   8.7065   69.380   8.5698  498.600   30.619  491.202   30.593 7.397614 43.28340 
1 1 1   11   10    5 o  736.398   15.265  155.254   6.4107  156.728   9.0790  153.788   9.0532  739.893   21.517  732.902   21.660 6.991638 30.53089 
1 1 1   11   10    7 o  403.606   16.686   46.624   3.8387   44.562   5.3577   48.798   5.5027  394.427   23.819  412.784   23.375 -18.35672 33.37277 
1 1 1   11   10    9 o  236.713   18.239   16.114   2.4488   18.030   3.4623   14.197   3.4640  250.912   24.196  222.515   27.298 28.39635 36.47780 
1 1 1   11   10   11 o  806.177   20.269  185.552   8.8024  183.964   10.782  188.724   15.243  801.738   23.582  810.617   32.972 -8.878601 40.53724 
1 1 1   11   10   13 o  802.308   20.862  180.714   9.2044  170.875   11.441  198.765   15.497  772.487   25.971  832.130   32.655 -59.64252 41.72376 
1 1 1   11   10   15 o  242.958   45.418   17.600   6.0616   0.0000   0.0000   17.600   6.0616  ?   ?   242.958   45.418      ?      ? 
1 1 1   11   10   17 o  664.216   15.912  125.189   5.8910  121.158   7.5149  131.617   9.4883  650.734   20.250  677.698   24.550 -26.96417 31.82435 
1 1 1   11   10   19 o  749.818   13.663  160.466   5.6048  162.831   9.3868  159.156   6.9870  753.664   21.840  745.973   16.424 7.690918 27.32614 
1 1 1   11   10   21 o  480.164   20.076   65.930   5.3175   68.865   8.7876   64.235   6.6791  487.845   31.586  472.483   24.788 15.36182 40.15100 
1 1 1   11   10   23 o  379.124   16.095   41.697   3.4521   38.826   5.1041   44.118   4.6867  366.711   24.406  391.537   20.990 -24.82596 32.19036 
1 1 1   11   10   25 o  299.165   15.114   26.149   2.5317   27.417   3.3308   24.415   3.8961  308.303   18.944  290.027   23.556 18.27637 30.22862 
1 1 1   11   10   27 o  179.223   25.182   10.122   2.5044   12.240   3.4549   7.7760   3.6356  202.600   29.902  155.846   40.527 46.75467 50.36409 
1 1 1   11   10   29 o   81.559   24.815   0.0553   2.1506  -1.5567   3.1952   1.3904   2.9078   73.930   33.814   89.189   36.328 -15.25974 49.62969 
1 1 1   11   10   31 o  158.016   28.157   8.7023   2.5369   8.2393   3.5328   9.1953   3.6454  153.469   39.969  162.564   39.671 -9.095291 56.31449 
1 1 1   11   10   33 f  128.802   38.083   7.2099   4.8667   11.975   7.0902   2.9654   6.6920  149.126   58.015  108.478   49.351 40.64857 76.16636 
1 1 1   11   10   35 o   68.468   23.031  -1.4302   2.2707   0.3742   3.9240  -2.3387   2.7843   78.479   36.454   58.456   28.158 20.02290 46.06287 
1 1 1   11   11    2 f  601.549   18.731  103.494   6.0731  104.782   10.493  102.845   7.4474  603.765   30.473  599.333   21.789 4.432556 37.46191 
1 1 1   11   11    4 o  527.875   18.937   80.017   5.3588   80.184   6.5497   79.679   9.3200  529.249   21.701  526.500   31.040 2.749146 37.87347 
1 1 1   11   11    6 o  398.041   16.475   45.386   3.7358   42.772   5.2626   48.042   5.3041  386.440   23.879  409.641   22.705 -23.20129 32.95039 
1 1 1   11   11    8 o  474.539   12.965   62.727   3.1895   68.300   6.0241   60.557   3.7597  488.583   21.620  460.494   14.316 28.08841 25.93073 
1 1 1   11   11   10 o  325.681   11.118   30.368   2.0599   32.108   2.8749   28.533   2.9530  335.312   15.034  316.050   16.384 19.26266 22.23622 
1 1 1   11   11   12 o  491.072   13.585   67.429   3.6719   63.558   4.5669   74.507   6.1752  471.695   16.977  510.449   21.213 -38.75369 27.17042 
1 1 1   11   11   14 o  286.202   28.772   23.486   4.6961   0.0000   0.0000   23.486   4.6961  ?   ?   286.202   28.772      ?      ? 
1 1 1   11   11   16 o  564.144   26.837   94.342   8.3882   76.167   12.600  108.810   11.242  513.062   43.062  615.226   32.041 -102.1642 53.67448 
1 1 1   11   11   18 o  550.671   17.325   86.545   5.3260   84.802   6.8321   89.246   8.5034  543.969   22.023  557.373   26.752 -13.40436 34.65098 
1 1 1   11   11   20 o  1210.32   16.239  419.300   11.055  429.656   17.205  412.018   14.427  1222.31   24.682  1198.32   21.111 23.98767 32.47876 
1 1 1   11   11   22 o  387.774   17.530   44.085   3.6615   45.628   4.5385   41.209   6.1967  398.460   19.972  377.089   28.815 21.37054 35.06034 
1 1 1   11   11   24 f  289.835   18.202   24.598   2.9826   26.780   4.0915   22.124   4.3571  304.088   23.593  275.581   27.724 28.50690 36.40395 
1 1 1   11   11   26 o  108.191   26.726   3.2985   2.0437   2.2177   3.3294   3.9520   2.5888  102.016   39.736  114.367   35.751 -12.35089 53.45221 
1 1 1   11   11   28 o  140.321   26.928   6.1365   2.3760   9.6843   3.4849   3.0547   3.2479  173.999   36.294  106.643   39.790 67.35645 53.85603 
1 1 1   11   11   30 o   92.090   25.071   1.5463   2.1489  -2.2984   3.4202   4.0538   2.7621   72.263   33.722  111.917   37.110 -39.65434 50.14272 
1 1 1   11   11   32 o   87.502   29.012  -0.6283   2.7701   0.0172   6.7485  -0.7591   3.0379  102.405   47.647   72.599   33.114 29.80553 58.02402 
1 1 1   11   11   34 o   88.023   28.568   1.2074   3.2682   2.5912   3.8018  -2.7105   6.3970   91.499   39.603   84.547   41.183 6.952232 57.13549 
1 1 1   11   12    1 o  684.077   21.660  134.470   8.4490  136.965   11.954  131.979   11.943  690.465   30.358  677.688   30.903 12.77618 43.32010 
1 1 1   11   12    3 o  985.114   18.977  278.596   10.071  277.367   17.346  279.221   12.369  982.550   30.956  987.678   21.960 -5.127319 37.95478 
1 1 1   11   12    5 o  930.120   21.996  247.594   11.667  247.594   11.667   0.0000   0.0000  930.120   21.996  ?   ?       ?      ? 
1 1 1   11   12    7 o  705.615   15.702  142.474   6.3182  141.131   8.9384  143.815   8.9322  702.280   22.318  708.951   22.093 -6.670837 31.40356 
1 1 1   11   12    9 o  217.394   19.137   13.548   2.3711   13.062   3.3630   14.028   3.3434  213.496   27.622  221.292   26.493 -7.795853 38.27304 
1 1 1   11   12   11 o  716.278   20.758  142.398   8.1791  130.575   10.125  164.601   13.876  675.237   26.293  757.318   32.128 -82.08124 41.51582 
1 1 1   11   12   13 o  422.618   22.176   47.926   4.4887   45.362   5.0520   57.540   9.7820  398.200   22.247  447.036   38.370 -48.83658 44.35295 
1 1 1   11   12   15 o  344.752   24.625   35.014   4.6266   37.294   5.8620   31.248   7.5345  360.516   28.512  328.988   40.159 31.52740 49.25094 
1 1 1   11   12   17 o  765.577   16.197  166.629   7.0236  157.034   9.3062  179.329   10.706  740.323   22.042  790.831   23.739 -50.50854 32.39427 
1 1 1   11   12   19 o  464.388   18.198   61.051   4.5914   58.896   5.6425   65.272   7.8990  453.030   21.840  475.746   29.114 -22.71567 36.39522 
1 1 1   11   12   21 o  517.081   21.651   78.638   6.2893   67.901   9.2761   87.775   8.5563  483.036   33.674  551.125   27.223 -68.08905 43.30167 
1 1 1   11   12   23 o  430.371   20.308   54.281   4.2281   53.130   8.6341   54.645   4.8494  425.027   35.621  435.716   19.516 -10.68912 40.61687 
1 1 1   11   12   25 o  145.362   29.639   7.4052   2.5662   8.7136   2.8544   1.8898   5.8606  169.315   30.692  121.408   50.713 47.90704 59.27711 
1 1 1   11   12   27 o  136.107   32.236   5.3006   2.6127   7.3257   5.3728   4.6734   2.9901  150.012   51.746  122.202   38.458 27.81078 64.47223 
1 1 1   11   12   29 o  162.574   29.468   9.1222   2.7534   7.9687   4.1794   10.007   3.6600  151.303   45.068  173.844   37.979 -22.54161 58.93674 
1 1 1   11   12   31 o  116.063   29.004   4.3996   2.4443   6.6034   3.7190   2.7236   3.2432  133.658   42.981   98.467   38.957 35.19170 58.00900 
1 1 1   11   12   33 o   93.346   31.464  -1.3830   4.6556   3.1727   6.8285  -5.3399   6.3640  105.283   48.617   81.409   39.953 23.87482 62.92724 
1 1 1   11   12   35 o  100.041   28.560   4.4383   2.4411   7.1466   4.0748   2.9222   3.0487  113.644   44.045   86.438   36.370 27.20655 57.12046 
1 1 1   11   13    0 o  131.503   32.440   6.4809   3.1118   6.4809   3.1118   6.4809   3.1118  131.503   45.878  131.503   45.878 -0.000000 0.000000 
1 1 1   11   13    2 o  990.364   21.884  281.695   12.358  287.753   17.533  275.714   17.422  1001.00   30.714  979.728   31.181 21.27173 43.76808 
1 1 1   11   13    4 o  515.442   21.971   76.307   6.4553   73.471   9.1152   79.160   9.1431  505.770   31.602  525.114   30.532 -19.34402 43.94181 
1 1 1   11   13    6 o  329.416   18.000   31.131   3.3543   36.372   4.8179   26.200   4.6728  356.466   23.700  302.366   27.099 54.09985 36.00056 
1 1 1   11   13    8 o  1105.79   15.688  349.769   9.8931  350.160   14.022  349.382   13.960  1106.40   22.223  1105.18   22.149 1.217163 31.37640 
1 1 1   11   13   10 o  767.247   15.391  168.341   6.7341  170.188   9.5669  166.528   9.4807  771.419   21.746  763.075   21.786 8.344421 30.78219 
1 1 1   11   13   12 o  941.112   21.936  255.178   11.616  260.780   15.329  247.622   17.802  953.814   28.182  928.410   33.623 25.40442 43.87140 
1 1 1   11   13   14 o  628.595   25.637  113.236   9.1905  113.236   9.1905   0.0000   0.0000  628.595   25.637  ?   ?       ?      ? 
1 1 1   11   13   16 o  924.896   16.285  245.259   8.5796  247.250   11.879  243.089   12.404  928.943   22.424  920.850   23.621 8.093445 32.56949 
1 1 1   11   13   18 o  962.946   16.924  266.302   9.2923  262.473   13.002  270.299   13.286  955.898   23.850  969.994   24.017 -14.09601 33.84753 
1 1 1   11   13   20 o  921.635   18.175  246.178   9.4992  227.149   13.813  263.252   13.084  887.016   27.307  956.254   23.993 -69.23785 36.34980 
1 1 1   11   13   22 o  496.585   25.741   75.372   4.8147   76.456   5.1729   68.346   13.167  516.022   17.578  477.148   48.388 38.87381 51.48240 
1 1 1   11   13   24 o  225.369   46.890   16.474   6.1736   14.429   7.5861   20.483   10.623  208.426   60.353  242.312   71.779 -33.88538 93.78001 
1 1 1   11   13   26 o  215.705   26.238   14.655   3.0684   13.357   4.7687   15.573   4.0085  203.589   42.447  227.821   30.853 -24.23238 52.47544 
1 1 1   11   13   28 o  192.572   24.057   11.852   2.5444   10.220   3.7407   13.258   3.4710  176.542   38.259  208.603   29.177 -32.06145 48.11489 
1 1 1   11   13   30 o   77.236   23.651   0.3552   1.9195   0.2462   2.7110   0.4649   2.7183   76.442   33.264   78.030   33.631 -1.588234 47.30266 
1 1 1   11   13   32 o   50.544   17.618  -3.6384   1.6554  -9.0521   3.5830  -2.1692   1.8666   52.520   26.427   48.568   23.307 3.952438 35.23686 
1 1 1   11   13   34 o   77.786   26.603  -1.8474   3.4712  -3.4788   4.4805   0.6019   5.4898   69.605   34.026   85.968   40.902 -16.36326 53.20505 
1 1 1   11   14    1 o  818.433   22.240  192.477   10.372  185.239   14.762  199.532   14.575  803.086   32.232  833.780   30.652 -30.69421 44.47989 
1 1 1   11   14    3 o  765.271   18.909  169.240   7.7541  172.106   9.5099  163.553   13.394  775.680   21.498  754.862   31.113 20.81812 37.81799 
1 1 1   11   14    5 o  1129.00   22.010  365.839   14.169  372.710   20.008  358.926   20.068  1139.71   30.783  1118.28   31.468 21.43005 44.02021 
1 1 1   11   14    7 o  492.764   16.351   69.469   4.5949   69.702   6.5275   69.241   6.4692  493.577   23.190  491.951   23.059 1.626465 32.70289 
1 1 1   11   14    9 o  241.184   19.795   16.670   2.7224   16.399   3.8501   16.941   3.8501  239.215   28.222  243.153   27.765 -3.938248 39.59053 
1 1 1   11   14   11 o  472.643   10.660   63.836   2.8714   66.110   4.0434   61.522   4.0785  481.157   14.736  464.129   15.409 17.02777 21.32045 
1 1 1   11   14   15 o  816.426   15.095  189.252   6.8555  183.749   8.7195  198.160   11.094  801.370   19.079  831.481   23.396 -30.11102 30.18947 
1 1 1   11   14   17 o  1148.45   17.458  379.560   11.395  371.511   16.722  386.537   15.570  1136.66   25.796  1160.23   23.531 -23.57336 34.91652 
1 1 1   11   14   19 o  423.356   28.406   50.935   6.5341   47.794   7.9935   57.260   11.343  405.605   34.557  441.107   45.092 -35.50208 56.81143 
1 1 1   11   14   21 o  391.663   33.854   46.779   7.2729   49.719   9.3108   42.177   11.648  410.624   39.760  372.703   54.804 37.92065 67.70773 
1 1 1   11   14   23 o  155.000   37.247   7.0854   4.0458   9.2764   5.5387   4.5790   5.9240  171.398   52.070  138.602   53.274 32.79594 74.49452 
1 1 1   11   14   25 o  173.909   35.614   9.4115   3.6690   7.3092   4.6145   13.025   6.0498  150.978   47.806  196.840   52.802 -45.86211 71.22816 
1 1 1   11   14   27 o  110.416   30.259   2.1586   2.9455  -1.0650   4.0346   5.8373   4.3100   86.427   38.916  134.405   46.347 -47.97792 60.51872 
1 1 1   11   14   29 o  120.155   28.955   5.1202   2.7580  -3.5320   6.2918   7.1781   3.0685   94.590   44.641  145.721   36.890 -51.13135 57.91091 
1 1 1   11   14   31 o  117.599   25.841   5.1805   2.2048   1.4791   3.6079   7.3867   2.7854   89.938   38.754  145.260   34.192 -55.32204 51.68163 
1 1 1   11   14   33 o  103.817   28.817   4.2156   2.4849   6.4784   3.9126   2.6858   3.2171  117.889   43.733   89.745   37.537 28.14417 57.63397 
1 1 1   11   15    0 o  1004.47   15.627  288.575   12.646  288.575   12.646  288.575   12.646  1004.47   22.100  1004.47   22.100 0.000000 0.000000 
1 1 1   11   15    2 o  1950.43   24.404  1093.74   27.111  1028.25   38.241  1159.92   38.442  1891.28   35.455  2009.58   33.543 -118.2985 48.80820 
1 1 1   11   15    4 o  759.470   15.678  164.989   6.7895  168.125   9.6166  161.872   9.5872  766.685   21.994  752.255   22.348 14.42987 31.35560 
1 1 1   11   15    6 o  158.593   30.477   7.6073   2.8626   8.9521   3.8072   5.8581   4.3419  172.948   39.471  144.238   46.447 28.70981 60.95331 
1 1 1   11   15    8 o  1102.39   15.785  347.634   9.9225  355.236   14.066  340.104   14.000  1114.42   22.132  1090.36   22.514 24.05273 31.57048 
1 1 1   11   15   10 o  663.442   13.847  125.325   5.0659  123.862   6.3778  127.826   8.3387  658.432   16.985  668.453   21.874 -10.02148 27.69439 
1 1 1   11   15   12 o  536.073   17.388   85.012   4.6417   76.754   8.9158   88.083   5.4365  516.988   30.240  555.158   17.172 -38.17084 34.77551 
1 1 1   11   15   16 o  582.041   22.308   94.279   6.5720   90.403   7.6225  105.504   12.973  561.097   23.821  602.985   37.725 -41.88727 44.61669 
1 1 1   11   15   18 o  504.196   15.056   71.655   4.1703   68.267   5.1834   77.874   7.0218  488.010   18.625  520.382   23.661 -32.37192 30.11201 
1 1 1   11   15   20 o  476.794   21.363   64.802   5.3601   69.352   9.8049   62.863   6.4012  486.866   35.314  466.722   24.050 20.14352 42.72519 
1 1 1   11   15   22 o  338.653   20.192   32.413   3.8227   39.242   6.2039   28.233   4.8536  366.132   29.712  311.175   27.351 54.95676 40.38412 
1 1 1   11   15   24 o  168.539   38.449   8.9064   3.7374   9.1636   8.1498   8.8380   4.2058  171.213   63.197  165.865   43.811 5.347443 76.89729 
1 1 1   11   15   26 o  172.247   31.901   10.168   3.2377   7.6568   4.8416   12.200   4.3546  151.053   49.086  193.441   40.760 -42.38773 63.80269 
1 1 1   11   15   28 o  116.086   30.928   4.1681   2.8159   1.0415   5.5017   5.2779   3.2777  106.695   46.882  125.477   40.351 -18.78184 61.85566 
1 1 1   11   15   30 f   63.415   21.635  -2.5267   2.0234 -11.2570   5.2709  -1.0179   2.1912   66.195   33.131   60.634   27.832 5.560989 43.26928 
1 1 1   11   15   32 o  103.329   29.393   4.1590   2.6128   3.5348   4.6765   4.4423   3.1504  100.718   43.758  105.940   39.254 -5.221634 58.78533 
1 1 1   11   15   34 o  102.725   31.628   4.6277   4.0663  -3.8974   5.8470   12.613   5.6588   73.429   36.449  132.021   51.699 -58.59190 63.25629 
1 1 1   11   16    1 o  488.390   16.734   68.252   4.6607   68.963   6.6086   67.548   6.5739  490.924   23.605  485.856   23.726 5.068604 33.46812 
1 1 1   11   16    3 o  822.984   22.758  194.617   10.668  186.552   15.235  202.376   14.944  806.074   33.141  839.894   31.199 -33.81970 45.51603 
1 1 1   11   16    5 o  755.730   15.906  163.378   6.8552  162.682   9.7021  164.072   9.6874  754.115   22.560  757.344   22.430 -3.228455 31.81254 
1 1 1   11   16    7 o  710.869   21.582  144.982   8.7478  145.544   12.274  144.401   12.470  712.313   30.216  709.425   30.824 2.888184 43.16359 
1 1 1   11   16    9 o  662.896   15.852  125.765   5.9917  124.227   8.5164  127.271   8.4313  658.858   22.666  666.934   22.168 -8.075989 31.70404 
1 1 1   11   16   11 o  1084.70   15.844  336.879   9.8000  333.552   13.921  340.147   13.798  1079.35   22.616  1090.05   22.197 -10.70032 31.68879 
1 1 1   11   16   13 o  307.552   31.690   27.233   5.5581   0.0000   0.0000   27.233   5.5581  ?   ?   307.552   31.690      ?      ? 
1 1 1   11   16   15 o  197.280   47.808   10.497   6.5167   14.453   9.9035   7.4761   8.6542  219.380   70.096  175.181   65.031 44.19855 95.61657 
1 1 1   11   16   17 o  548.553   16.816   86.515   5.2588   83.505   7.3825   89.617   7.4929  538.820   24.025  558.287   23.534 -19.46674 33.63142 
1 1 1   11   16   19 o  224.111   29.508   14.150   3.3754   12.860   3.9706   17.513   6.4097  210.020   33.152  238.202   48.825 -28.18192 59.01605 
1 1 1   11   16   21 o  170.239   41.792   8.6138   5.0829   5.3260   7.9965   10.843   6.5843  155.266   61.253  185.213   56.872 -29.94745 83.58400 
1 1 1   11   16   23 o  139.952   36.325   4.6188   4.1946   9.1561   5.7561  -0.5189   6.1251  168.232   53.406  111.672   49.253 56.56012 72.65083 
1 1 1   11   16   25 o  219.753   33.762   15.868   4.0016   14.898   5.0372   17.528   6.5884  213.724   42.820  225.781   52.210 -12.05733 67.52348 
1 1 1   11   16   27 f  110.722   35.434  -0.3054   4.8038   0.5809   6.4544  -1.4061   7.1927  111.925   49.895  109.520   50.327 2.404945 70.86839 
1 1 1   11   16   29 o   99.549   27.890   2.1086   2.2315   4.9982   4.0240   0.8255   2.6815  119.490   44.347   79.609   33.834 39.88093 55.77991 
1 1 1   11   16   31 o  107.902   32.446   3.9738   2.8972   5.0064   7.4903   3.7921   3.1417  113.816   51.947  101.987   38.892 11.82917 64.89291 
1 1 1   11   16   33 o   67.814   22.840  -1.0588   2.3301  -3.2388   4.4317  -0.2259   2.7393   69.019   33.761   66.610   30.770 2.409561 45.67961 
1 1 1   11   17    0 o  656.353   16.126  123.487   8.5132  123.487   8.5132  123.487   8.5132  656.353   22.806  656.353   22.806 -0.000000 0.000000 
1 1 1   11   17    2 o  1058.49   15.777  320.512   9.5224  327.279   13.489  313.790   13.444  1069.66   22.113  1047.32   22.510 22.33472 31.55402 
1 1 1   11   17    4 o  632.141   23.780  114.952   8.5603  110.072   12.255  119.602   11.962  618.868   34.725  645.415   32.499 -26.54694 47.56037 
1 1 1   11   17    6 o  853.542   15.784  208.443   7.6823  211.744   10.888  205.171   10.841  860.288   22.193  846.797   22.449 13.49158 31.56712 
1 1 1   11   17    8 o  124.470   28.671   4.3438   2.3984   5.5405   3.0976   2.5520   3.7901  136.727   38.233  112.212   42.735 24.51501 57.34210 
1 1 1   11   17   10 o  262.513   20.993   19.795   3.1420   20.414   4.4619   19.187   4.4251  266.605   29.346  258.420   30.027 8.185516 41.98597 
1 1 1   11   17   12 o  449.962   30.847   58.281   7.9155   0.0000   0.0000   58.281   7.9155  ?   ?   449.962   30.847      ?      ? 
1 1 1   11   17   14 o  435.514   26.970   54.437   5.4797   56.230   11.937   53.958   6.1681  437.737   47.817  433.291   24.962 4.445953 53.94038 
1 1 1   11   17   16 o  136.936   42.713  -3.0988   6.5366   2.2430   10.109  -6.9370   8.5690  158.263   66.391  115.608   53.757 42.65468 85.42609 
1 1 1   11   17   18 o  316.736   23.296   28.040   4.0486   25.162   4.9827   33.631   6.9452  294.445   29.673  339.028   35.922 -44.58301 46.59286 
1 1 1   11   17   20 o  133.124   35.365   2.6388   3.5968  -0.0236   4.3500   8.3931   6.3952   98.853   42.575  167.396   56.480 -68.54344 70.72933 
1 1 1   11   17   22 o  193.456   36.453   12.835   3.8842   8.7811   8.2667   13.984   4.4002  171.031   63.545  215.880   35.741 -44.84857 72.90696 
1 1 1   11   17   24 o  323.414   20.021   30.974   3.6642   36.843   5.4406   26.101   4.9570  351.822   27.117  295.007   29.464 56.81436 40.04280 
1 1 1   11   17   26 o  184.987   42.562   13.515   5.3934   16.772   7.1938   9.3352   8.1502  210.007   58.104  159.967   62.210 50.03944 85.12380 
1 1 1   11   17   28 o   82.398   25.190  -0.5591   2.1710   2.9590   3.6421  -2.4983   2.7040  103.506   41.178   61.290   29.028 42.21618 50.38054 
1 1 1   11   17   30 o   74.098   26.482  -3.0080   2.1724  -2.4012   7.7318  -3.0601   2.2635   97.025   46.784   51.171   24.827 45.85462 52.96375 
1 1 1   11   17   32 o   72.713   24.090  -1.1817   1.9659   3.3312   4.2561  -2.4056   2.2165   94.029   41.278   51.396   24.848 42.63324 48.17965 
1 1 1   11   18    1 o  852.791   15.722  208.072   7.6462  208.318   10.820  207.827   10.807  853.294   22.234  852.288   22.235 1.005798 31.44414 
1 1 1   11   18    3 f  714.237   16.006  146.022   6.5178  148.553   9.1669  143.434   9.2691  720.536   22.309  707.939   22.959 12.59650 32.01227 
1 1 1   11   18    5 o  158.587   40.122   6.3150   4.6037   5.6180   6.7044   6.9370   6.3327  155.243   57.316  161.932   56.160 -6.688522 80.24413 
1 1 1   11   18    7 o  377.460   18.098   40.832   3.8955   40.419   5.4688   41.257   5.5502  375.529   25.536  379.390   25.652 -3.861481 36.19573 
1 1 1   11   18    9 o  413.342   20.839   50.010   4.7581   53.329   6.1422   45.030   7.5241  431.260   24.974  395.423   33.366 35.83765 41.67727 
1 1 1   11   18   11 o  369.798   22.912   39.427   4.8318   39.389   6.8070   39.466   6.8597  369.631   32.292  369.964   32.513 -0.3328857 45.82394 
1 1 1   11   18   13 o  147.926   31.021   6.6188   2.7326   5.2954   4.8727   7.2259   3.3004  141.121   49.245  154.732   37.739 -13.61043 62.04248 
1 1 1   11   18   15 o  588.921   20.865   91.748   4.0390  111.110   13.928   89.970   4.2203  616.873   39.590  560.969   13.192 55.90393 41.73041 
1 1 1   11   18   17 o  529.047   31.820   83.121   9.5580   82.705   14.167   83.469   12.949  526.808   47.155  531.287   42.738 -4.478271 63.64082 
1 1 1   11   18   19 o  390.742   14.967   42.045   2.9971   48.701   5.8413   39.666   3.4918  409.860   24.991  371.624   16.476 38.23663 29.93341 
1 1 1   11   18   21 o  141.952   36.639   4.7873   3.6878   2.9725   4.4671   8.6704   6.5344  117.388   45.944  166.515   57.087 -49.12771 73.27876 
1 1 1   11   18   23 o  131.228   39.073   2.7957   4.8477   4.1429   7.8889   1.9784   6.1447  141.318   58.917  121.138   51.338 20.18062 78.14619 
1 1 1   11   18   25 o  152.227   33.209   7.0937   2.8655   10.486   5.6696   5.9300   3.3209  170.484   52.844  133.971   40.234 36.51196 66.41797 
1 1 1   11   18   27 o  118.979   33.979   2.9870   2.8905   8.2218   6.6711   1.7771   3.2072  145.480   56.364   92.479   37.965 53.00024 67.95750 
1 1 1   11   18   29 o   84.741   27.057   0.3465   2.6633  -3.0277   5.4277   1.4166   3.0566   84.275   40.255   85.206   36.164 -0.9305038 54.11383 
1 1 1   11   18   31 o  102.101   31.685   2.4777   2.5882   10.486   6.6662   1.0562   2.8085  127.609   53.742   76.593   33.580 51.01623 63.37037 
1 1 1   11   19    0 o  574.617   16.361   94.798   7.5541   94.798   7.5541   94.798   7.5541  574.617   23.137  574.617   23.137 -0.000000 0.000000 
1 1 1   11   19    2 o  1115.49   15.906  356.177   10.118  358.027   14.394  354.370   14.226  1118.34   22.569  1112.64   22.420 5.698120 31.81237 
1 1 1   11   19    4 o  955.959   15.835  261.671   8.6312  255.706   12.211  267.628   12.202  945.024   22.657  966.895   22.129 -21.87158 31.67051 
1 1 1   11   19    6 o  505.906   26.597   74.357   7.6144   64.731   10.875   83.613   10.665  473.125   40.306  538.688   34.715 -65.56323 53.19466 
1 1 1   11   19    8 o  563.311   18.041   89.900   4.9800   93.324   10.158   88.817   5.7138  569.390   31.282  557.232   17.980 12.15863 36.08141 
1 1 1   11   19   10 o  256.519   26.386   19.067   3.8550   19.185   5.3270   18.938   5.5857  257.460   36.281  255.579   38.323 1.881180 52.77265 
1 1 1   11   19   12 o  306.546   29.704   24.222   4.1938   33.232   9.8909   22.247   4.6306  335.371   51.715  277.721   29.237 57.65005 59.40772 
1 1 1   11   19   14 o  565.740   13.492   91.052   4.0420   93.793   7.2559   89.818   4.8671  571.273   22.272  560.207   15.234 11.06525 26.98359 
1 1 1   11   19   16 o  428.094   28.667   54.079   4.9842   53.882   12.773   54.115   5.4133  422.679   52.988  433.509   21.896 -10.83051 57.33361 
1 1 1   11   19   18 o  134.685   39.080   2.4960   2.3291   6.2882   10.759   2.3096   2.3856  173.773   70.205   95.596   34.353 78.17672 78.15902 
1 1 1   11   19   20 o  266.566   32.625   22.881   3.8122   21.079   8.3987   23.348   4.2783  250.841   59.594  282.292   26.575 -31.45044 65.25055 
1 1 1   11   19   22 o  241.256   27.671   17.423   3.7229   20.896   6.0917   15.353   4.7035  258.748   41.283  223.764   36.858 34.98384 55.34260 
1 1 1   11   19   24 o  104.544   32.874  -0.5371   3.9447  -2.4926   5.2726   1.9489   5.9450   92.482   42.711  116.607   49.987 -24.12529 65.74886 
1 1 1   11   19   26 o   87.839   27.740  -0.1479   2.7998  -3.5075   5.2016   1.2224   3.3221   85.763   40.511   89.914   37.907 -4.150055 55.47981 
1 1 1   11   19   28 o  100.166   31.601   0.0034   2.6335   7.7265   6.7756  -1.3709   2.8582  132.975   54.950   67.356   31.226 65.61964 63.20224 
1 1 1   11   19   30 o  116.348   33.607   5.7240   3.0591   9.2349   6.7856   4.8284   3.4272  124.840   53.457  107.855   40.743 16.98494 67.21355 
1 1 1   11   19   32 o   90.388   26.326   2.7417   2.7828  -4.7294   4.6536   6.9001   3.4719   65.406   32.475  115.370   41.444 -49.96382 52.65226 
1 1 1   11   20    1 o  567.896   16.753   92.390   5.4236   91.452   7.5515   93.389   7.7944  564.950   23.439  570.843   23.943 -5.892761 33.50550 
1 1 1   11   20    3 o  120.967   28.681   3.9499   2.3392   4.5976   3.3799   3.3545   3.2407  127.533   40.971  114.402   40.146 13.13085 57.36170 
1 1 1   11   20    5 o  658.885   14.364  125.321   5.2057  128.375   6.5917  120.259   8.4858  670.008   17.251  647.760   22.971 22.24817 28.72783 
1 1 1   11   20    7 o  605.686   25.765  106.251   8.8874  101.737   12.705  110.578   12.437  592.796   37.580  618.577   35.256 -25.78076 51.52931 
1 1 1   11   20    9 o  510.567   22.933   75.292   6.6759   76.369   9.5639   74.267   9.3229  514.090   32.621  507.043   32.241 7.046783 45.86572 
1 1 1   11   20   11 o  430.415   27.625   53.165   6.3919   56.391   11.208   51.610   7.7812  438.505   44.820  422.325   32.308 16.18033 55.25072 
1 1 1   11   20   13 o  264.151   34.803   18.676   3.4836   24.682   10.072   17.859   3.7128  279.479   64.502  248.822   26.165 30.65659 69.60667 
1 1 1   11   20   15 o  303.636   32.995   23.667   3.8272   34.306   11.012   22.206   4.0817  330.148   60.726  277.125   25.827 53.02261 65.99007 
1 1 1   11   20   17 o  469.366   16.068   63.383   4.2805   66.970   6.4371   60.539   5.7312  480.993   23.467  457.740   21.955 23.25323 32.13612 
1 1 1   11   20   19 o  226.580   38.753   9.9892   2.7972   28.158   11.455   8.8370   2.8846  282.596   71.128  170.564   30.788 112.0315 77.50576 
1 1 1   11   20   21 o  151.922   31.861   7.4119   2.0915   4.2232   7.9289   7.6503   2.1683  142.477   59.205  161.367   23.562 -18.89037 63.72116 
1 1 1   11   20   23 f  160.917   33.136   7.9391   2.8283   11.041   5.9786   7.0448   3.2103  175.124   54.262  146.710   38.049 28.41347 66.27279 
1 1 1   11   20   25 o  107.756   35.908  -0.3600   2.6571   6.1088   10.656  -0.7889   2.7438  144.469   64.277   71.043   32.031 73.42576 71.81609 
1 1 1   11   20   27 o  161.026   36.512   9.7990   3.3303   14.105   7.1656   8.6127   3.7612  170.537   59.706  151.514   42.046 19.02243 73.02499 
1 1 1   11   20   29 o   97.270   28.124   2.8896   2.8498  -2.4215   4.9155   5.5786   3.4976   78.954   37.872  115.587   41.589 -36.63297 56.24883 
1 1 1   11   20   31 o  102.156   30.734   3.2674   2.6168   11.992   5.7223   0.9606   2.9425  130.506   51.710   73.806   33.233 56.69940 61.46884 
1 1 1   11   21    0 o  122.564   38.523   6.2500   4.0283   6.2500   4.0283   6.2500   4.0283  122.564   54.479  122.564   54.479 -0.000000 0.000000 
1 1 1   11   21    2 o  215.886   25.729   13.941   3.0370   11.588   4.4613   15.973   4.1460  196.285   41.169  235.487   30.873 -39.20207 51.45869 
1 1 1   11   21    4 o  467.513   17.333   62.635   4.6150   67.356   6.6691   58.298   6.3929  484.433   24.140  450.593   24.878 33.84045 34.66541 
1 1 1   11   21    6 o  733.106   16.150  154.273   6.7483  152.973   9.6850  155.501   9.4080  730.015   23.263  736.198   22.408 -6.183289 32.30058 
1 1 1   11   21   10 o  744.512   21.877  160.296   9.2806  169.463   13.239  151.436   13.014  765.650   30.319  723.375   31.546 42.27533 43.75416 
1 1 1   11   21   12 f  632.775   23.276  116.994   7.4596  115.284   14.248  117.639   8.7554  626.658   39.869  638.891   24.030 -12.23303 46.55103 
1 1 1   11   21   14 o  504.110   21.320   73.180   6.1291   0.0000   0.0000   73.180   6.1291  ?   ?   504.110   21.320      ?      ? 
1 1 1   11   21   16 o  363.600   29.694   37.839   3.5329   41.820   11.829   37.449   3.7018  366.474   56.597  360.725   17.995 5.749268 59.38892 
1 1 1   11   21   18 o  289.885   35.005   20.340   4.1880   37.820   11.458   17.645   4.4994  336.048   62.076  243.722   32.371 92.32622 70.00952 
1 1 1   11   21   20 o  290.099   21.109   24.968   3.4137   26.135   5.4795   24.227   4.3640  294.272   32.651  285.927   26.763 8.344299 42.21807 
1 1 1   11   21   22 o  183.215   27.050   9.5397   2.4301   14.181   5.0091   8.1109   2.7791  205.860   44.001  160.570   31.474 45.28963 54.09916 
1 1 1   11   21   24 o  141.195   29.109   6.9910   3.5315  -6.5803   6.5114   12.646   4.2033   88.803   42.848  193.587   39.414 -104.7835 58.21859 
1 1 1   11   21   26 o   88.679   31.039  -1.5917   2.6967  -4.6866   10.912  -1.3904   2.7830  110.528   53.828   66.831   30.922 43.69714 62.07747 
1 1 1   11   21   28 o   83.990   27.233   0.8815   2.3314  -2.7621   6.8547   1.3582   2.4792   89.659   43.431   78.321   32.868 11.33818 54.46621 
1 1 1   11   21   30 o   87.637   27.780   2.5404   2.9021   1.1383   4.8053   3.3454   3.6411   84.013   39.451   91.261   39.121 -7.247398 55.55912 
1 1 1   11   22    1 o  296.331   20.673   25.342   3.4794   22.512   4.8762   28.278   4.9662  279.303   30.613  313.359   27.790 -34.05676 41.34554 
1 1 1   11   22    3 o  189.361   28.420   10.797   2.9693   11.213   4.3522   10.434   4.0613  192.711   40.869  186.012   39.505 6.699036 56.84076 
1 1 1   11   22    5 o  715.234   16.058  146.924   6.5487  145.373   9.3164  148.439   9.2072  711.445   22.962  719.023   22.454 -7.577942 32.11610 
1 1 1   11   22    7 o  556.060   19.480   85.579   5.9309  101.868   10.220   77.307   7.2827  593.741   30.183  518.380   24.635 75.36084 38.95986 
1 1 1   11   22   13 o  197.646   37.640   13.040   3.5933   7.5089   9.8858   13.882   3.8572  177.033   68.606  218.260   30.988 -41.22675 75.28024 
1 1 1   11   22   15 o  256.744   38.935   22.899   3.9833   17.534   10.814   23.741   4.2846  227.957   73.289  285.532   26.312 -57.57549 77.86972 
1 1 1   11   22   17 o  152.261   39.984   3.6832   2.5949   13.530   10.203   3.0023   2.6831  200.070   71.132  104.451   36.537 95.61906 79.96718 
1 1 1   11   22   19 o  235.276   38.866   13.729   3.4249   27.254   11.071   12.297   3.6016  268.315   71.183  202.237   31.228 66.07878 77.73142 
1 1 1   11   22   21 o  243.982   24.251   18.007   3.2825   20.450   5.4173   16.590   4.1263  254.967   37.257  232.997   31.054 21.96951 48.50176 
1 1 1   11   22   23 o  149.420   37.173   8.9051   4.2515  -3.1089   11.214   10.922   4.5945  123.720   58.745  175.121   45.568 -51.40166 74.34689 
1 1 1   11   22   25 o  116.471   33.057   4.5978   3.1963   0.2567   7.8011   5.4735   3.5039  110.072   51.219  122.870   41.805 -12.79735 66.11394 
1 1 1   11   22   27 o   95.394   27.254   2.1948   2.7247  -3.5127   4.5101   5.4750   3.4191   73.931   35.670  116.857   41.217 -42.92595 54.50871 
1 1 1   11   22   29 o  107.034   25.316   1.3068   2.2433   11.821   4.0453  -3.3622   2.6957  160.275   43.255   53.792   26.317 106.4826 50.63123 
1 1 1   11   23    0 o   72.353   31.481   1.2160   3.5696   1.2160   3.5696   1.2160   3.5696   72.353   44.521   72.353   44.521 -0.000000 0.000000 
1 1 1   11   23    2 o  484.660   17.536   67.571   4.8456   65.496   6.8034   69.708   6.9030  477.071   25.006  492.249   24.590 -15.17783 35.07125 
1 1 1   11   23    4 o  479.002   17.838   66.161   4.8642   63.713   7.0021   68.445   6.7621  470.260   26.110  487.743   24.311 -17.48367 35.67529 
1 1 1   11   23    6 o  838.779   19.384  198.792   8.8749  218.055   15.190  188.809   10.935  867.636   30.699  809.922   23.676 57.71356 38.76830 
1 1 1   11   23    8 o  630.408   22.858  115.294   8.2054  124.160   11.941  107.363   11.294  653.414   32.046  607.402   32.604 46.01117 45.71643 
1 1 1   11   23   10 o  723.252   22.279  152.548   8.4606  151.702   15.257  152.924   10.167  718.831   37.217  727.673   24.500 -8.841980 44.55732 
1 1 1   11   23   14 o  155.591   32.079   7.8821   2.9974   5.2649   5.4823   8.9980   3.5798  140.605   51.845  170.577   37.794 -29.97247 64.15885 
1 1 1   11   23   16 o  130.781   30.198   1.5686   2.5460   11.634   5.5565  -1.1062   2.8643  188.295   50.642   73.267   32.908 115.0279 60.39519 
1 1 1   11   23   18 o  393.310   18.016   44.767   3.9917   52.490   6.2700   39.504   5.1762  420.846   26.125  365.773   24.814 55.07278 36.03131 
1 1 1   11   23   20 o  179.576   32.726   10.725   3.2535   12.272   5.5358   9.9088   4.0212  186.543   50.707  172.608   41.387 13.93469 65.45271 
1 1 1   11   23   22 o  113.008   30.186   4.1236   2.5004 -16.1332   10.762   5.2794   2.5707   99.613   49.448  126.402   34.636 -26.78883 60.37129 
1 1 1   11   23   24 o  194.910   40.185   15.107   4.3215   20.607   8.5119   13.196   5.0161  204.934   64.933  184.886   47.363 20.04800 80.37079 
1 1 1   11   23   26 o   79.342   28.212  -3.3662   3.0280  -8.3828   10.378  -2.8994   3.1658   95.425   47.563   63.259   30.356 32.16606 56.42434 
1 1 1   11   23   28 o   99.906   32.771   4.2613   4.2644   5.0737   7.8645   3.9230   5.0753  102.355   48.770   97.457   43.786 4.897720 65.54189 
1 1 1   11   24    1 f  390.596   18.710   44.094   4.1616   46.730   5.8785   41.445   5.8924  402.465   25.612  378.726   27.282 23.73892 37.42016 
1 1 1   11   24    3 o  515.211   17.153   76.528   5.0395   75.552   7.1266   77.505   7.1274  511.888   24.412  518.534   24.102 -6.646057 34.30590 
1 1 1   11   24    5 o  1100.73   19.596  350.677   11.644  350.909   19.976  350.557   14.330  1098.33   31.893  1103.13   22.778 -4.799561 39.19148 
1 1 1   11   24    7 o  679.951   22.933  134.670   8.8890  140.077   12.753  129.561   12.397  693.296   32.255  666.605   32.610 26.69080 45.86681 
1 1 1   11   24    9 o  362.013   17.938   38.440   3.3432   39.153   3.9767   36.721   6.1743  369.014   18.897  355.010   30.497 14.00406 35.87658 
1 1 1   11   24   11 o  181.578   40.255   7.0775   3.8975   17.923   9.1381   4.6658   4.3091  232.512   65.899  130.643   46.251 101.8690 80.51023 
1 1 1   11   24   13 o  474.786   43.178   68.682   11.691   0.0000   0.0000   68.682   11.691  ?   ?   474.786   43.178      ?      ? 
1 1 1   11   24   15 o  465.709   29.448   68.236   7.0761   63.119   12.758   70.510   8.5040  444.774   50.298  486.644   30.642 -41.87024 58.89664 
1 1 1   11   24   17 o   98.252   31.508   0.6050   2.6108 -12.0586   9.9967   1.5320   2.7046  107.257   52.070   89.247   35.491 18.00925 63.01556 
1 1 1   11   24   19 o  153.036   35.567   8.7564   3.3785  -0.6338   10.501   9.8406   3.5682  131.981   60.708  174.092   37.076 -42.11171 71.13405 
1 1 1   11   24   21 o  173.241   41.064   10.197   3.7091   15.632   10.432   9.4103   3.9684  182.068   70.499  164.415   42.131 17.65279 82.12856 
1 1 1   11   24   23 o  141.616   39.988   6.4149   3.3679   14.102   11.006   5.6208   3.5376  158.861   68.056  124.370   42.007 34.49144 79.97601 
1 1 1   11   24   25 o  109.277   33.713   4.2248   3.9039  -3.7948   10.402   5.5396   4.2118  102.180   50.330  116.373   44.869 -14.19248 67.42671 
1 1 1   11   24   27 o  173.663   38.161   13.154   3.9844   31.641   8.0786   7.2113   4.5802  230.250   60.672  117.076   46.303 113.1739 76.32191 
1 1 1   11   25    0 o  652.167   16.783  122.480   8.8010  122.480   8.8010  122.480   8.8010  652.167   23.735  652.167   23.735 -0.000000 0.000000 
1 1 1   11   25    2 o  393.208   18.609   44.710   4.1705   46.937   5.9786   42.599   5.8205  402.802   26.027  383.613   26.606 19.18848 37.21877 
1 1 1   11   25    4 o  673.138   20.417  130.068   7.3916  136.207   12.915  127.078   9.0139  682.860   33.164  663.416   23.825 19.44360 40.83492 
1 1 1   11   25    6 o  425.076   25.350   53.518   6.0650   63.205   8.5823   43.853   8.5722  464.985   32.365  385.168   39.026 79.81625 50.69986 
1 1 1   11   25    8 f  244.286   37.382   18.276   4.4654   19.393   9.2367   17.936   5.1011  242.281   65.350  246.290   36.318 -4.008820 74.76350 
1 1 1   11   25   10 o  168.157   39.191   7.1208   3.3152   11.882   8.8896   6.3517   3.5730  192.976   66.561  143.337   41.395 49.63957 78.38293 
1 1 1   11   25   12 o  153.135   40.482   5.8478   3.8590   8.3846   9.3240   5.3234   4.2391  172.036   66.640  134.234   45.981 37.80296 80.96373 
1 1 1   11   25   14 o  144.917   60.379   4.1793   8.2777   0.0000   0.0000   4.1793   8.2777  ?   ?   144.917   60.379      ?      ? 
1 1 1   11   25   16 o  151.114   36.248   6.1026   4.1414   0.7854   5.4983   13.075   6.2961  109.603   47.533  192.626   54.737 -83.02258 72.49522 
1 1 1   11   25   18 o  145.716   31.632   7.5545   2.9263   4.7920   5.3756   8.7179   3.4886  128.737   50.396  162.694   38.245 -33.95673 63.26417 
1 1 1   11   25   20 f   85.068   27.107   0.2985   2.1864  -3.5425   5.9766   0.8919   2.3492   92.378   43.570   77.758   32.262 14.62010 54.21464 
1 1 1   11   25   22 o  159.476   43.132   9.5055   4.0172   0.0000   0.0000   9.5055   4.0172  ?   ?   159.476   43.132      ?      ? 
1 1 1   11   25   24 o  109.309   36.058   1.3961   4.7068  -1.7376   5.4624   10.431   9.2752   86.312   40.988  132.306   59.336 -45.99366 72.11617 
1 1 1   11   25   26 o   91.027   28.587   1.5769   3.2787  -3.5007   4.8295   5.9181   4.4656   72.614   35.461  109.440   44.848 -36.82588 57.17347 
1 1 1   11   26    1 o  835.982   16.331  202.052   7.7855  199.438   10.954  204.721   11.068  830.501   23.128  841.463   23.064 -10.96143 32.66257 
1 1 1   11   26    3 f  452.156   22.015   60.136   5.3240   58.989   9.2418   60.706   6.5134  446.815   36.269  457.497   24.965 -10.68198 44.03043 
1 1 1   11   26    5 o  662.307   23.730  129.120   8.9574  124.484   12.408  134.166   12.945  649.961   33.474  674.653   33.645 -24.69214 47.46066 
1 1 1   11   26    7 o  869.161   16.678  219.447   8.2658  217.549   11.747  221.309   11.633  865.289   23.805  873.032   23.365 -7.743225 33.35599 
1 1 1   11   26    9 o  520.593   18.523   79.531   5.4844   73.842   7.8196   85.040   7.6941  501.621   27.335  539.564   25.005 -37.94287 37.04638 
1 1 1   11   26   11 o  277.830   37.485   26.050   4.7267   23.528   10.124   26.753   5.3450  256.085   68.129  299.575   31.286 -43.49023 74.96922 
1 1 1   11   26   13 o  149.655   27.454   8.0996   3.6739 -24.6944   9.7216   13.563   3.9681   87.564   43.989  211.746   32.861 -124.1814 54.90811 
1 1 1   11   26   15 o  172.797   37.180   11.319   3.7982   4.8424   9.7536   12.477   4.1237  148.579   63.869  197.016   38.080 -48.43675 74.35960 
1 1 1   11   26   17 o  240.591   32.134   31.383   3.8909  -0.4382   10.729   36.201   4.1751  131.385   60.765  349.798   20.930 -218.4133 64.26829 
1 1 1   11   26   19 o  219.774   45.115   20.711   5.7683   22.232   10.498   20.054   6.9039  211.320   72.359  228.228   53.904 -16.90848 90.22955 
1 1 1   11   26   23 o  112.048   31.020   5.0549   3.5471 -13.5904   10.124   7.6640   3.7871   88.213   44.392  135.883   43.339 -47.67041 62.03972 
1 1 1   11   26   25 o   97.092   31.693   2.3749   4.0933  -1.5037   5.3854   7.6812   6.2990   80.789   38.978  113.395   49.984 -32.60617 63.38519 
1 1 1   11   26   27 o   91.929   29.882   4.3294   3.2198   5.3833   9.0251   4.1757   3.4466   91.884   45.555   91.973   38.684 -0.8826447E-01 59.76325 
1 1 1   11   27    0 o  310.729   21.491   28.730   5.2674   28.730   5.2674   28.730   5.2674  310.729   30.392  310.729   30.392 0.000000 0.000000 
1 1 1   11   27    2 o  131.643   36.657   3.5213   4.0893   1.8423   5.6835   5.3235   5.8882  120.559   50.114  142.727   53.511 -22.16742 73.31341 
1 1 1   11   27    4 o  160.844   37.000   7.7503   4.0818   4.2680   5.7258   11.349   5.8204  134.647   52.204  187.042   52.447 -52.39482 73.99944 
1 1 1   11   27    6 o  416.953   20.404   51.428   4.8322   48.198   6.9946   54.377   6.6836  403.640   30.386  430.266   27.238 -26.62561 40.80739 
1 1 1   11   27    8 o  187.924   32.271   11.371   3.3899   11.661   5.2525   11.163   4.4378  188.836   48.515  187.012   42.567 1.823547 64.54192 
1 1 1   11   27   10 o  300.757   28.917   23.309   3.4012   35.593   9.9477   21.683   3.6193  329.661   52.913  271.853   23.345 57.80823 57.83428 
1 1 1   11   27   12 o  302.589   36.967   32.508   4.6455   27.662   10.610   33.657   5.1671  269.210   68.839  335.967   26.968 -66.75699 73.93352 
1 1 1   11   27   14 o  172.776   32.050   9.3961   3.0417   0.0000   0.0000   9.3961   3.0417  ?   ?   172.776   32.050      ?      ? 
1 1 1   11   27   16 o  272.272   38.924   27.849   4.7041   25.982   10.589   28.308   5.2507  242.099   71.650  302.445   30.442 -60.34647 77.84856 
1 1 1   11   27   18 o  149.895   34.009   9.5512   3.5855  -1.0400   9.7889   11.192   3.8533  119.050   56.031  180.740   38.559 -61.68927 68.01716 
1 1 1   11   27   22 o  101.742   35.027  -1.5537   6.5615  -4.9447   9.4379   1.6187   9.1286   96.234   47.504  107.250   51.488 -11.01598 70.05459 
1 1 1   11   27   24 o  104.106   33.838   4.9019   3.9694   8.0122   9.8661   4.3012   4.3358  108.720   52.528   99.492   42.671 9.227959 67.67571 
1 1 1   11   27   26 o   89.899   30.690   4.0966   4.8324   1.4137   7.5140   5.9890   6.3105   84.930   42.010   94.868   44.753 -9.938660 61.38084 
1 1 1   11   28    1 o  201.153   38.741   13.699   4.6321   15.954   6.2678   10.986   6.8761  220.535   50.873  181.771   58.442 38.76408 77.48248 
1 1 1   11   28    3 o  149.485   37.154   6.2851   4.2031   10.236   5.8842   2.1691   6.0059  176.008   53.714  122.962   51.348 53.04562 74.30871 
1 1 1   11   28    5 o  149.663   32.819   7.2344   3.0495   6.2749   5.1649   7.7479   3.7784  143.785   50.665  155.542   41.730 -11.75722 65.63800 
1 1 1   11   28    7 o  491.248   15.569   69.845   3.9008   72.361   7.4564   68.897   4.5772  494.500   26.440  487.996   16.447 6.503784 31.13845 
1 1 1   11   28    9 o  441.609   26.620   59.714   5.8225   61.789   11.521   59.002   6.7478  437.854   46.138  445.365   26.567 -7.511505 53.24018 
1 1 1   11   28   11 o   85.708   29.302  -4.0705   3.3479 -10.5848   8.3062  -2.8069   3.6583   96.950   47.158   74.465   34.792 22.48535 58.60348 
1 1 1   11   28   13 o  261.619   36.932   25.049   3.3691   22.671   10.179   25.342   3.5703  230.613   70.697  292.624   21.395 -62.01099 73.86337 
1 1 1   11   28   15 o  257.268   30.316   20.610   4.4479   0.0000   0.0000   20.610   4.4479  ?   ?   257.268   30.316      ?      ? 
1 1 1   11   28   17 o  332.676   33.715   39.082   3.9647   40.627   10.833   38.843   4.2603  305.900   64.147  359.453   20.783 -53.55240 67.42992 
1 1 1   11   28   19 o  187.044   48.517   14.249   5.2192   0.0000   0.0000   14.249   5.2192  ?   ?   187.044   48.517      ?      ? 
1 1 1   11   28   21 o  163.490   31.056   11.800   3.0578   9.2680   4.9596   13.353   3.8838  138.463   49.555  188.517   37.446 -50.05331 62.11205 
1 1 1   11   28   23 o   60.711   21.512  -5.1508   2.5886  -7.3340   5.4261  -4.5076   2.9453   68.002   33.972   53.421   26.401 14.58101 43.02443 
1 1 1   11   29    2 f  496.374   26.113   75.708   7.3912   74.449   10.448   76.970   10.458  491.939   37.241  500.808   36.616 -8.869171 52.22677 
1 1 1   11   29    4 o  619.326   17.305  113.116   6.1045  121.282   8.7959  105.527   8.4790  641.224   24.054  597.428   24.887 43.79663 34.61093 
1 1 1   11   29    6 o  528.813   17.940   82.760   5.4003   89.888   7.8764   76.436   7.4185  550.465   25.090  507.162   25.649 43.30264 35.88064 
1 1 1   11   29    8 f  313.360   22.759   29.995   4.0560   33.092   5.8537   27.135   5.6252  329.575   31.145  297.146   33.195 32.42935 45.51822 
1 1 1   11   29   10 o  314.619   31.124   29.923   4.7902   38.276   10.072   27.482   5.4456  330.722   53.400  298.516   31.988 32.20575 62.24776 
1 1 1   11   29   12 o  296.387   20.601   27.366   3.4238   30.192   4.6314   23.960   5.0843  315.880   25.710  276.895   32.198 38.98508 41.20267 
1 1 1   11   29   14 o  128.702   37.717   4.2863   3.6256   8.2722   8.7376   3.4573   3.9848  147.432   61.779  109.973   43.286 37.45937 75.43427 
1 1 1   11   29   16 o  163.023   45.083   10.068   4.3322   0.0000   0.0000   10.068   4.3322  ?   ?   163.023   45.083      ?      ? 
1 1 1   11   29   18 o  281.951   33.414   27.122   5.3727   0.0000   0.0000   27.122   5.3727  ?   ?   281.951   33.414      ?      ? 
1 1 1   11   29   20 o  127.038   35.548   7.8196   3.4589   9.3681   9.5601   7.5864   3.7102  121.669   56.644  132.406   42.967 -10.73743 71.09605 
1 1 1   11   29   22 o  110.235   33.916   5.0770   2.7508   15.140   9.6206   4.1810   2.8707  121.484   56.646   98.986   37.314 22.49747 67.83102 
1 1 1   11   30    1 o  288.576   36.362   28.915   5.7062   22.771   8.3467   34.307   7.8187  249.755   59.457  327.396   41.876 -77.64119 72.72406 
1 1 1   11   30    3 o  400.546   19.830   48.439   4.5157   46.406   6.5501   50.281   6.2339  391.509   29.337  409.583   26.689 -18.07404 39.66042 
1 1 1   11   30    5 o  269.627   23.944   22.351   3.6370   27.414   5.3758   18.077   4.9388  299.012   31.526  240.241   36.048 58.77112 47.88894 
1 1 1   11   30    7 o  243.802   25.063   18.593   3.4707   19.859   5.1976   17.575   4.6624  250.648   36.362  236.955   34.503 13.69322 50.12591 
1 1 1   11   30    9 o  201.009   37.904   15.843   4.3281   12.339   8.9271   16.919   4.9487  173.010   65.660  229.009   37.892 -55.99890 75.80863 
1 1 1   11   30   11 o  154.661   39.184   6.0382   3.5965   17.313   8.5443   3.6104   3.9649  197.695   65.255  111.626   43.396 86.06871 78.36717 
1 1 1   11   30   13 o  124.925   35.448   5.0430   3.2536   4.1264   8.5589   5.1979   3.5176  127.901   57.204  121.949   41.881 5.951813 70.89685 
1 1 1   11   30   15 o  161.885   31.580   9.0910   2.7193   12.928   5.4078   7.7926   3.1459  176.028   50.952  147.742   37.325 28.28584 63.16091 
1 1 1   11   30   17 o  155.887   42.590   9.6984   3.8936   0.0000   0.0000   9.6984   3.8936  ?   ?   155.887   42.590      ?      ? 
1 1 1   11   30   19 o  112.319   28.462   6.0145   2.7972  -8.3778   9.2627   7.4587   2.9342   86.828   43.525  137.810   36.686 -50.98257 56.92307 
1 1 1   11   30   21 o   83.151   28.280   0.8542   3.0796  -0.7141   9.1028   1.0570   3.2726   89.542   44.617   76.760   34.760 12.78209 56.55906 
1 1 1   11   31    0 o  152.505   40.470   9.7512   4.6494   9.7512   4.6494   9.7512   4.6494  152.505   57.233  152.505   57.233 -0.000000 0.000000 
1 1 1   11   31    2 o  248.537   38.750   22.775   5.3405   21.217   7.8132   24.141   7.3164  236.343   58.325  260.732   51.032 -24.38965 77.49899 
1 1 1   11   31    4 o  215.664   28.566   15.400   3.3813   22.274   4.9944   9.5836   4.5944  266.782   32.827  164.546   46.759 102.2367 57.13144 
1 1 1   11   31    6 o  146.788   32.542   7.6285   3.0246   7.5161   4.5322   7.7188   4.0614  145.325   47.505  148.251   44.488 -2.926468 65.08377 
1 1 1   11   31    8 o   87.769   29.432  -2.0524   3.0493  -3.1806   7.2153  -1.8071   3.3646  102.031   48.047   73.506   34.007 28.52483 58.86422 
1 1 1   11   31   10 o  168.786   39.504   10.495   3.8588   15.318   8.3806   9.1978   4.3471  180.293   64.429  157.278   45.728 23.01488 79.00758 
1 1 1   11   31   12 f  126.343   36.535   3.8914   3.0207   11.862   8.2453   2.6558   3.2463  155.188   61.888   97.499   38.848 57.68893 73.07087 
1 1 1   11   31   14 o  141.397   36.460   7.1655   2.8503   13.064   8.6760   6.4519   3.0179  150.735   62.225  132.059   38.016 18.67572 72.91933 
1 1 1   11   31   16 o  119.114   44.385   6.0715   4.0389   0.0000   0.0000   6.0715   4.0389  ?   ?   119.114   44.385      ?      ? 
1 1 1   11   31   18 o  152.256   47.832   11.521   4.6276   0.0000   0.0000   11.521   4.6276  ?   ?   152.256   47.832      ?      ? 
1 1 1   11   31   20 o   84.838   29.714  -0.6389   5.0059   1.6414   8.9258  -1.6853   6.0463   90.613   44.989   79.064   38.831 11.54854 59.42881 
1 1 1   11   32    1 o  117.291   32.143   4.1576   3.0949   3.1585   4.4098   5.1275   4.3447  110.392   44.824  124.191   46.082 -13.79977 64.28674 
1 1 1   11   32    3 o   99.578   31.958  -1.2437   4.1309  -5.7454   6.1911   2.3684   5.5458   87.542   42.123  111.615   48.071 -24.07300 63.91588 
1 1 1   11   32    5 o  260.094   20.887   19.576   2.9375   27.009   5.2852   16.253   3.5335  291.022   31.845  229.166   27.037 61.85564 41.77440 
1 1 1   11   32    7 o  235.744   22.099   17.327   2.5255   18.732   5.1783   16.888   2.8928  234.945   38.648  236.544   21.445 -1.599213 44.19888 
1 1 1   11   32    9 o  178.579   37.717   13.049   3.7839   14.745   8.1281   12.579   4.2754  170.890   63.106  186.268   41.329 -15.37727 75.43494 
1 1 1   11   32   11 o  129.799   36.546   4.1056   2.9881   15.050   7.9937   2.3278   3.2217  166.339   62.352   93.258   38.140 73.08161 73.09194 
1 1 1   11   32   13 o   92.377   31.334  -5.1210   2.4505   11.390   7.7961  -6.9311   2.5813  140.239   58.527   44.516   22.404 95.72356 62.66856 
1 1 1   11   32   15 o  117.962   44.778   6.3485   4.1526   0.0000   0.0000   6.3485   4.1526  ?   ?   117.962   44.778      ?      ? 
1 1 1   11   32   17 o   90.401   30.151   1.9832   3.3582   2.4355   8.6189   1.9023   3.6464   96.542   47.194   84.260   37.537 12.28201 60.30172 
1 1 1   11   32   19 o  123.552   40.472   7.5978   3.2890   0.0000   0.0000   7.5978   3.2890  ?   ?   123.552   40.472      ?      ? 
1 1 1   11   33    0 o  146.232   40.960   9.6908   4.6545   9.6908   4.6545   9.6908   4.6545  146.232   57.926  146.232   57.926 0.000000 0.000000 
1 1 1   11   33    2 o  120.654   31.431   4.7859   3.0778   1.5732   4.3733   7.9387   4.3323   97.771   42.397  143.537   46.414 -45.76568 62.86295 
1 1 1   11   33    4 o  102.062   31.879  -2.4213   4.0943   7.2566   6.1184 -10.2693   5.5097  133.979   53.349   70.146   34.913 63.83322 63.75742 
1 1 1   11   33    6 o  119.210   35.838   3.6752   4.2622   9.2203   6.8527   0.1767   5.4432  141.931   56.477   96.490   44.133 45.44147 71.67550 
1 1 1   11   33    8 o   77.590   25.908  -2.2051   2.9893 -12.3453   6.7405   0.2776   3.3353   74.655   37.380   80.524   35.884 -5.868729 51.81621 
1 1 1   11   33   10 o  137.668   36.422   9.0702   3.7938   8.5056   7.8518   9.2422   4.3331  128.441   56.233  146.895   46.306 -18.45355 72.84467 
1 1 1   11   33   12 o   73.362   23.202   0.1067   2.0789  -6.8601   4.7805   1.7315   2.3086   67.019   33.214   79.706   32.407 -12.68678 46.40408 
1 1 1   11   33   14 o   70.599   32.727  -0.4466   3.1389   0.0000   0.0000  -0.4466   3.1389  ?   ?    70.599   32.727      ?      ? 
1 1 1   11   33   16 o   79.553   28.022  -1.1602   2.6971   5.9607   8.4060  -1.9774   2.8477   99.459   48.158   59.647   28.668 39.81191 56.04475 
1 1 1   11   34    1 o  265.806   25.524   24.717   3.8609   23.270   5.4702   26.155   5.4502  256.180   37.443  275.432   34.698 -19.25189 51.04824 
1 1 1   11   34    3 o   74.141   24.387  -1.1350   2.3310  -1.3241   2.8344  -0.7400   4.0971   66.652   30.967   81.629   37.682 -14.97794 48.77382 
1 1 1   11   34    5 f  177.926   37.522   12.712   4.0880   23.813   7.2954   7.6303   4.9357  225.014   56.836  130.839   49.004 94.17535 75.04475 
1 1 1   11   34    7 o  181.306   31.525   15.558   3.5583   18.381   4.2791   9.2310   6.4063  230.014   32.621  132.598   53.955 97.41640 63.05025 
1 1 1   11   34    9 o  243.299   36.936   29.666   4.7035   24.427   8.8611   31.721   5.5499  187.400   66.327  299.199   32.526 -111.7984 73.87271 
1 1 1   11   34   11 o  126.552   35.455   7.4666   3.1636   13.701   7.7710   6.2281   3.4636  135.032   57.498  118.071   41.500 16.96162 70.91035 
1 1 1   11   34   13 o  101.564   41.341   4.8593   3.7624   0.0000   0.0000   4.8593   3.7624  ?   ?   101.564   41.341      ?      ? 
1 1 1   11   34   15 o  112.631   30.542   6.5342   2.3893   11.220   8.6689   6.1490   2.4856  105.208   50.420  120.055   34.484 -14.84657 61.08404 
1 1 1   11   35    0 o  117.019   42.265   8.1670   5.0348   8.1670   5.0348   8.1670   5.0348  117.019   59.772  117.019   59.772 0.000000 0.000000 
1 1 1   11   35    2 f   98.639   29.710   2.9708   3.0389   0.6839   4.3039   5.2443   4.2914   86.125   39.335  111.153   44.538 -25.02834 59.42081 
1 1 1   11   35    4 o   74.380   24.915  -1.6741   2.8299  -2.5983   4.0248  -0.7704   3.9799   71.324   34.227   77.437   36.216 -6.113289 49.83026 
1 1 1   11   35    6 o   95.976   29.295   2.5421   3.4578  -7.2949   6.8651   5.8859   4.0025   78.255   38.952  113.697   43.767 -35.44235 58.59072 
1 1 1   11   35    8 o   96.100   31.884   2.3150   4.2911   5.8478   6.8285   0.0094   5.5164  106.363   48.936   85.837   40.885 20.52593 63.76720 
1 1 1   11   35   10 o   81.343   27.400  -0.6624   3.7698  -8.9154   7.0077   2.6985   4.4719   73.142   36.824   89.543   40.584 -16.40128 54.79988 
1 1 1   11   35   12 o   66.877   31.909  -1.0726   3.3912   0.0000   0.0000  -1.0726   3.3912  ?   ?    66.877   31.909      ?      ? 
1 1 1   11   36    1 o  132.276   34.107   9.5132   3.3437   9.8937   4.7481   9.1390   4.7094  134.945   48.467  129.608   48.000 5.337524 68.21366 
1 1 1   11   36    3 o   80.129   26.385   0.3778   2.9447  -0.4894   4.1548   1.2530   4.1741   76.673   36.213   83.584   38.383 -6.910843 52.76979 
1 1 1   11   36    5 o  115.334   31.536   6.7367   3.1651   10.440   4.5762   3.3407   4.3823  138.075   47.749   92.594   41.207 45.48092 63.07127 
1 1 1   11   36    7 o   90.792   28.778   3.0702   3.4546  -4.2957   6.9285   5.5072   3.9853   78.196   38.957  103.387   42.368 -25.19155 57.55571 
1 1 1   11   36    9 o   83.891   28.962  -1.5648   4.2589   8.3463   6.7827  -8.0160   5.4722  103.397   47.994   64.386   32.431 39.01183 57.92421 
1 1 1   11   37    0 o  255.424   29.285   24.756   5.5572   24.756   5.5572   24.756   5.5572  255.424   41.416  255.424   41.416 -0.000000 0.000000 
1 1 1   11   37    2 o   88.118   28.341   3.1828   3.1309   4.2012   4.4523   2.1865   4.4035   92.500   41.323   83.735   38.798 8.764648 56.68235 
1 1 1   11   37    4 o   83.191   27.052   2.0506   3.0207  -0.3402   4.2979   4.3845   4.2465   73.794   35.401   92.589   40.915 -18.79525 54.10397 
1 1 1   12    0    0 f  1095.46   22.332  343.882   19.693  343.882   19.693  343.882   19.693  1095.46   31.582  1095.46   31.582 0.000000 0.000000 
1 1 1   12    0    2 f   61.629   26.488   0.9906   2.4582   0.9906   2.4582   0.9906   2.4582   61.629   37.460   61.629   37.460 0.000000 0.000000 
1 1 1   12    0    4 o  2117.19   17.784  1282.70   30.356  1282.70   30.356  1282.70   30.356  2117.19   25.150  2117.19   25.150 0.000000 0.000000 
1 1 1   12    0    6 o  946.238   15.889  256.345   12.110  256.345   12.110  256.345   12.110  946.238   22.471  946.238   22.471 0.000000 0.000000 
1 1 1   12    0    8 o  387.258   11.032   43.016   3.4328   43.016   3.4328   43.016   3.4328  387.258   15.601  387.258   15.601 0.000000 0.000000 
1 1 1   12    0   10 o  435.766   10.594   54.386   3.7132   54.386   3.7132   54.386   3.7132  435.766   14.982  435.766   14.982 -0.000000 0.000000 
1 1 1   12    0   12 f  348.212   19.998   35.347   5.5310   35.347   5.5310   35.347   5.5310  348.212   28.282  348.212   28.282 0.000000 0.000000 
1 1 1   12    0   14 o   60.861   28.931  -1.6784   4.0374  -1.6784   4.0374  -1.6784   4.0374   60.861   40.915   60.861   40.915 -0.000000 0.000000 
1 1 1   12    0   16 o  1174.69   22.136  395.576   20.938  395.576   20.938  395.576   20.938  1174.69   31.306  1174.69   31.306 -0.000000 0.000000 
1 1 1   12    0   18 o   98.254   32.916   4.0658   2.9611   4.0658   2.9611   4.0658   2.9611   98.254   46.550   98.254   46.550 -0.000000 0.000000 
1 1 1   12    0   20 o  106.330   36.342   4.8022   3.6281   4.8022   3.6281   4.8022   3.6281  106.330   51.396  106.330   51.396 -0.000000 0.000000 
1 1 1   12    0   22 o  128.009   47.404   7.0357   6.4414   7.0357   6.4414   7.0357   6.4414  128.009   67.039  128.009   67.039 0.000000 0.000000 
1 1 1   12    0   24 o  114.096   30.336   5.0704   2.6099   5.0704   2.6099   5.0704   2.6099  114.096   42.902  114.096   42.902 0.000000 0.000000 
1 1 1   12    0   26 o  334.521   14.650   32.499   3.9178   32.499   3.9178   32.499   3.9178  334.521   20.719  334.521   20.719 -0.000000 0.000000 
1 1 1   12    0   28 o  200.932   22.833   12.642   3.4136   12.642   3.4136   12.642   3.4136  200.932   32.291  200.932   32.291 -0.000000 0.000000 
1 1 1   12    0   30 o  212.960   23.334   14.322   3.7212   14.322   3.7212   14.322   3.7212  212.960   32.999  212.960   32.999 -0.000000 0.000000 
1 1 1   12    0   32 o  109.386   39.473   6.0476   4.3894   6.0476   4.3894   6.0476   4.3894  109.386   55.823  109.386   55.823 0.000000 0.000000 
1 1 1   12    0   34 o   49.789   24.138  -1.2814   3.1075  -1.2814   3.1075  -1.2814   3.1075   49.789   34.136   49.789   34.136 -0.000000 0.000000 
1 1 1   12    0   36 o   81.010   33.260   4.0186   3.5625   4.0186   3.5625   4.0186   3.5625   81.010   47.037   81.010   47.037 0.000000 0.000000 
1 1 1   12    1    1 o  1271.79   16.000  463.673   11.600  448.763   16.402  478.598   16.409  1251.22   22.986  1292.35   22.265 -41.13342 32.00086 
1 1 1   12    1    3 o  977.849   19.216  273.412   10.123  270.896   12.401  278.437   17.528  972.286   22.364  983.412   31.254 -11.12573 38.43159 
1 1 1   12    1    5 o  1420.75   19.884  573.858   15.248  598.864   26.456  561.421   18.658  1442.02   32.170  1399.49   23.378 42.53345 39.76759 
1 1 1   12    1    7 o  823.469   15.281  194.267   7.1536  195.295   9.7510  193.068   10.527  825.973   20.701  820.964   22.484 5.009399 30.56258 
1 1 1   12    1    9 o  271.932   17.591   21.971   2.3582   19.631   4.5853   22.813   2.7497  261.356   30.764  282.508   17.067 -21.15179 35.18114 
1 1 1   12    1   11 o  814.803   14.053  189.768   6.5283  185.410   9.1037  194.383   9.3668  805.183   19.826  824.424   19.923 -19.24121 28.10651 
1 1 1   12    1   13 o  458.237   11.273   59.844   2.9417   57.685   4.0293   62.308   4.3047  449.416   15.721  467.057   16.161 -17.64029 22.54653 
1 1 1   12    1   17 o  626.311   22.249  116.135   7.1459  121.090   8.5310  104.483   13.082  650.426   22.999  602.196   38.093 48.23022 44.49730 
1 1 1   12    1   19 f  341.450   17.581   33.563   3.3991   34.635   4.5873   32.257   5.0618  347.653   23.138  335.247   26.476 12.40610 35.16142 
1 1 1   12    1   21 o  438.700   18.432   53.325   3.9407   51.532   4.4882   59.359   8.2334  424.156   18.555  453.244   31.853 -29.08850 36.86322 
1 1 1   12    1   23 o  276.611   21.681   23.271   3.2493   17.265   4.9887   27.696   4.2822  243.217   35.967  310.005   24.222 -66.78783 43.36254 
1 1 1   12    1   25 o  486.260   13.130   67.437   3.6108   63.751   4.7586   72.441   5.5437  470.922   17.719  501.598   19.380 -30.67584 26.25919 
1 1 1   12    1   27 o  322.448   16.079   29.865   2.9346   25.838   3.8994   35.124   4.4566  297.674   22.970  347.223   22.506 -49.54871 32.15814 
1 1 1   12    1   29 o  115.664   31.230   3.5428   2.8595   3.7154   3.8347   3.3265   4.2918  115.836   43.231  115.493   45.080 0.3426590 62.45921 
1 1 1   12    1   31 o   82.058   25.727  -0.2524   2.3323   0.3368   3.7509  -0.6237   2.9779   88.980   38.914   75.136   33.664 13.84407 51.45426 
1 1 1   12    1   33 o   86.170   26.181   1.0929   2.3731  -0.9210   3.9054   2.2719   2.9881   80.427   37.005   91.914   37.046 -11.48698 52.36137 
1 1 1   12    1   35 o   76.418   24.530   0.2244   2.1175   1.9574   3.8700  -0.5162   2.5298   87.946   38.951   64.890   29.829 23.05567 49.06070 
1 1 1   12    2    0 o  1194.65   12.939  407.918   12.460  407.918   12.460  407.918   12.460  1194.65   18.298  1194.65   18.298 -0.000000 0.000000 
1 1 1   12    2    2 o  1043.74   19.252  312.111   10.823  310.447   13.268  315.422   18.713  1040.84   22.352  1046.64   31.351 -5.800415 38.50364 
1 1 1   12    2    4 o  1042.63   18.431  314.487   9.4331  316.908   10.886  307.189   18.902  1052.53   18.135  1032.73   32.093 19.79822 36.86300 
1 1 1   12    2    6 o  482.076   15.213   67.142   4.0663   69.233   5.2217   63.921   6.4816  491.955   18.612  472.197   24.069 19.75760 30.42596 
1 1 1   12    2    8 o  429.676   17.420   52.944   4.2661   54.920   6.0283   50.962   6.0381  437.754   24.148  421.599   25.114 16.15546 34.83962 
1 1 1   12    2   10 o  239.703   18.138   14.470   2.2726   21.847   4.4401   11.851   2.6454  275.946   28.215  203.461   22.799 72.48508 36.27511 
1 1 1   12    2   12 o  799.349   13.859  182.694   6.3149  182.063   9.0577  183.291   8.8087  797.973   19.904  800.725   19.290 -2.752319 27.71772 
1 1 1   12    2   14 o  371.767   12.908   39.496   2.7362   40.449   3.8741   38.548   3.8650  376.249   18.055  367.285   18.453 8.964508 25.81631 
1 1 1   12    2   16 o  533.115   30.597   81.547   9.3023   81.547   9.3023   0.0000   0.0000  533.115   30.597  ?   ?       ?      ? 
1 1 1   12    2   18 o  557.036   12.930   87.392   3.9842   83.539   5.0051   94.057   6.5829  540.687   16.232  573.385   20.132 -32.69794 25.86038 
1 1 1   12    2   20 o  279.613   18.616   22.461   2.9528   25.641   4.2518   19.499   4.1039  298.834   24.949  260.393   27.636 38.44138 37.23161 
1 1 1   12    2   22 o  357.774   13.315   36.627   2.6839   37.115   4.1414   36.273   3.5240  359.687   20.190  355.862   17.365 3.825439 26.62996 
1 1 1   12    2   24 o  194.680   27.951   11.833   3.0198   8.0735   4.4599   15.015   4.1037  162.322   46.049  227.038   31.694 -64.71533 55.90191 
1 1 1   12    2   26 f  143.303   32.452   6.0130   3.0206   4.4719   4.0207   8.0097   4.5766  126.844   44.701  159.762   47.055 -32.91811 64.90305 
1 1 1   12    2   28 o  306.304   19.063   27.850   3.3180   25.080   4.6695   30.675   4.7155  290.350   28.200  322.258   25.659 -31.90829 38.12637 
1 1 1   12    2   30 o  223.318   21.171   15.139   2.6721   14.340   3.5161   16.231   4.1111  217.180   28.388  229.457   31.417 -12.27652 42.34293 
1 1 1   12    2   32 f  100.255   27.735   1.8149   2.4841   5.5538   3.7948  -0.9885   3.2860  124.922   43.466   75.588   34.463 49.33386 55.47054 
1 1 1   12    2   34 f  110.507   28.599   4.7759   2.3877   3.8634   3.7202   5.4151   3.1136  103.398   41.454  117.617   39.411 -14.21902 57.19844 
1 1 1   12    2   36 o   77.358   24.814   0.8063   2.3950   2.7823   3.5414  -0.8590   3.2511   87.045   37.946   67.671   31.984 19.37348 49.62709 
1 1 1   12    3    1 o  597.877   19.286  103.576   6.1908  105.419   7.6098   99.968   10.646  606.578   21.998  589.175   31.684 17.40259 38.57192 
1 1 1   12    3    3 o  840.802   19.087  202.171   8.6399  200.434   10.577  205.655   14.978  836.376   22.175  845.229   31.074 -8.853516 38.17476 
1 1 1   12    3    5 o  946.591   19.305  258.460   9.7877  260.747   11.975  253.858   16.989  954.085   22.008  939.097   31.723 14.98798 38.60957 
1 1 1   12    3    7 o  310.085   17.466   28.056   2.9468   29.330   3.7028   25.855   4.8665  320.130   20.282  300.040   28.441 20.08951 34.93201 
1 1 1   12    3    9 o  326.323   19.374   30.549   3.6028   29.011   5.0619   32.128   5.1292  317.961   27.915  334.684   26.873 -16.72293 38.74832 
1 1 1   12    3   11 o  349.874   10.982   35.065   2.1833   33.567   3.1841   36.394   2.9994  342.772   16.289  356.977   14.733 -14.20511 21.96358 
1 1 1   12    3   13 o  497.179   11.938   70.760   3.3774   67.490   4.8632   73.807   4.6939  486.023   17.546  508.334   16.192 -22.31055 23.87515 
1 1 1   12    3   15 o  367.515   30.912   38.749   6.4789   38.749   6.4789   0.0000   0.0000  367.515   30.912  ?   ?       ?      ? 
1 1 1   12    3   17 o  150.186   27.545   6.9231   2.3799   7.9033   3.0523   5.4033   3.8007  162.814   33.972  137.559   43.368 25.25581 55.08981 
1 1 1   12    3   19 o  400.492   15.387   46.295   3.4867   40.867   5.0301   51.314   4.8373  377.587   23.360  423.398   20.034 -45.81073 30.77391 
1 1 1   12    3   21 o  567.094   12.330   92.270   3.9683   81.235   5.5765  103.591   5.6482  532.546   18.362  601.643   16.462 -69.09747 24.66054 
1 1 1   12    3   23 o  564.529   12.729   91.423   4.0956   91.774   5.9020   91.096   5.6880  565.518   18.301  563.542   17.699 1.975830 25.45883 
1 1 1   12    3   25 o  581.055   13.094   97.169   4.3379  100.147   6.1569   94.234   6.1127  589.958   18.300  572.151   18.734 17.80664 26.18857 
1 1 1   12    3   27 o  242.855   27.320   17.578   3.6525   14.729   4.7120   21.866   5.7813  217.140   39.507  268.569   37.746 -51.42975 54.64081 
1 1 1   12    3   29 o   94.483   27.199   0.6347   2.4002   3.7436   3.7492  -1.5243   3.1243  115.420   42.812   73.546   33.561 41.87340 54.39812 
1 1 1   12    3   31 o  154.072   31.388   8.6290   3.1335   4.8761   4.6683   11.706   4.2274  123.657   47.349  184.487   41.219 -60.83051 62.77657 
1 1 1   12    3   33 o   71.154   23.379  -1.2850   2.2125  -2.0766   3.7402  -0.8589   2.7441   73.839   34.716   68.469   31.324 5.369453 46.75834 
1 1 1   12    3   35 o   70.879   23.615  -0.9231   2.3242  -1.0479   4.1107  -0.8644   2.8179   75.847   35.883   65.911   30.708 9.935379 47.22909 
1 1 1   12    4    2 o  1243.51   19.527  443.626   13.063  442.437   16.004  446.000   22.613  1242.54   22.585  1244.48   31.862 -1.932983 39.05487 
1 1 1   12    4    4 o  890.119   17.968  225.691   7.9276  224.055   9.1576  230.585   15.836  885.053   18.143  895.185   31.021 -10.13263 35.93697 
1 1 1   12    4    6 o  429.918   19.168   51.885   4.0293   50.818   4.6091   55.342   8.2989  421.462   19.176  438.375   33.196 -16.91266 38.33627 
1 1 1   12    4    8 o  789.153   14.549  178.951   6.3768  181.584   8.1740  174.858   10.193  796.929   17.985  781.378   22.874 15.55090 29.09825 
1 1 1   12    4   10 o  169.432   23.979   10.392   1.7833   5.2295   4.0198   11.657   1.9898  136.902   44.738  201.963   17.276 -65.06183 47.95816 
1 1 1   12    4   12 o  732.696   16.619  153.765   6.9373  160.965   9.7876  146.496   9.8343  750.016   22.883  715.376   24.105 34.63977 33.23706 
1 1 1   12    4   14 o  382.622   13.626   41.797   2.8811   41.661   3.6459   42.024   4.7013  381.902   16.740  383.342   21.505 -1.440552 27.25240 
1 1 1   12    4   16 o  382.522   22.747   41.921   4.9565   39.655   6.8245   44.452   7.2104  371.602   32.203  393.442   32.136 -21.83994 45.49435 
1 1 1   12    4   18 o  766.741   12.943  168.057   5.6407  168.824   8.3323  167.407   7.6639  768.269   19.018  765.213   17.562 3.055725 25.88631 
1 1 1   12    4   20 o  325.679   18.049   30.530   3.3437   31.355   4.6069   29.612   4.8607  330.439   24.447  320.919   26.559 9.519531 36.09776 
1 1 1   12    4   22 o  135.527   28.178   5.6249   2.3928   6.9999   3.0372   3.3747   3.8853  152.212   35.620  118.842   43.672 33.36960 56.35636 
1 1 1   12    4   24 o   96.448   27.353   1.3109   2.3031   2.1825   3.3742   0.5507   3.1514  103.966   40.140   88.929   37.170 15.03715 54.70673 
1 1 1   12    4   26 o  140.519   29.061   6.1100   2.4614   6.0396   3.7663   6.1624   3.2520  140.127   43.010  140.911   39.094 -0.7836456 58.12243 
1 1 1   12    4   28 o  247.627   28.784   19.984   3.6864   17.258   6.1833   21.487   4.5917  227.579   49.085  267.675   30.079 -40.09602 57.56840 
1 1 1   12    4   30 o  171.995   27.623   9.8989   2.6808   7.3763   3.7751   12.465   3.8075  147.230   42.558  196.759   35.226 -49.52913 55.24534 
1 1 1   12    4   32 o  157.371   30.648   9.4561   3.0227   5.9338   4.5096   12.329   4.0731  127.239   47.001  187.503   39.346 -60.26345 61.29644 
1 1 1   12    4   34 o   66.796   22.479  -2.2380   2.1390  -0.4192   3.7497  -3.1153   2.6043   78.312   36.115   55.279   26.776 23.03230 44.95784 
1 1 1   12    4   36 o   96.490   24.734   2.2909   2.5507  -6.5117   3.9583   8.5418   3.3356   57.506   28.771  135.475   40.241 -77.96884 49.46879 
1 1 1   12    5    3 o  691.263   15.473  136.932   6.0951  143.294   8.6268  130.592   8.6128  707.371   21.385  675.155   22.369 32.21576 30.94666 
1 1 1   12    5    5 o  852.075   18.710  207.613   8.4331  206.394   10.165  210.306   15.105  849.076   20.992  855.074   30.977 -5.997192 37.41948 
1 1 1   12    5    7 o  382.566   17.306   38.093   2.3983   37.050   2.5325   47.163   7.4679  360.231   12.327  404.901   32.341 -44.66983 34.61109 
1 1 1   12    5    9 o  479.682   19.100   68.273   3.8021   69.382   4.1600   62.647   9.3689  492.862   14.801  466.501   35.216 26.36087 38.20000 
1 1 1   12    5   11 o  991.394   14.132  280.648   7.8213  279.157   10.066  282.919   12.424  988.353   17.859  994.435   21.908 -6.082397 28.26494 
1 1 1   12    5   13 o  986.740   16.148  279.088   9.0640  287.879   12.508  269.366   13.154  1003.27   21.861  970.208   23.773 33.06268 32.29641 
1 1 1   12    5   15 o  432.184   30.009   53.574   7.3963   53.574   7.3963   0.0000   0.0000  432.184   30.009  ?   ?       ?      ? 
1 1 1   12    5   17 o  763.174   12.645  166.398   5.4563  167.201   8.2840  165.782   7.2515  764.680   18.996  761.669   16.694 3.010132 25.28946 
1 1 1   12    5   19 o  215.095   17.348   13.203   2.1205   14.856   3.1180   11.781   2.8923  227.580   24.024  202.609   25.031 24.97099 34.69505 
1 1 1   12    5   21 o  365.990   14.942   36.966   2.9779   43.334   5.1872   33.835   3.6370  388.339   23.422  343.640   18.558 44.69913 29.88346 
1 1 1   12    5   23 o  128.633   30.555   4.6500   2.6480   4.3089   3.8848   4.9460   3.6190  126.357   43.977  130.908   42.431 -4.550659 61.10949 
1 1 1   12    5   25 o  426.315   13.218   52.351   3.2082   52.447   4.6764   52.266   4.4094  426.558   19.224  426.073   18.147 0.4846191 26.43609 
1 1 1   12    5   27 o  186.461   24.288   10.894   2.4774   8.5186   3.6416   12.940   3.3801  163.858   39.444  209.064   28.350 -45.20601 48.57559 
1 1 1   12    5   29 o  150.464   33.989   7.6413   3.2958   6.9334   4.5496   8.4231   4.7808  144.120   47.619  156.808   48.512 -12.68753 67.97839 
1 1 1   12    5   31 o  159.016   31.926   8.5420   3.0397   12.734   4.9287   5.9687   3.8616  187.362   46.376  130.670   43.890 56.69208 63.85179 
1 1 1   12    5   33 o  131.542   28.029   6.7739   2.4150   4.4043   3.7685   8.4251   3.1458  110.325   42.469  152.760   36.592 -42.43575 56.05840 
1 1 1   12    5   35 o   83.811   25.088   0.4476   2.5850  -6.6240   4.1039   5.0988   3.3283   60.149   29.969  107.472   40.243 -47.32321 50.17635 
1 1 1   12    6    2 f  846.740   18.907  206.490   8.6031  207.905   10.554  203.687   14.853  852.027   21.720  841.453   30.953 10.57397 37.81302 
1 1 1   12    6    4 o  731.255   15.409  153.132   6.4252  149.931   9.0666  156.362   9.1068  723.552   21.973  738.959   21.610 -15.40674 30.81852 
1 1 1   12    6    6 o  870.747   18.053  216.513   7.5903  215.736   8.6676  219.067   15.720  868.688   17.496  872.805   31.583 -4.117065 36.10519 
1 1 1   12    6    8 o  497.353   10.703   69.485   2.9875   64.528   3.8415   77.071   4.7522  475.335   14.171  519.372   16.044 -44.03638 21.40674 
1 1 1   12    6   10 o  360.640   22.903   38.356   3.8498   39.128   4.3616   35.632   8.1910  369.872   20.677  351.408   40.873 18.46359 45.80539 
1 1 1   12    6   12 o  453.963   11.938   58.945   3.0864   60.898   4.3044   56.877   4.4279  461.741   16.346  446.185   17.402 15.55600 23.87518 
1 1 1   12    6   14 o  260.715   38.916   20.529   5.7019   15.744   8.2877   24.830   7.8568  228.403   62.026  293.026   47.016 -64.62332 77.83138 
1 1 1   12    6   16 o  234.638   23.074   15.504   2.9213   10.994   3.8039   21.989   4.5612  192.417   35.988  276.859   28.888 -84.44250 46.14877 
1 1 1   12    6   18 o  603.200   13.078  103.957   4.4317  104.781   6.9001  103.379   5.7818  605.071   19.997  601.329   16.860 3.741760 26.15578 
1 1 1   12    6   20 o  409.261   14.630   48.105   3.0647   48.208   3.6139   47.841   5.7833  410.545   15.436  407.978   24.857 2.567657 29.25934 
1 1 1   12    6   22 o  227.373   20.044   14.944   2.5323   10.807   3.4559   19.740   3.7212  193.037   31.392  261.709   24.933 -68.67180 40.08897 
1 1 1   12    6   24 o  102.626   25.752   2.7170   1.9334   1.3561   3.0875   3.5949   2.4798   94.137   37.757  111.114   35.031 -16.97710 51.50475 
1 1 1   12    6   26 o  275.454   16.656   21.801   2.5773   23.874   4.0766   20.421   3.3264  285.830   25.009  265.078   22.004 20.75195 33.31129 
1 1 1   12    6   28 o  123.551   27.906   4.7988   2.3536   2.4243   3.6499   6.4888   3.0793  104.885   41.381  142.217   37.450 -37.33179 55.81108 
1 1 1   12    6   30 o  114.754   34.598   2.3436   4.0207   3.7783   5.0786  -0.0662   6.5816  119.523   48.253  109.984   49.597 9.538918 69.19650 
1 1 1   12    6   32 o   88.874   27.233   1.0322   2.4309   1.5871   4.1697   0.7465   2.9919   96.061   41.527   81.687   35.245 14.37316 54.46693 
1 1 1   12    6   34 o   86.933   25.257   1.8329   2.2734  -2.1023   3.8127   4.0038   2.8319   71.460   34.024  102.406   37.337 -30.94581 50.51407 
1 1 1   12    6   36 o   63.984   20.864  -0.8561   1.9534  -4.7232   3.1381   1.5902   2.4960   53.551   26.603   74.417   32.149 -20.86584 41.72863 
1 1 1   12    7    1 o  232.646   36.242   15.618   4.8085   0.0000   0.0000   15.618   4.8085  ?   ?   232.646   36.242      ?      ? 
1 1 1   12    7    3 o  980.495   21.849  276.464   12.217  273.901   17.251  279.043   17.304  975.910   30.997  985.081   30.802 -9.170715 43.69806 
1 1 1   12    7    5 o  624.283   15.530  111.612   5.5264  115.666   7.8231  107.573   7.8080  635.646   21.581  612.919   22.338 22.72626 31.05988 
1 1 1   12    7    7 o  913.962   14.317  239.356   7.3264  241.085   9.5172  236.840   11.479  918.308   18.173  909.616   22.128 8.691895 28.63374 
1 1 1   12    7    9 o  502.642   19.492   72.895   4.7420   73.309   5.4334   71.571   9.7144  506.394   18.814  498.889   34.144 7.505066 38.98478 
1 1 1   12    7   11 o  636.241   18.590  115.930   5.7175  115.914   6.5374  115.982   11.792  636.908   17.998  635.574   32.532 1.333679 37.17910 
1 1 1   12    7   13 o  1266.97   19.537  458.454   13.210  455.784   16.044  464.071   23.275  1262.32   22.287  1271.62   32.095 -9.299683 39.07441 
1 1 1   12    7   17 o  407.110   19.215   49.579   3.8044   43.639   7.5140   51.627   4.4116  389.312   33.844  424.907   18.206 -35.59546 38.43004 
1 1 1   12    7   19 o  516.426   12.658   75.544   3.5947   79.249   5.9953   73.464   4.4917  525.977   19.987  506.875   15.539 19.10150 25.31670 
1 1 1   12    7   21 o  507.820   19.935   75.234   5.5242   71.473   9.1378   77.400   6.9349  496.779   32.254  518.860   23.437 -22.08127 39.86984 
1 1 1   12    7   23 o  406.695   16.796   46.151   3.8212   39.911   4.8594   56.261   6.1853  372.040   22.903  441.351   24.575 -69.31134 33.59269 
1 1 1   12    7   25 o  244.878   18.505   17.886   2.5076   13.258   3.5955   22.268   3.4989  212.548   29.663  277.208   22.133 -64.66005 37.00983 
1 1 1   12    7   27 o   93.416   25.738   1.8590   1.9682   1.4995   3.0284   2.1219   2.5896   92.794   37.332   94.038   35.442 -1.243599 51.47604 
1 1 1   12    7   29 o   97.631   24.729   2.2424   1.9424  -0.2121   2.7935   4.5397   2.7026   76.266   33.462  118.995   36.419 -42.72966 49.45726 
1 1 1   12    7   31 o  140.618   43.030   7.0137   6.3756   5.4980   9.1791   8.4266   8.8621  135.341   59.963  145.895   61.732 -10.55382 86.06003 
1 1 1   12    7   33 o  105.398   26.670   4.0487   2.0751   3.0416   3.1563   4.8155   2.7540   96.903   38.402  113.893   37.021 -16.98947 53.34086 
1 1 1   12    7   35 o  103.472   28.165   4.8289   2.3738   3.9670   3.4068   5.6421   3.3094   96.429   39.304  110.515   40.352 -14.08530 56.33015 
1 1 1   12    8    2 o  1000.53   19.179  289.811   10.302  279.595   17.717  295.030   12.664  985.982   31.509  1015.08   21.876 -29.10004 38.35804 
1 1 1   12    8    4 o  694.397   15.350  137.992   6.0779  134.850   8.5145  141.256   8.6786  686.334   21.754  702.459   21.664 -16.12439 30.70093 
1 1 1   12    8    6 f  891.796   15.428  227.630   7.8461  225.493   11.112  229.754   11.080  887.602   21.953  895.989   21.684 -8.387146 30.85671 
1 1 1   12    8    8 o  1122.35   14.389  358.581   9.0761  350.661   11.807  370.019   14.190  1107.54   18.694  1137.16   21.881 -29.62390 28.77868 
1 1 1   12    8   10 o  469.002   20.020   61.432   4.1901   60.477   4.6359   65.695   9.7934  460.058   17.670  477.946   35.930 -17.88806 40.03998 
1 1 1   12    8   12 o  1008.67   18.487  288.656   9.0581  286.230   10.358  296.543   18.673  1000.87   18.148  1016.48   32.213 -15.61096 36.97341 
1 1 1   12    8   14 o  522.094   21.942   77.975   6.5331   0.0000   0.0000   77.975   6.5331  ?   ?   522.094   21.942      ?      ? 
1 1 1   12    8   16 o  784.664   16.174  176.765   7.2006  181.519   9.7817  171.141   10.638  796.397   21.537  772.931   24.135 23.46564 32.34735 
1 1 1   12    8   18 o  622.172   17.132  111.715   5.9494  107.700   9.3409  114.456   7.7172  612.295   26.751  632.049   21.410 -19.75348 34.26355 
1 1 1   12    8   20 o  404.732   19.284   45.678   3.5979   49.819   8.0848   44.656   4.0176  414.606   34.193  394.857   17.842 19.74826 38.56808 
1 1 1   12    8   22 o  468.297   16.951   63.302   4.5038   63.884   6.0857   62.598   6.6967  470.958   22.659  465.637   25.218 5.320404 33.90258 
1 1 1   12    8   24 o  134.986   26.853   5.5295   2.1275   5.7025   3.3420   5.4115   2.7586  136.887   40.180  133.085   35.636 3.802124 53.70604 
1 1 1   12    8   26 o  125.147   24.880   4.7946   1.9987   2.2382   2.8870   7.1478   2.7698   98.276   37.329  152.018   32.904 -53.74131 49.76096 
1 1 1   12    8   28 o  121.077   26.025   4.6508   1.9925   3.5714   2.8886   5.6305   2.7520  109.626   37.935  132.528   35.639 -22.90133 52.04997 
1 1 1   12    8   30 o   89.407   25.875   1.4159   2.0934   2.3038   3.1720   0.7309   2.7863   97.225   38.508   81.588   34.573 15.63766 51.75057 
1 1 1   12    8   32 o  133.930   35.313   5.0404   4.2248   14.777   6.5019  -2.0746   5.5582  178.752   56.763   89.109   42.025 89.64339 70.62632 
1 1 1   12    8   34 o   67.861   21.691  -1.8362   1.9954  -5.6924   2.7618   2.3751   2.8862   48.920   24.407   86.801   35.866 -37.88114 43.38292 
1 1 1   12    9    1 o  903.073   21.869  234.393   11.263  235.646   15.970  233.153   15.885  905.474   30.927  900.672   30.927 4.802063 43.73758 
1 1 1   12    9    3 o  869.681   21.727  216.995   10.767  205.631   14.928  229.318   15.544  845.937   30.943  893.426   30.508 -47.48932 43.45339 
1 1 1   12    9    5 o  854.220   19.072  208.334   8.6772  206.733   10.516  211.749   15.361  849.941   21.695  858.500   31.374 -8.559143 38.14458 
1 1 1   12    9    7 o  969.602   15.430  269.013   8.5288  259.079   12.015  279.101   12.109  951.510   22.142  987.693   21.497 -36.18311 30.86086 
1 1 1   12    9    9 o  1576.69   18.322  695.751   14.325  679.687   16.488  745.212   28.930  1542.10   18.748  1611.28   31.484 -69.18359 36.64323 
1 1 1   12    9   11 o  234.465   24.104   8.3446   2.1077   6.3892   2.2015   29.841   7.2994  147.027   27.259  321.904   39.762 -174.8768 48.20868 
1 1 1   12    9   13 o  718.367   21.282  152.347   7.9376  137.282   14.242  159.135   9.5600  690.915   36.145  745.818   22.477 -54.90302 42.56382 
1 1 1   12    9   15 o  569.322   38.222   93.447   12.410   93.447   12.410   0.0000   0.0000  569.322   38.222  ?   ?       ?      ? 
1 1 1   12    9   17 o  874.259   14.737  219.234   7.1564  217.185   11.477  220.538   9.1537  870.489   23.120  878.029   18.281 -7.540283 29.47402 
1 1 1   12    9   19 o  399.544   18.997   45.949   4.3087   40.305   5.9988   51.965   6.1927  374.017   28.124  425.070   25.546 -51.05304 37.99448 
1 1 1   12    9   21 o  299.340   18.814   27.378   3.0228   34.294   4.0412   18.594   4.5546  345.524   20.509  253.156   31.548 92.36763 37.62794 
1 1 1   12    9   23 o  345.013   20.825   34.655   4.0925   34.812   5.6583   34.482   5.9262  346.018   28.675  344.008   30.208 2.010315 41.65006 
1 1 1   12    9   25 o  393.772   17.620   44.425   3.8508   41.766   4.8526   48.948   6.3283  379.030   22.450  408.514   27.164 -29.48401 35.23988 
1 1 1   12    9   27 o  141.993   24.733   6.4301   2.0273   4.7072   2.8792   8.1241   2.8551  122.524   37.606  161.461   32.137 -38.93686 49.46669 
1 1 1   12    9   29 o   95.321   26.649   1.9287   2.1445   3.0528   3.2696   1.0800   2.8410  105.160   39.778   85.482   35.474 19.67844 53.29810 
1 1 1   12    9   31 o  108.852   29.142   3.7389   2.5923   1.7764   3.9619   5.2080   3.4279   96.532   41.079  121.173   41.348 -24.64082 58.28495 
1 1 1   12    9   33 o  125.576   34.697   7.5221   3.7246   5.5239   5.8367   8.8949   4.8377  113.845   49.173  137.306   48.964 -23.46103 69.39336 
1 1 1   12    9   35 o   85.968   23.910   1.0846   2.1328   6.4259   3.1246  -3.5747   2.9184  116.991   39.479   54.945   26.983 62.04633 47.81972 
1 1 1   12   10    0 f   93.339   35.857   3.5389   3.8039   3.5389   3.8039   3.5389   3.8039   93.339   50.710   93.339   50.710 -0.000000 0.000000 
1 1 1   12   10    2 o  1600.53   23.346  736.578   21.308  746.482   30.206  726.767   30.064  1611.29   32.872  1589.76   33.160 21.53613 46.69256 
1 1 1   12   10    4 o  585.282   21.990   98.366   7.3364  102.510   10.463   94.358   10.289  597.458   30.709  573.106   31.482 24.35193 43.97908 
1 1 1   12   10    6 o  461.588   13.488   60.127   3.2416   62.831   6.0203   59.023   3.8468  468.565   22.530  454.611   14.838 13.95413 26.97684 
1 1 1   12   10    8 o  413.523   17.057   49.001   4.0152   45.574   5.6722   52.442   5.6845  398.963   24.930  428.083   23.285 -29.12003 34.11301 
1 1 1   12   10   10 o  421.577   13.908   50.761   2.9404   50.717   3.4225   50.885   5.7463  421.471   14.239  421.682   23.895 -0.2110291 27.81582 
1 1 1   12   10   12 o  652.304   20.374  121.016   6.8303  124.228   12.906  119.766   8.0501  657.521   34.418  647.088   21.815 10.43390 40.74895 
1 1 1   12   10   14 o  701.223   36.127  141.554   14.447  141.554   14.447   0.0000   0.0000  701.223   36.127  ?   ?       ?      ? 
1 1 1   12   10   16 o  645.515   18.232  119.326   6.7043  124.054   9.7658  115.112   9.2203  657.547   26.043  633.483   25.522 24.06378 36.46375 
1 1 1   12   10   18 o  738.393   18.198  156.666   7.6544  158.183   11.113  155.296   10.559  741.667   26.273  735.119   25.186 6.547913 36.39508 
1 1 1   12   10   20 o  277.281   30.051   23.248   4.3714   21.553   7.3279   24.184   5.4466  265.806   50.182  288.757   33.075 -22.95123 60.10115 
1 1 1   12   10   22 o  116.653   33.570   1.9453   3.5027  -4.0382   7.0301   3.9213   4.0399  109.529   50.118  123.777   44.676 -14.24822 67.14026 
1 1 1   12   10   24 o  144.977   37.085   5.7814   4.1770   0.2488   7.3698   8.3998   5.0700  126.391   54.922  163.564   49.847 -37.17212 74.16998 
1 1 1   12   10   26 o  136.150   25.386   5.7274   2.0671   8.0196   3.0223   3.7128   2.8335  160.228   34.121  112.073   37.596 48.15524 50.77128 
1 1 1   12   10   28 o  137.397   26.664   6.1677   2.1522   6.4802   3.1054   5.8788   2.9855  140.615   37.876  134.180   37.541 6.435928 53.32827 
1 1 1   12   10   30 o   80.603   25.149   0.1247   2.1073   0.2241   3.8075   0.0808   2.5301   87.849   38.785   73.356   32.023 14.49291 50.29702 
1 1 1   12   10   32 o   96.668   26.298   2.8755   2.2453  -0.0822   3.6814   4.6273   2.8333   81.100   36.783  112.236   37.595 -31.13557 52.59649 
1 1 1   12   10   34 o   86.456   28.332   1.3199   3.3113   0.9624   4.5046   1.7402   4.8841   84.264   39.113   88.648   40.999 -4.383942 56.66316 
1 1 1   12   11    1 o  842.498   21.998  203.804   10.568  198.740   14.818  209.045   15.074  831.827   31.237  853.169   30.982 -21.34216 43.99618 
1 1 1   12   11    3 o  1057.33   15.637  319.910   9.4287  316.497   13.332  323.325   13.336  1051.67   22.230  1062.99   21.999 -11.32190 31.27493 
1 1 1   12   11    5 o  797.446   21.604  182.482   9.8244  184.224   13.972  180.778   13.817  801.207   30.578  793.686   30.527 7.521057 43.20781 
1 1 1   12   11    7 o  912.773   15.585  238.308   8.1080  227.548   11.396  249.339   11.538  891.860   22.406  933.687   21.669 -41.82678 31.17018 
1 1 1   12   11    9 o  804.047   14.564  186.062   6.5799  177.141   10.078  192.690   8.6866  786.934   22.458  821.161   18.549 -34.22632 29.12767 
1 1 1   12   11   11 o  733.896   20.636  155.767   7.9588  150.939   14.265  157.949   9.5903  724.763   34.512  743.029   22.633 -18.26581 41.27135 
1 1 1   12   11   13 o  392.786   32.305   45.061   7.1084   55.170   10.122   35.223   9.9852  437.271   40.589  348.300   50.270 88.97104 64.61097 
1 1 1   12   11   15 o  608.619   19.815  105.988   6.8776  105.988   6.8776   0.0000   0.0000  608.619   19.815  ?   ?       ?      ? 
1 1 1   12   11   17 o  1219.65   17.970  428.073   12.470  414.283   18.077  440.592   17.225  1200.51   26.404  1238.78   24.382 -38.26453 35.93958 
1 1 1   12   11   19 o  282.124   31.806   23.370   5.1157   23.522   7.3373   23.227   7.1364  282.925   45.475  281.324   44.481 1.601410 63.61271 
1 1 1   12   11   21 o   92.366   30.042  -3.5166   3.5873  -2.7436   5.5062  -4.0867   4.7285   99.312   45.020   85.420   39.791 13.89169 60.08432 
1 1 1   12   11   23 o  222.243   26.483   15.166   3.1988   11.390   4.5660   18.805   4.4828  191.271   42.915  253.215   31.043 -61.94389 52.96582 
1 1 1   12   11   25 f  187.375   40.782   10.931   5.4064   3.1708   7.5481   19.105   7.7472  137.658   57.531  237.092   57.817 -99.43326 81.56389 
1 1 1   12   11   27 o  126.877   26.296   4.7229   2.0406   7.3829   3.3111   3.0938   2.5913  150.657   38.419  103.097   35.915 47.55978 52.59143 
1 1 1   12   11   29 o  105.704   26.827   3.2822   2.2167   0.8464   3.4637   4.9720   2.8850   89.264   38.207  122.144   37.668 -32.88090 53.65352 
1 1 1   12   11   31 o   65.702   21.160  -1.1021   1.8265  -3.5918   2.9671   0.4168   2.3176   59.687   28.830   71.717   30.981 -12.03051 42.32057 
1 1 1   12   11   33 o   58.910   19.303  -1.8774   1.7301  -6.3905   2.8869   0.6519   2.1613   48.939   24.498   68.882   29.837 -19.94323 38.60539 
1 1 1   12   11   35 o   95.217   32.297   6.0660   5.0581   6.9161   7.1732   5.2253   7.1334   97.232   46.397   93.202   44.940 4.030174 64.59336 
1 1 1   12   12    0 o  300.765   20.112   26.549   4.7784   26.549   4.7784   26.549   4.7784  300.765   28.443  300.765   28.443 -0.000000 0.000000 
1 1 1   12   12    2 o  1031.26   22.047  305.246   12.964  312.730   18.407  297.881   18.261  1043.85   30.921  1018.66   31.434 25.19373 44.09322 
1 1 1   12   12    4 f  881.719   15.577  222.420   7.8317  218.245   11.076  226.594   11.075  873.417   22.237  890.022   21.820 -16.60516 31.15463 
1 1 1   12   12    6 f  922.948   21.688  244.361   11.415  245.306   16.135  243.416   16.152  924.747   30.595  921.150   30.746 3.596375 43.37529 
1 1 1   12   12    8 o  766.406   15.590  167.992   6.8131  164.649   9.6016  171.382   9.6691  758.712   22.191  774.099   21.903 -15.38763 31.17948 
1 1 1   12   12   10 o  1538.98   16.171  678.071   14.173  634.622   19.980  722.081   20.108  1489.17   23.526  1588.79   22.193 -99.61670 32.34232 
1 1 1   12   12   12 o  1242.62   20.694  438.206   14.137  425.540   17.655  460.839   23.601  1218.81   25.401  1266.43   32.677 -47.62939 41.38864 
1 1 1   12   12   14 o  714.577   27.630  146.560   11.260  146.560   11.260   0.0000   0.0000  714.577   27.630  ?   ?       ?      ? 
1 1 1   12   12   16 o  307.720   21.950   27.200   3.6565   27.006   4.5046   27.575   6.2605  306.622   25.761  308.817   35.548 -2.195099 43.90068 
1 1 1   12   12   18 o  149.601   28.052   4.8953   3.0587   13.407   4.6335  -1.6784   4.0720  211.181   39.936   88.020   39.406 123.1605 56.10470 
1 1 1   12   12   20 o  203.921   32.084   12.086   3.4275   10.857   4.1165   14.865   6.1885  188.978   39.470  218.863   50.594 -29.88535 64.16887 
1 1 1   12   12   22 o  106.642   34.043  -2.4654   4.3765  -4.4295   6.8965  -1.1411   5.6629  106.335   49.017  106.949   47.255 -0.6134415 68.08568 
1 1 1   12   12   24 o  188.396   32.505   13.731   3.6987   2.3855   7.6077   17.243   4.2327  135.565   57.269  241.227   30.768 -105.6624 65.01093 
1 1 1   12   12   26 o  163.667   30.290   10.425   3.5848   14.384   4.0569  -3.6800   7.6571  217.488   32.709  109.846   50.990 107.6417 60.57927 
1 1 1   12   12   28 o  155.484   27.736   10.067   3.0107   13.264   3.3736  -2.4404   6.6733  208.269   28.404  102.699   47.647 105.5695 55.47109 
1 1 1   12   12   30 o  127.352   25.638   4.3800   2.1109   10.304   3.6504   1.4040   2.5873  171.553   38.283   83.150   34.113 88.40326 51.27676 
1 1 1   12   12   32 f   73.861   23.304  -0.1913   1.9605   1.8833   3.1757  -1.4688   2.4921   86.938   36.879   60.784   28.500 26.15420 46.60833 
1 1 1   12   12   34 o   78.550   26.781   0.1492   2.4106   2.9187   6.9043  -0.2353   2.5725   92.383   44.461   64.717   29.869 27.66596 53.56221 
1 1 1   12   13    1 o  553.083   19.993   87.026   5.9138   89.553   10.418   85.825   7.1834  558.479   32.710  547.687   22.999 10.79279 39.98632 
1 1 1   12   13    3 o  987.889   22.112  280.125   12.453  273.024   17.674  287.125   17.549  975.352   31.775  1000.43   30.758 -25.07434 44.22380 
1 1 1   12   13    5 o  893.308   15.676  228.230   7.9855  226.085   11.229  230.426   11.359  889.063   22.147  897.553   22.191 -8.489868 31.35134 
1 1 1   12   13    7 o  631.911   18.965  112.177   6.5286  107.274   8.0331  121.715   11.205  612.342   23.004  651.480   30.158 -39.13800 37.92981 
1 1 1   12   13    9 o  537.000   13.762   83.274   3.9823   79.812   6.7889   85.090   4.9171  528.176   22.539  545.823   15.797 -17.64624 27.52307 
1 1 1   12   13   11 o  351.312   18.003   35.406   3.5985   36.171   4.9558   34.553   5.2337  355.396   24.452  347.227   26.430 8.168823 36.00601 
1 1 1   12   13   13 f  721.024   24.446  148.998   10.052  148.998   10.052   0.0000   0.0000  721.024   24.446  ?   ?       ?      ? 
1 1 1   12   13   15 o  475.398   16.045   62.135   3.9479   58.740   4.6302   71.176   7.5557  453.086   17.920  497.711   26.620 -44.62555 32.08936 
1 1 1   12   13   17 o  1037.61   17.473  310.673   10.303  289.100   14.836  330.767   14.318  1002.25   25.956  1072.97   23.399 -70.72430 34.94650 
1 1 1   12   13   19 o  224.396   33.028   17.134   3.7381   10.859   7.0478   19.590   4.4095  188.799   58.983  259.993   29.739 -71.19466 66.05645 
1 1 1   12   13   21 o  104.307   34.218  -3.7426   4.4500  -1.2589   5.0545 -12.3030   9.3837  100.503   44.514  108.110   51.980 -7.606316 68.43502 
1 1 1   12   13   23 o  184.132   44.141   9.4080   4.8057   7.8215   5.4512   14.942   10.181  158.606   52.111  209.657   71.261 -51.05138 88.28143 
1 1 1   12   13   25 o  122.350   32.828   3.5322   3.6024  -6.4568   7.3319   6.7109   4.1361  100.391   47.620  144.310   45.202 -43.91827 65.65693 
1 1 1   12   13   27 o  173.198   32.355   11.503   3.5332   4.8128   6.6690   14.114   4.1658  133.871   54.827  212.525   34.371 -78.65396 64.71019 
1 1 1   12   13   29 o  106.531   26.505   3.3311   2.0758   5.4521   3.1253   1.6568   2.7767  125.381   39.296   87.681   35.581 37.69974 53.01051 
1 1 1   12   13   31 o   63.774   20.941  -1.0654   1.7467  -1.7819   3.0529  -0.7166   2.1298   66.895   31.423   60.653   27.689 6.241322 41.88203 
1 1 1   12   13   33 o   74.983   23.429   0.7131   1.9335   2.3898   3.0938  -0.3614   2.4767   85.693   36.378   64.274   29.534 21.41892 46.85794 
1 1 1   12   14    0 o  586.275   16.133   98.613   7.6021   98.613   7.6021   98.613   7.6021  586.275   22.816  586.275   22.816 0.000000 0.000000 
1 1 1   12   14    2 o  1203.29   22.703  415.542   15.578  415.550   22.153  415.534   21.912  1203.26   32.283  1203.32   31.930 -0.6262207E-01 45.40634 
1 1 1   12   14    4 o  846.885   19.176  206.823   8.7708  201.115   14.939  209.826   10.835  837.266   31.287  856.504   22.181 -19.23798 38.35248 
1 1 1   12   14    6 o  1124.79   19.341  369.081   11.677  342.286   19.875  383.205   14.430  1092.07   31.913  1157.50   21.860 -65.42480 38.68227 
1 1 1   12   14    8 o  671.563   18.892  128.867   6.9404  127.993   8.6545  130.442   11.618  668.827   22.690  674.299   30.212 -5.471924 37.78324 
1 1 1   12   14   10 o  418.051   17.577   50.105   4.1838   53.528   5.9278   46.709   5.9057  432.349   24.042  403.753   25.649 28.59583 35.15487 
1 1 1   12   14   12 o  166.928   35.445   8.3308   3.2700   8.3308   3.2700   0.0000   0.0000  166.928   35.445  ?   ?       ?      ? 
1 1 1   12   14   14 o  138.347   36.863   4.2781   3.2831   4.5105   3.6042   3.1453   7.9576  127.665   42.393  149.029   60.318 -21.36358 73.72554 
1 1 1   12   14   16 o  306.949   24.591   27.010   4.2450   21.320   5.7135   34.021   6.3423  270.930   36.979  342.969   32.426 -72.03860 49.18228 
1 1 1   12   14   18 o  235.195   40.997   14.799   5.8894   5.6208   7.4292   30.322   9.6617  156.835   59.807  313.554   56.091 -156.7187 81.99445 
1 1 1   12   14   20 o  319.904   35.412   34.341   3.7968   35.292   4.0447   27.291   11.014  350.189   20.253  289.620   67.867 60.56979 70.82486 
1 1 1   12   14   22 o  191.695   34.840   8.6590   3.6632   20.676   7.3472   4.6836   4.2259  253.755   52.502  129.635   45.812 124.1196 69.67970 
1 1 1   12   14   24 o  137.475   27.644   4.4970   3.1244   11.888   4.2455  -4.2347   4.6146  193.503   39.801   81.447   38.375 112.0561 55.28817 
1 1 1   12   14   26 o   99.824   32.655  -3.6210   4.2576   0.7149   6.8961  -6.2917   5.4122  117.638   52.054   82.009   39.442 35.62894 65.30911 
1 1 1   12   14   28 o  134.861   35.913   4.5816   4.4625  -3.1219   6.3643   12.032   6.2589   96.293   45.276  173.428   55.757 -77.13571 71.82506 
1 1 1   12   14   30 o  103.251   31.373   2.7207   2.4574   2.5812   7.5792   2.7371   2.5977  112.801   51.771   93.701   35.453 19.10031 62.74688 
1 1 1   12   14   32 o   81.110   24.611   1.3207   1.9019   3.0301   3.4139   0.5514   2.2902   93.089   38.779   69.131   30.315 23.95816 49.22257 
1 1 1   12   14   34 o   67.468   29.728  -2.2828   1.9488 -12.8990   4.0327   0.9519   2.2260  ?   ?    67.468   29.728      ?      ? 
1 1 1   12   15    1 o  668.012   15.934  127.671   6.0689  124.745   8.5835  130.595   8.5819  660.333   22.793  675.690   22.271 -15.35669 31.86753 
1 1 1   12   15    3 o  1351.05   22.836  523.931   17.594  530.230   24.990  517.740   24.775  1359.12   32.242  1342.99   32.348 16.13269 45.67207 
1 1 1   12   15    5 o  466.291   16.990   62.242   4.5168   61.783   6.4483   62.685   6.3288  464.579   24.338  468.002   23.713 -3.422485 33.98007 
1 1 1   12   15    7 o  662.303   19.068  127.190   6.8787  120.550   11.426  130.965   8.6148  648.061   30.916  676.544   22.328 -28.48340 38.13582 
1 1 1   12   15    9 o  659.416   16.182  124.471   6.0835  128.613   8.6532  120.423   8.5543  670.290   22.637  648.542   23.129 21.74750 32.36322 
1 1 1   12   15   11 o  760.426   18.681  167.534   7.7764  159.907   12.797  171.999   9.7917  745.875   30.084  774.976   22.155 -29.10156 37.36201 
1 1 1   12   15   13 o  216.788   35.047   13.580   4.3329   0.0000   0.0000   13.580   4.3329  ?   ?   216.788   35.047      ?      ? 
1 1 1   12   15   15 o  485.720   23.093   60.231   5.8363   50.182   6.7747   89.156   11.494  417.222   28.473  554.218   36.365 -136.9962 46.18543 
1 1 1   12   15   17 o  410.856   26.150   49.892   4.4675   50.206   4.8822   48.277   11.077  418.121   20.475  403.591   48.126 14.52972 52.30021 
1 1 1   12   15   19 o  325.164   37.800   31.322   6.7311   24.611   8.7046   41.302   10.616  279.898   56.480  370.429   50.252 -90.53177 75.59926 
1 1 1   12   15   21 o  433.213   14.523   54.316   3.5553   53.692   5.3853   54.798   4.7334  430.596   21.930  435.830   19.044 -5.233643 29.04509 
1 1 1   12   15   23 o  272.303   35.565   23.782   5.2371   26.681   8.3162   21.876   6.7419  284.055   53.295  260.550   47.107 23.50491 71.12961 
1 1 1   12   15   25 o   87.508   28.995  -3.6943   3.6261  -2.8999   4.8247  -4.7253   5.4969   87.266   40.497   87.750   41.509 -0.4837341 57.99086 
1 1 1   12   15   27 o  213.244   44.406   18.353   6.0286   26.831   9.1572   11.867   8.0091  257.024   62.969  169.464   62.630 87.56023 88.81219 
1 1 1   12   15   29 o  157.665   33.041   9.7855   3.2757   12.353   4.6872   7.3341   4.5798  179.282   45.706  136.048   47.726 43.23448 66.08190 
1 1 1   12   15   31 o   68.387   22.707  -0.7990   1.9644  -2.7812   4.2910  -0.2734   2.2095   73.320   35.226   63.454   28.664 9.866318 45.41478 
1 1 1   12   15   33 o   72.957   23.864   0.6098   2.1213   0.0819   4.3522   0.7743   2.4294   76.955   36.557   68.958   30.686 7.997078 47.72853 
1 1 1   12   16    0 o  1803.05   16.943  929.266   24.629  929.266   24.629  929.266   24.629  1803.05   23.962  1803.05   23.962 0.000000 0.000000 
1 1 1   12   16    2 f  1687.95   16.715  815.472   16.089  799.066   22.693  832.054   22.813  1670.84   23.816  1705.07   23.461 -34.23547 33.43090 
1 1 1   12   16    4 o  946.681   22.415  257.454   12.095  250.277   17.208  264.461   17.004  933.505   32.324  959.856   31.064 -26.35034 44.83075 
1 1 1   12   16    6 o  426.729   17.804   52.164   4.3327   52.117   6.1108   52.211   6.1441  426.541   25.122  426.917   25.236 -0.3752136 35.60828 
1 1 1   12   16    8 o  327.655   23.529   30.851   4.3858   30.424   5.9786   31.349   6.4534  325.289   32.228  330.021   34.289 -4.731476 47.05739 
1 1 1   12   16   10 o  302.944   17.289   27.237   2.7866   29.182   3.4501   23.587   4.7264  319.382   18.942  286.505   28.927 32.87753 34.57713 
1 1 1   12   16   12 o  504.448   22.049   73.567   6.3202   79.915   8.8818   67.054   8.9956  526.836   29.562  482.060   32.722 44.77536 44.09789 
1 1 1   12   16   14 o  150.664   43.401   2.0317   6.2910  -5.9289   9.9816   7.2776   8.1029  130.379   59.681  170.950   63.031 -40.57094 86.80268 
1 1 1   12   16   16 o  879.543   21.488  223.044   10.000  221.394   12.057  226.679   17.899  876.857   24.112  882.229   35.576 -5.371216 42.97694 
1 1 1   12   16   18 o  527.121   18.510   79.192   5.4293   75.153   6.8818   85.850   8.8355  510.300   23.647  543.943   28.483 -33.64297 37.02000 
1 1 1   12   16   20 o  526.491   19.129   81.595   4.2929   79.613   10.348   82.007   4.7180  518.676   34.985  534.307   15.484 -15.63129 38.25786 
1 1 1   12   16   22 o  180.985   33.346   10.373   3.5286   13.974   5.3152   7.5352   4.7183  208.209   45.991  153.762   48.298 54.44682 66.69218 
1 1 1   12   16   24 o  172.831   38.653   7.4452   3.9778   18.512   8.1086   3.9379   4.5648  224.066   61.562  121.596   46.759 102.4703 77.30592 
1 1 1   12   16   26 o  147.806   40.204   5.7621   6.1290 -11.7030   10.709   14.270   7.4742  107.146   52.426  188.466   60.967 -81.32034 80.40772 
1 1 1   12   16   28 o  152.631   39.131   10.043   4.4874   8.0895   6.8348   11.523   5.9492  140.322   56.213  164.941   54.451 -24.61943 78.26180 
1 1 1   12   16   30 f   71.059   23.357  -0.4237   1.8922  -1.8043   4.3797  -0.1069   2.0981   78.371   37.066   63.747   28.431 14.62425 46.71381 
1 1 1   12   16   32 o   90.019   28.789   1.7654   2.2792   7.4827   5.9431   0.7795   2.4680  109.619   48.423   70.418   31.151 39.20072 57.57774 
1 1 1   12   17    1 o  243.902   22.357   17.039   3.1053   18.245   4.5244   15.965   4.2698  252.048   31.476  235.755   31.758 16.29308 44.71346 
1 1 1   12   17    3 o  869.702   15.793  216.487   7.8323  212.588   11.062  220.406   11.091  861.825   22.508  877.579   22.161 -15.75342 31.58649 
1 1 1   12   17    5 o  287.126   31.030   25.002   4.7712   18.259   6.9560   30.993   6.5567  246.151   51.219  328.102   35.042 -81.95084 62.05928 
1 1 1   12   17    7 o  609.888   16.520  106.560   5.7459  107.169   8.1468  105.958   8.1053  611.622   23.357  608.153   23.370 3.468872 33.04079 
1 1 1   12   17    9 o  477.761   21.825   65.552   5.9385   61.164   8.2045   70.381   8.6066  460.953   31.211  494.569   30.515 -33.61661 43.64925 
1 1 1   12   17   11 o  676.100   21.843  132.023   8.4015  142.234   11.866  121.758   11.897  702.662   29.612  649.537   32.118 53.12408 43.68546 
1 1 1   12   17   13 o  406.061   18.539   47.436   4.2901   48.209   6.2043   46.728   5.9387  409.175   26.588  402.948   25.843 6.226990 37.07856 
1 1 1   12   17   15 o  266.981   48.388   23.315   7.5300   17.241   11.444   27.953   9.9995  234.782   75.386  299.181   60.683 -64.39824 96.77574 
1 1 1   12   17   17 o  307.304   23.020   25.581   3.8159   33.809   6.8909   21.942   4.5827  339.732   35.567  274.876   29.234 64.85632 46.03952 
1 1 1   12   17   19 o  301.390   28.630   29.127   4.3497   32.655   5.4016   22.619   7.3361  334.399   28.324  268.381   49.764 66.01785 57.26000 
1 1 1   12   17   21 o  272.560   37.579   23.945   5.5629   26.934   8.7226   21.896   7.2223  285.380   55.594  259.740   50.577 25.63974 75.15818 
1 1 1   12   17   23 o  141.494   34.966   3.7895   3.6961  -0.4921   4.5197   12.434   6.4222   95.059   42.098  187.929   55.841 -92.86946 69.93205 
1 1 1   12   17   25 o  111.065   37.174  -4.5906   5.0223   2.9276   10.424  -6.8637   5.7315  139.419   62.685   82.711   39.980 56.70763 74.34896 
1 1 1   12   17   27 o   96.108   31.859  -2.2478   4.3805  -1.1502   5.6925  -3.8415   6.8594   96.254   44.427   95.961   45.675 0.2934875 63.71760 
1 1 1   12   17   29 o   83.536   28.652  -4.4816   4.2676  -6.3432   6.4744  -3.0514   5.6750   82.244   40.350   84.828   40.690 -2.584381 57.30444 
1 1 1   12   17   31 o   88.753   29.417   0.3760   3.4019  -2.1103   4.1053   5.8254   6.0777   71.437   34.356  106.068   47.761 -34.63084 58.83399 
1 1 1   12   18    0 o  1022.28   15.912  299.041   13.105  299.041   13.105  299.041   13.105  1022.28   22.503  1022.28   22.503 -0.000000 0.000000 
1 1 1   12   18    2 o  804.909   15.834  185.498   7.2670  190.134   10.322  180.941   10.233  814.909   22.210  794.909   22.574 20.00000 31.66763 
1 1 1   12   18    4 o  1168.59   16.019  391.083   10.674  401.943   15.184  380.475   15.007  1184.67   22.475  1152.52   22.833 32.15271 32.03860 
1 1 1   12   18    6 o  193.095   39.514   10.057   4.4116   15.274   7.8102   7.6124   5.3462  223.793   59.978  162.397   51.461 61.39616 79.02888 
1 1 1   12   18    8 o  118.893   28.455   3.8426   2.3031   4.4234   3.0130   3.0261   3.5721  123.884   38.543  113.903   41.872 9.980988 56.91088 
1 1 1   12   18   10 o  102.331   28.718   1.6539   2.5061   1.1982   3.5839   2.0899   3.5058   99.348   40.383  105.313   40.843 -5.965645 57.43668 
1 1 1   12   18   12 o  561.338   14.642   89.909   4.3871   91.798   7.7420   89.016   5.3244  565.064   24.025  557.612   16.744 7.451904 29.28393 
1 1 1   12   18   14 o  532.442   24.091   77.578   6.2145   92.102   13.260   73.490   7.0350  559.868   41.531  505.017   24.427 54.85120 48.18141 
1 1 1   12   18   16 o  496.008   25.675   68.725   5.0236   77.106   13.750   67.434   5.3967  507.719   47.487  484.298   19.540 23.42148 51.35030 
1 1 1   12   18   18 o  194.219   41.263   11.369   4.8984   16.081   7.9244   8.4552   6.2315  221.635   60.844  166.803   55.755 54.83289 82.52679 
1 1 1   12   18   20 o  332.947   26.807   35.283   4.7676   41.047   6.1520   26.616   7.5436  372.824   28.935  293.071   45.135 79.75287 53.61323 
1 1 1   12   18   22 o  242.647   32.321   29.202   3.2895   4.8613   8.8024   33.152   3.5464  147.733   61.962  337.561   18.422 -189.8278 64.64263 
1 1 1   12   18   24 o  219.320   27.985   16.128   3.3188   21.407   4.6482   10.638   4.7402  263.829   30.893  174.811   46.672 89.01797 55.97075 
1 1 1   12   18   26 o  136.274   38.507   4.0274   5.0883  -3.5341   6.8028   13.630   7.6662   97.235   46.049  175.312   61.731 -78.07709 77.01467 
1 1 1   12   18   28 o   76.749   25.556  -2.6727   2.9807  -5.7807   4.3542   0.0684   4.0891   67.963   33.291   85.535   38.784 -17.57211 51.11246 
1 1 1   12   18   30 o   72.910   25.175  -3.9689   2.7651   1.8544   5.3064  -6.1395   3.2397   92.518   42.770   53.302   26.568 39.21541 50.34991 
1 1 1   12   18   32 o   71.473   23.984   0.4189   2.1044  -0.7121   5.6411   0.6018   2.2682   77.477   37.939   65.469   29.353 12.00847 47.96838 
1 1 1   12   19    1 o  644.328   16.250  118.967   5.9710  120.257   8.4798  117.700   8.4091  647.794   22.954  640.863   23.009 6.931396 32.50037 
1 1 1   12   19    3 o  605.044   16.372  104.926   5.6419  112.149   8.0515   97.957   7.9081  625.580   22.568  584.507   23.724 41.07355 32.74383 
1 1 1   12   19    5 o  1117.04   15.993  357.666   10.186  368.453   14.495  347.142   14.316  1133.73   22.419  1100.35   22.814 33.37891 31.98563 
1 1 1   12   19    7 o  817.902   24.318  193.747   11.322  184.256   16.217  202.772   15.814  797.911   35.639  837.893   33.096 -39.98163 48.63610 
1 1 1   12   19    9 o  474.198   22.887   65.052   6.1851   67.511   8.7205   62.563   8.7738  483.368   31.635  465.028   33.084 18.33972 45.77468 
1 1 1   12   19   11 o  747.777   21.955  161.808   9.3578  166.716   13.187  156.829   13.282  759.408   30.449  736.147   31.637 23.26129 43.90940 
1 1 1   12   19   13 o  379.731   29.063   39.592   5.0924   47.452   11.631   37.728   5.6641  398.267   51.211  361.195   27.498 37.07138 58.12635 
1 1 1   12   19   15 o  242.314   38.900   24.357   4.6282   4.6332   11.840   27.914   5.0283  174.507   72.418  310.121   28.431 -135.6146 77.79923 
1 1 1   12   19   17 o  219.270   44.703   16.436   5.5764   12.181   11.526   17.736   6.3717  201.169   74.977  237.372   48.702 -36.20268 89.40615 
1 1 1   12   19   19 o  116.086   32.878   2.9248   3.0325  -4.1005   7.7207   4.2063   3.2975  112.160   51.758  120.013   40.557 -7.852791 65.75542 
1 1 1   12   19   21 o  156.837   35.874   5.9195   3.9566   1.0265   4.9176   14.901   6.6627  106.819   45.618  206.855   55.379 -100.0354 71.74891 
1 1 1   12   19   23 o  160.284   41.581   9.3219   5.0890   6.6236   8.1253   11.064   6.5280  147.773   60.519  172.794   57.039 -25.02092 83.16222 
1 1 1   12   19   25 o  122.381   36.020  -2.6079   5.0041 -13.7486   6.6007   12.449   7.6736   75.012   37.473  169.750   61.527 -94.73743 72.04007 
1 1 1   12   19   27 o  117.713   35.561   4.5774   4.3914   1.3883   6.7197   6.9545   5.8016  106.267   48.763  129.159   51.773 -22.89189 71.12174 
1 1 1   12   19   29 o   90.221   30.492  -1.0154   4.2735   3.1498   6.7485  -3.8038   5.5217  102.139   47.564   78.303   38.168 23.83578 60.98489 
1 1 1   12   19   31 f  113.363   32.304   5.3557   2.7396   14.768   5.9079   2.7772   3.0922  142.021   53.531   84.705   36.174 57.31617 64.60734 
1 1 1   12   20    0 o  709.714   16.426  144.521   9.3794  144.521   9.3794  144.521   9.3794  709.714   23.230  709.714   23.230 0.000000 0.000000 
1 1 1   12   20    2 o  802.141   16.202  184.548   7.4086  192.176   10.551  177.129   10.406  818.554   22.601  785.729   23.222 32.82532 32.40497 
1 1 1   12   20    4 o  613.270   16.499  107.834   5.7661  113.651   8.2956  102.396   8.0205  629.293   23.115  597.247   23.548 32.04651 32.99737 
1 1 1   12   20    6 o  264.464   21.521   20.167   3.2165   23.966   4.6655   16.725   4.4404  288.394   28.367  240.534   32.371 47.85945 43.04161 
1 1 1   12   20    8 o  695.537   36.162  140.506   14.344   0.0000   0.0000  140.506   14.344  ?   ?   695.537   36.162      ?      ? 
1 1 1   12   20   10 o  296.002   26.717   25.660   4.4411   31.407   6.3884   20.286   6.1783  328.832   34.066  263.172   41.165 65.65961 53.43311 
1 1 1   12   20   12 o  680.630   31.251  134.638   12.130   0.0000   0.0000  134.638   12.130  ?   ?   680.630   31.251      ?      ? 
1 1 1   12   20   14 o  606.683   23.176  102.887   6.8070  116.545   14.380   98.943   7.7275  627.870   40.161  585.495   23.143 42.37439 46.35168 
1 1 1   12   20   16 o  431.815   30.033   56.199   5.8370   55.974   13.094   56.255   6.5207  424.078   54.141  439.551   26.013 -15.47369 60.06571 
1 1 1   12   20   18 o  162.495   44.935   6.6786   5.3442   8.7689   11.012   6.0345   6.1123  178.223   71.368  146.767   54.619 31.45540 89.86984 
1 1 1   12   20   20 o  520.624   23.284   82.948   6.7957   76.902   10.351   87.528   9.0094  500.494   36.265  540.754   29.215 -40.25949 46.56844 
1 1 1   12   20   22 o  242.592   26.165   18.792   3.4052   13.153   4.6771   25.151   4.9674  198.357   42.617  286.827   30.368 -88.47021 52.32989 
1 1 1   12   20   24 o  242.976   49.215   25.092   7.4041   41.047   12.142   15.647   9.3419  302.647   71.489  183.304   67.661 119.3435 98.43089 
1 1 1   12   20   26 o  137.003   42.256   7.2225   5.3145   13.809   11.564   5.4591   5.9838  151.707   67.254  122.298   51.177 29.40876 84.51199 
1 1 1   12   20   28 o  117.464   34.780   6.4330   3.9233   4.7530   5.3321   8.4162   5.7933  108.116   46.849  126.811   51.417 -18.69453 69.55901 
1 1 1   12   20   30 o   67.246   23.805  -5.2698   3.0748  -7.1307   3.6526  -0.7438   5.6964   53.836   27.034   80.656   39.191 -26.82017 47.61075 
1 1 1   12   21    1 o  467.683   17.872   63.043   4.7555   59.083   6.7989   66.837   6.6541  453.105   26.311  482.261   24.194 -29.15533 35.74437 
1 1 1   12   21    3 o  325.064   20.163   30.510   3.7205   26.893   5.2160   34.255   5.3084  305.240   29.964  344.889   26.989 -39.64935 40.32700 
1 1 1   12   21    5 o  460.107   17.650   60.898   4.6310   60.086   6.5227   61.724   6.5761  457.004   25.027  463.210   24.894 -6.206818 35.29988 
1 1 1   12   21    7 o  756.989   16.176  164.729   6.9821  163.343   9.9436  166.077   9.8062  753.779   23.132  760.198   22.619 -6.418335 32.35287 
1 1 1   12   21   11 o  263.136   21.013   21.008   2.9047   17.581   4.9789   22.775   3.5763  245.102   35.620  281.170   22.304 -36.06833 42.02660 
1 1 1   12   21   13 o  220.025   41.372   15.026   4.4402   15.228   10.487   14.982   4.9012  218.260   72.306  221.790   40.231 -3.529953 82.74477 
1 1 1   12   21   15 o  148.047   35.697   7.0138   3.1966  -4.4679   10.491   8.1888   3.3562  133.258   61.068  162.837   36.984 -29.57971 71.39356 
1 1 1   12   21   17 o  125.636   32.758   2.3822   2.6423   8.5618   5.9756   0.8802   2.9460  163.706   54.597   87.567   36.213 76.13892 65.51551 
1 1 1   12   21   19 o  269.583   36.550   18.397   2.5563   32.417   11.663   17.689   2.6200  292.603   70.686  246.563   18.633 46.04004 73.10065 
1 1 1   12   21   21 o  223.990   35.744   18.843   4.0205   14.422   8.2610   20.215   4.6023  191.423   64.195  256.557   31.455 -65.13463 71.48726 
1 1 1   12   21   23 o  127.067   34.854   3.9538   3.7918   9.4581   5.9450   0.1792   4.9231  156.358   54.403   97.776   43.583 58.58248 69.70786 
1 1 1   12   21   25 o  100.405   31.480   1.5984   3.4996  -1.8444   6.8248   2.8266   4.0763   98.409   46.459  102.401   42.493 -3.992279 62.96095 
1 1 1   12   21   27 o   98.137   33.480  -0.0056   4.9905  -1.9498   10.949   0.5043   5.6067  103.573   51.133   92.701   43.231 10.87193 66.95934 
1 1 1   12   21   29 o   64.379   30.059  -1.3819   2.6450 -13.2650   11.093  -0.6657   2.7236  ?   ?    64.379   30.059      ?      ? 
1 1 1   12   22    0 o  485.033   17.765   67.935   6.9067   67.935   6.9067   67.935   6.9067  485.033   25.123  485.033   25.123 -0.000000 0.000000 
1 1 1   12   22    2 o  438.582   18.498   55.319   4.6223   52.521   6.3863   58.397   6.6989  426.945   26.229  450.219   26.091 -23.27423 36.99577 
1 1 1   12   22    4 f  457.192   17.550   60.373   4.5583   54.683   6.4750   65.963   6.4183  435.542   26.068  478.842   23.503 -43.30032 35.09948 
1 1 1   12   22    6 o  125.389   29.588   3.7617   2.7769   7.2596   3.8810   0.0929   3.9748  154.624   42.635   96.154   41.037 58.46986 59.17566 
1 1 1   12   22    8 o  469.047   24.240   64.342   6.4668   69.081   9.0978   59.503   9.1938  487.008   32.757  451.086   35.739 35.92178 48.48005 
1 1 1   12   22   10 o  558.391   28.889   92.170   9.1948   92.773   13.236   91.608   12.783  559.862   41.454  556.920   40.249 2.941528 57.77891 
1 1 1   12   22   12 o  293.809   32.074   25.305   5.3742   0.0000   0.0000   25.305   5.3742  ?   ?   293.809   32.074      ?      ? 
1 1 1   12   22   14 o  653.928   23.379  123.874   7.6574  132.481   15.145  120.919   8.8753  663.214   40.043  644.641   24.142 18.57367 46.75797 
1 1 1   12   22   16 o  407.928   26.612   43.302   4.6952   62.892   12.083   39.818   5.0957  447.118   47.387  368.738   24.232 78.38000 53.22301 
1 1 1   12   22   18 o  129.050   36.680   4.2056   2.9884  -1.2782   10.669   4.6724   3.1130  135.615   61.935  122.484   39.317 13.13083 73.36063 
1 1 1   12   22   20 o  198.201   40.086   11.908   3.1748   18.130   11.225   11.367   3.3100  203.484   74.314  192.919   30.085 10.56468 80.17262 
1 1 1   12   22   22 o  101.066   33.317   3.2251   2.2276   0.0000   0.0000   3.2251   2.2276  ?   ?   101.066   33.317      ?      ? 
1 1 1   12   22   24 o   98.495   31.371   1.5452   3.0813 -12.8695   11.065   2.7569   3.2082   99.112   49.353   97.878   38.739 1.233231 62.74138 
1 1 1   12   22   26 o  124.039   34.956   6.9131   3.3465   4.9163   11.242   7.1072   3.5054  116.251   56.144  131.827   41.659 -15.57607 69.91154 
1 1 1   12   22   28 o   96.016   35.780   2.3680   2.5560 -23.2666   11.235   3.7672   2.6248  ?   ?    96.016   35.780      ?      ? 
1 1 1   12   23    1 o  376.887   20.009   41.046   4.2966   38.871   5.9420   43.428   6.2203  366.416   28.436  387.357   28.158 -20.94144 40.01849 
1 1 1   12   23    3 o  597.870   16.891  103.058   5.7560   98.642   8.0977  107.568   8.1835  584.815   24.280  610.926   23.489 -26.11035 33.78226 
1 1 1   12   23    5 o  175.451   30.144   9.2545   3.0174   6.8560   4.0556   12.228   4.5160  150.569   44.281  200.333   40.912 -49.76353 60.28731 
1 1 1   12   23    7 f  539.430   24.086   85.287   7.3841   92.662   10.398   77.784   10.488  563.671   32.346  515.190   35.698 48.48175 48.17244 
1 1 1   12   23    9 o  102.503   28.201   1.2314   2.4871  -0.9428   3.2828   4.1610   3.8106   80.949   35.862  124.057   43.534 -43.10765 56.40265 
1 1 1   12   23   11 o  213.064   41.586   13.368   4.6635   11.830   5.3570   18.180   9.4767  193.208   48.649  232.919   67.459 -39.71005 83.17101 
1 1 1   12   23   13 o  163.845   43.595   8.5033   4.1449   0.0000   0.0000   8.5033   4.1449  ?   ?   163.845   43.595      ?      ? 
1 1 1   12   23   15 o  129.243   31.890   5.4467   2.8008 -12.6528   10.305   6.8904   2.9104  110.161   53.335  148.325   34.976 -38.16416 63.78025 
1 1 1   12   23   17 o  112.952   36.538  -0.7352   2.3247   7.1787   10.102  -1.1778   2.3889  160.878   66.837   65.027   29.546 95.85092 73.07661 
1 1 1   12   23   19 o   69.143   26.773  -5.3070   1.6386 -13.6051   10.185  -5.0865   1.6602  102.819   50.477   35.467   17.864 67.35218 53.54512 
1 1 1   12   23   21 o  125.117   37.618   2.5807   2.1267   11.132   10.570   2.2198   2.1711  161.254   67.779   88.980   32.654 72.27352 75.23500 
1 1 1   12   23   23 o  102.546   34.790   3.5127   2.4266   0.0000   0.0000   3.5127   2.4266  ?   ?   102.546   34.790      ?      ? 
1 1 1   12   23   25 o   84.423   29.920  -0.4195   1.8144   2.4094   10.408  -0.5081   1.8426  111.494   53.889   57.352   26.016 54.14175 59.84009 
1 1 1   12   23   27 f   80.749   27.467  -0.8483   3.5178   0.0000   6.0415  -1.2834   4.3269   86.480   41.612   75.018   35.863 11.46265 54.93405 
1 1 1   12   24    0 o  355.881   21.004   37.198   5.9321   37.198   5.9321   37.198   5.9321  355.881   29.705  355.881   29.705 -0.000000 0.000000 
1 1 1   12   24    2 o  140.577   31.832   5.8223   2.8849   6.1886   3.8570   5.3572   4.3463  143.530   43.418  137.623   46.561 5.907394 63.66389 
1 1 1   12   24    4 o  538.727   17.257   83.878   5.3011   82.023   7.4821   85.746   7.5117  532.683   24.630  544.772   24.179 -12.08966 34.51432 
1 1 1   12   24    6 o  676.408   23.706  134.042   9.1290  135.988   13.343  132.330   12.517  680.538   34.381  672.278   32.648 8.260559 47.41262 
1 1 1   12   24    8 o  559.493   15.198   89.259   4.4147   93.384   8.2292   87.592   5.2312  566.956   25.452  552.030   16.617 14.92572 30.39578 
1 1 1   12   24   10 o  669.950   16.999  130.417   6.4913  134.808   9.3611  126.350   9.0091  680.761   24.112  659.138   23.967 21.62329 33.99731 
1 1 1   12   24   12 o  334.100   41.786   37.066   7.7324   33.160   11.093   40.757   10.784  310.791   64.691  357.408   52.908 -46.61703 83.57162 
1 1 1   12   24   14 o  110.873   51.563  -4.4201   7.8887   0.0000   0.0000  -4.4201   7.8887  ?   ?   110.873   51.563      ?      ? 
1 1 1   12   24   16 o  318.263   31.602   27.789   4.2333   41.039   11.178   25.570   4.5740  344.260   56.936  292.267   27.443 51.99353 63.20449 
1 1 1   12   24   18 o  223.880   39.221   20.375   4.2741   14.376   11.038   21.433   4.6358  183.826   72.142  263.934   30.799 -80.10782 78.44118 
1 1 1   12   24   20 o  104.050   29.647   2.6400   2.2071   2.7673   5.4585   2.6151   2.4131  113.438   48.243   94.663   34.473 18.77545 59.29441 
1 1 1   12   24   22 o  145.325   38.636   7.5971   3.2572   0.0000   0.0000   7.5971   3.2572  ?   ?   145.325   38.636      ?      ? 
1 1 1   12   24   24 o   86.304   29.186   0.7493   1.9373  -2.8514   10.337   0.8803   1.9722  102.577   50.457   70.031   29.348 32.54681 58.37190 
1 1 1   12   24   26 o   63.809   23.789  -2.2394   1.5903 -11.8073   10.651  -2.0213   1.6083   83.998   42.640   43.620   21.107 40.37870 47.57809 
1 1 1   12   25    1 o  486.533   17.911   68.640   4.9654   64.760   6.9415   72.707   7.1058  472.312   25.771  500.754   24.883 -28.44202 35.82290 
1 1 1   12   25    3 o  756.175   16.725  165.676   7.2098  163.667   10.297  167.607   10.098  751.490   24.027  760.861   23.272 -9.371338 33.44999 
1 1 1   12   25    5 o  343.599   29.764   35.825   5.7696   39.352   7.9075   31.809   8.4370  363.442   38.151  323.755   45.696 39.68677 59.52869 
1 1 1   12   25    7 o  162.843   34.935   8.4243   3.5641   6.7981   5.4594   9.6321   4.7051  151.393   52.165  174.293   46.482 -22.90028 69.86967 
1 1 1   12   25    9 o  242.300   26.858   17.829   3.6028   20.857   5.2697   15.171   4.9368  264.050   34.995  220.550   40.752 43.49998 53.71575 
1 1 1   12   25   11 o  220.887   37.286   18.264   4.2498   10.772   9.2427   20.273   4.7858  181.507   67.240  260.267   32.243 -78.76028 74.57142 
1 1 1   12   25   13 o  273.445   47.764   27.712   7.4031   27.834   10.619   27.598   10.326  273.264   68.323  273.626   66.765 -0.3625183 95.52802 
1 1 1   12   25   15 o  251.030   64.300   23.940   9.2460   0.0000   0.0000   23.940   9.2460  ?   ?   251.030   64.300      ?      ? 
1 1 1   12   25   17 o  157.398   38.035   8.4545   3.2854   7.8786   10.017   8.5239   3.4777  154.783   65.570  160.012   38.564 -5.228317 76.07009 
1 1 1   12   25   19 o  120.815   34.413   4.5429   3.1762  -2.4760   9.8624   5.3551   3.3550  116.859   55.372  124.772   40.876 -7.913124 68.82549 
1 1 1   12   25   21 o   91.947   36.457   2.3150   2.8460   0.0000   0.0000   2.3150   2.8460  ?   ?    91.947   36.457      ?      ? 
1 1 1   12   25   23 o  102.110   29.499   3.6983   2.6813   1.6378   5.4488   4.3567   3.0800   97.075   44.306  107.146   38.958 -10.07114 58.99747 
1 1 1   12   25   25 o   89.779   29.407   2.1184   2.3219   1.6040   10.328   2.1458   2.3829   98.213   48.699   81.346   32.978 16.86655 58.81436 
1 1 1   12   26    0 o  139.197   38.417   7.8299   4.1189   7.8299   4.1189   7.8299   4.1189  139.197   54.330  139.197   54.330 -0.000000 0.000000 
1 1 1   12   26    2 o  515.177   18.205   77.481   5.3471   79.233   7.5447   75.713   7.5794  521.195   25.383  509.159   26.103 12.03659 36.40982 
1 1 1   12   26    4 o  523.792   24.254   81.677   7.2419   80.588   10.073   82.842   10.419  520.411   33.941  527.172   34.656 -6.761353 48.50777 
1 1 1   12   26    6 o  587.891   17.675  100.995   5.9186  102.978   8.6180   99.224   8.1426  593.059   25.481  582.723   24.502 10.33594 35.35016 
1 1 1   12   26    8 o  420.297   19.741   52.676   4.6838   46.662   6.8326   58.008   6.4331  396.176   30.242  444.417   25.383 -48.24075 39.48217 
1 1 1   12   26   10 o  280.893   24.641   24.063   3.9263   22.696   5.7361   25.268   5.3856  272.289   36.940  289.496   32.621 -17.20740 49.28167 
1 1 1   12   26   12 o  107.942   34.457   0.2071   3.4082  -1.6710   8.8811   0.5314   3.6908  123.758   56.516   92.125   39.436 31.63323 68.91464 
1 1 1   12   26   14 o  152.567   35.077   8.7752   3.5365  -0.3976   9.4673   10.263   3.8125  128.063   58.431  177.071   38.824 -49.00809 70.15308 
1 1 1   12   26   16 o  105.116   43.248   2.3369   4.1734   0.0000   0.0000   2.3369   4.1734  ?   ?   105.116   43.248      ?      ? 
1 1 1   12   26   18 o  106.600   35.237  -1.0780   4.9385  -2.4135   9.2342  -0.5430   5.8446  113.145   53.603  100.054   45.752 13.09024 70.47341 
1 1 1   12   26   20 o  121.802   42.932   5.5569   3.7089   0.0000   0.0000   5.5569   3.7089  ?   ?   121.802   42.932      ?      ? 
1 1 1   12   26   22 o   77.661   26.533  -0.9509   2.3026  -2.2196   6.9699  -0.7955   2.4395   91.699   44.267   63.623   29.263 28.07560 53.06552 
1 1 1   12   26   24 o   92.181   28.911  -1.0841   2.2529   11.193   5.7483  -3.3123   2.4488  133.226   52.124   51.136   25.031 82.09071 57.82277 
1 1 1   12   27    1 o  112.239   30.676   2.5327   2.8256   4.5167   4.2778   0.9971   3.7635  127.192   45.963   97.286   40.638 29.90543 61.35207 
1 1 1   12   27    3 o  148.536   38.390   6.4781   4.1461   6.7501   5.1635   5.9846   6.9561  147.921   50.745  149.152   57.620 -1.231766 76.77940 
1 1 1   12   27    5 o  401.317   16.441   47.285   3.4743   47.514   4.1885   46.779   6.2204  404.928   18.138  397.706   27.426 7.221466 32.88110 
1 1 1   12   27    7 o  491.116   18.426   71.224   5.1516   77.252   7.4202   65.614   7.1579  511.567   25.434  470.664   26.667 40.90271 36.85184 
1 1 1   12   27    9 o  506.914   18.709   76.427   5.4081   77.961   7.6837   74.921   7.6132  512.070   26.312  501.758   26.606 10.31216 37.41898 
1 1 1   12   27   11 o  344.641   36.222   43.462   5.4351   33.341   10.998   46.733   6.2519  295.100   66.893  394.182   27.812 -99.08170 72.44401 
1 1 1   12   27   13 o  160.943   38.754   9.0169   3.6739   8.6509   9.3297   9.0841   3.9969  158.280   64.839  163.605   42.467 -5.324249 77.50837 
1 1 1   12   27   15 o  107.859   32.276   2.6902   2.2990  -2.4430   9.2363   3.0293   2.3737  116.268   54.628   99.451   34.389 16.81689 64.55149 
1 1 1   12   27   21 f  115.602   38.673   5.6047   6.7467   9.6519   9.8522   2.0311   9.2579  124.530   57.818  106.674   51.375 17.85586 77.34521 
1 1 1   12   27   23 o   84.271   28.013   1.4412   2.3353  -2.0251   9.7945   1.6501   2.4047   91.641   45.760   76.901   32.326 14.74033 56.02682 
1 1 1   12   28    0 o   73.504   32.153   1.4213   3.7710   1.4213   3.7710   1.4213   3.7710   73.504   45.472   73.504   45.472 0.000000 0.000000 
1 1 1   12   28    2 o  163.106   39.350   8.7827   4.4767   6.5215   6.4059   10.941   6.2588  147.845   55.738  178.367   55.561 -30.52225 78.70006 
1 1 1   12   28    4 o  369.800   20.693   41.004   4.3608   39.467   6.1862   42.521   6.1480  362.500   29.924  377.100   28.588 -14.60083 41.38548 
1 1 1   12   28    6 o  352.656   20.993   37.368   4.2059   42.024   6.1011   33.151   5.8060  374.227   28.588  331.086   30.750 43.14044 41.98589 
1 1 1   12   28    8 o  437.423   19.958   57.715   4.9666   55.937   7.2002   59.329   6.8598  430.030   29.360  444.816   27.042 -14.78635 39.91560 
1 1 1   12   28   10 o  262.744   38.407   27.733   4.8591   18.542   9.9092   30.643   5.5754  209.498   70.308  315.991   30.939 -106.4923 76.81402 
1 1 1   12   28   12 o  233.657   38.034   17.626   4.1259   24.921   9.6217   15.982   4.5671  243.452   67.131  223.861   35.774 19.59068 76.06832 
1 1 1   12   28   14 o  141.471   38.257   3.9133   3.0381   16.002   8.7767   2.2676   3.2383  186.251   66.000   96.692   38.708 89.55846 76.51392 
1 1 1   12   28   16 o  152.792   34.061   10.647   3.9035  -0.2006   9.3849   12.916   4.2924  115.561   54.533  190.022   40.826 -74.46120 68.12233 
1 1 1   12   28   18 f  135.659   45.078   7.5128   4.0748   0.0000   0.0000   7.5128   4.0748  ?   ?   135.659   45.078      ?      ? 
1 1 1   12   28   20 o  181.581   46.069   21.288   5.7706   28.745   10.455   18.022   6.9202  186.413   70.982  176.748   58.745 9.665329 92.13835 
1 1 1   12   28   22 o   95.859   33.395   1.8533   6.5797  -3.4912   9.7380   6.3428   8.9253   88.715   44.492  103.002   49.813 -14.28720 66.78996 
1 1 1   12   29    1 o  315.612   29.872   31.608   5.3497   28.705   7.1479   35.305   8.0664  299.635   41.830  331.589   42.657 -31.95328 59.74404 
1 1 1   12   29    3 o  159.495   34.148   8.5461   3.3444   9.9938   5.1661   7.5016   4.3880  169.665   50.000  149.325   46.523 20.34038 68.29613 
1 1 1   12   29    5 o  206.800   24.060   12.477   2.6746   8.8872   3.3476   18.812   4.4474  165.809   36.400  247.790   31.473 -81.98116 48.11976 
1 1 1   12   29    7 o  169.051   33.465   9.9683   3.3531   9.5390   4.6580   10.430   4.8306  165.415   47.108  172.688   47.545 -7.273132 66.93037 
1 1 1   12   29    9 o  133.586   28.704   4.7753   3.0823   11.397   4.3051  -2.1892   4.4150  182.881   42.144   84.291   38.983 98.59006 57.40846 
1 1 1   12   29   11 o  188.947   44.765   15.812   6.0016   11.087   9.1597   19.366   7.9444  162.089   65.025  215.806   61.542 -53.71698 89.53085 
1 1 1   12   29   13 o   88.059   28.253  -0.6892   2.9343   0.7929   4.9239  -1.5054   3.6541   98.807   43.840   77.311   35.652 21.49564 56.50694 
1 1 1   12   29   15 o  113.165   31.553   4.3717   3.0895   2.2949   5.0420   5.6203   3.9095  103.755   45.253  122.575   43.984 -18.81973 63.10594 
1 1 1   12   29   17 o  169.302   37.637   10.589   3.5397   0.0000   0.0000   10.589   3.5397  ?   ?   169.302   37.637      ?      ? 
1 1 1   12   29   19 o  125.312   32.530   8.4430   3.5500   0.0159   9.7836   9.7208   3.8097  100.185   49.242  150.439   42.519 -50.25349 65.05925 
1 1 1   12   29   21 o  105.107   31.286   4.8166   2.4070   9.7416   9.5980   4.4861   2.4865  106.989   51.720  103.225   35.216 3.764717 62.57136 
1 1 1   12   30    2 o  120.183   36.712   2.0778   4.1670   4.4862   7.9087   1.1523   4.9027  136.020   57.964  104.347   45.069 31.67235 73.42359 
1 1 1   12   30    4 o  205.925   30.497   14.763   3.4490   12.119   5.4498   16.529   4.4545  182.670   50.584  229.179   34.083 -46.50871 60.99445 
1 1 1   12   30    6 o  166.173   30.955   9.2995   3.0589   13.463   4.6702   6.1715   4.0481  198.214   42.584  134.133   44.938 64.08092 61.90976 
1 1 1   12   30    8 o  175.997   33.110   11.275   3.3640   11.062   5.1714   11.431   4.4292  171.926   49.844  180.068   43.598 -8.141830 66.22050 
1 1 1   12   30   10 f  132.489   37.265   6.1239   3.8886   5.2288   8.4024   6.3679   4.3866  132.529   58.093  132.448   46.689 0.8100891E-01 74.52976 
1 1 1   12   30   12 o  164.239   39.295   9.8913   3.6332   16.482   8.6059   8.4620   4.0078  178.808   65.104  149.670   44.020 29.13806 78.58941 
1 1 1   12   30   14 o  176.225   37.106   13.937   3.7023   14.464   9.1516   13.834   4.0484  155.776   64.062  196.674   37.463 -40.89812 74.21154 
1 1 1   12   30   16 o  174.454   43.841   12.496   4.3565   0.0000   0.0000   12.496   4.3565  ?   ?   174.454   43.841      ?      ? 
1 1 1   12   30   18 o   57.451   27.661  -2.4740   2.6792   0.0000   0.0000  -2.4740   2.6792  ?   ?    57.451   27.661      ?      ? 
1 1 1   12   30   20 o   83.589   27.812   1.6983   2.9835  -3.5960   9.1246   2.3321   3.1570   84.438   42.446   82.739   35.950 1.698837 55.62444 
1 1 1   12   31    1 o  141.118   37.127   7.2597   4.0942   5.0021   6.4814   8.7586   5.2812  129.564   53.658  152.671   51.327 -23.10701 74.25396 
1 1 1   12   31    3 o  150.384   34.193   7.8398   4.3215  -2.5421   6.8369   14.747   5.5768  101.263   47.393  199.505   49.301 -98.24195 68.38595 
1 1 1   12   31    5 o  206.430   30.580   15.067   3.4325   14.879   5.3856   15.195   4.4544  200.892   47.717  211.969   38.257 -11.07722 61.15974 
1 1 1   12   31    7 o  223.100   22.666   15.092   2.6557   18.525   4.9749   13.725   3.1407  235.583   37.030  210.616   26.148 24.96663 45.33120 
1 1 1   12   31    9 o   94.878   31.499  -1.3545   3.0871   3.3784   7.6018  -2.2892   3.3782  119.594   53.670   70.163   32.989 49.43054 62.99789 
1 1 1   12   31   11 o  117.813   34.696   5.0127   3.7694   1.5839   8.2276   5.9236   4.2406  112.126   52.317  123.500   45.586 -11.37362 69.39109 
1 1 1   12   31   13 o  100.504   31.442   2.6803   3.2227  -1.4393   8.1769   3.4378   3.5065  100.221   48.271  100.786   40.303 -0.5648041 62.88461 
1 1 1   12   31   15 f   88.133   38.661   1.8396   3.7274   0.0000   0.0000   1.8396   3.7274  ?   ?    88.133   38.661      ?      ? 
1 1 1   12   31   17 o  120.831   33.772   7.8822   3.2269   9.8909   9.1441   7.5964   3.4488  112.717   53.383  128.945   41.383 -16.22814 67.54475 
1 1 1   12   31   19 o   85.647   36.849   2.9703   3.2519   0.0000   0.0000   2.9703   3.2519  ?   ?    85.647   36.849      ?      ? 
1 1 1   12   32    0 o  106.748   39.017   5.8123   4.3208   5.8123   4.3208   5.8123   4.3208  106.748   55.179  106.748   55.179 0.000000 0.000000 
1 1 1   12   32    2 o   94.449   30.042   0.5105   3.0771   0.1729   5.9960   0.6312   3.5852  101.973   46.516   86.925   38.029 15.04805 60.08300 
1 1 1   12   32    4 o  130.633   32.720   4.5833   4.1832  -7.5466   6.6069   12.700   5.4045   84.201   41.195  177.064   50.846 -92.86274 65.43944 
1 1 1   12   32    6 o  101.328   27.946   2.2387   2.7344  -2.5731   4.1528   5.9218   3.6332   76.693   36.217  125.962   42.571 -49.26858 55.89254 
1 1 1   12   32    8 o  108.423   30.491   3.9796   2.7976   4.1731   4.3323   3.8412   3.6640  110.364   44.563  106.483   41.628 3.880905 60.98117 
1 1 1   12   32   10 o  121.795   33.631   6.4706   3.5268   1.5451   8.1222   7.6150   3.9151  107.578   50.756  136.012   44.137 -28.43348 67.26247 
1 1 1   12   32   12 o  180.809   29.339   12.574   2.9414   16.901   4.6889   9.7653   3.7770  207.194   41.134  154.424   41.846 52.77029 58.67763 
1 1 1   12   32   14 o  128.905   46.707   8.3483   4.4216   0.0000   0.0000   8.3483   4.4216  ?   ?   128.905   46.707      ?      ? 
1 1 1   12   32   16 o  134.544   30.660   11.519   3.5316   2.9182   9.1316   13.031   3.8296   95.100   46.903  173.989   39.499 -78.88888 61.31921 
1 1 1   12   33    1 o  206.090   30.087   16.163   3.4828   20.285   4.9119   11.995   4.9390  242.330   35.543  169.850   48.555 72.48010 60.17396 
1 1 1   12   33    3 o  240.070   25.815   20.117   3.5251   22.109   5.1653   18.381   4.8229  251.795   35.971  228.345   37.036 23.45018 51.62899 
1 1 1   12   33    5 o  133.991   34.465   7.2280   4.3848  -2.8279   6.9297   13.943   5.6626   92.819   44.638  175.164   52.523 -82.34518 68.92924 
1 1 1   12   33    7 o  200.276   31.252   16.061   3.4910   19.251   5.0810   13.209   4.8047  224.015   41.294  176.537   46.920 47.47752 62.50342 
1 1 1   12   33    9 o  106.626   32.945   4.3055   3.5907   2.9123   7.7494   4.6864   4.0519  105.513   49.719  107.739   43.239 -2.225761 65.89076 
1 1 1   12   33   11 o  110.018   33.712   5.5413   3.5667   6.6927   7.9934   5.2551   3.9855  111.362   51.828  108.674   43.125 2.688362 67.42364 
1 1 1   12   33   13 o   59.638   28.581  -2.0043   2.7855   0.0000   0.0000  -2.0043   2.7855  ?   ?    59.638   28.581      ?      ? 
1 1 1   12   33   15 o   92.613   28.228   3.3273   2.6557   7.0831   4.3791   1.1424   3.3399  109.281   44.554   75.945   34.672 33.33630 56.45569 
1 1 1   12   34    0 o   31.367   16.431 -11.1847   3.4263 -11.1847   3.4263 -11.1847   3.4263   31.367   23.236   31.367   23.236 -0.000000 0.000000 
1 1 1   12   34    2 o  274.949   26.141   28.019   4.0330   24.609   5.8649   31.078   5.5548  252.195   40.778  297.702   32.718 -45.50677 52.28149 
1 1 1   12   34    4 o  140.154   32.594   9.0081   3.0736   7.6933   4.5443   10.117   4.1730  128.048   47.204  152.259   44.957 -24.21117 65.18701 
1 1 1   12   34    6 o  142.972   39.443   12.802   4.7888   11.093   7.4741   13.993   6.2373  130.396   55.977  155.548   55.584 -25.15102 78.88592 
1 1 1   12   34    8 o  130.805   38.895   11.755   4.9690   11.590   8.0754   11.855   6.3038  125.087   55.783  136.523   54.217 -11.43579 77.78993 
1 1 1   12   34   10 o  104.116   31.874   4.1032   2.5011   10.292   7.8207   3.3981   2.6398  115.666   52.903   92.565   35.567 23.10108 63.74699 
1 1 1   12   34   12 o  118.033   41.335   6.9724   3.4346   0.0000   0.0000   6.9724   3.4346  ?   ?   118.033   41.335      ?      ? 
1 1 1   12   35    1 o  247.190   27.444   24.465   3.8669   25.064   5.4651   23.865   5.4723  251.509   38.102  242.872   39.509 8.636963 54.88859 
1 1 1   12   35    3 o  217.042   30.419   20.330   3.6834   23.479   5.2527   17.283   5.1665  242.865   37.925  191.219   47.571 51.64554 60.83870 
1 1 1   12   35    5 o  118.787   31.669   6.9984   3.0033   9.8642   4.4834   4.6658   4.0449  136.494   47.259  101.080   42.169 35.41343 63.33708 
1 1 1   12   35    7 o   77.038   26.744  -2.6385   3.9602  -2.9152   6.3748  -2.4646   5.0536   79.490   39.202   74.585   36.391 4.904770 53.48865 
1 1 1   12   35    9 o  109.956   35.141   6.4456   4.6835   19.127   7.7739  -0.7800   5.8680  139.928   58.424   79.985   39.067 59.94273 70.28226 
1 1 1   12   36    0 o   78.103   34.343   3.8738   4.3592   3.8738   4.3592   3.8738   4.3592   78.103   48.568   78.103   48.568 -0.000000 0.000000 
1 1 1   12   36    2 o  117.299   29.992   6.8015   3.1816   0.6235   4.5230   12.853   4.4764   79.435   37.599  155.162   46.738 -75.72733 59.98421 
1 1 1   12   36    4 o   74.213   25.029  -0.4295   2.9925  -2.3919   4.5449   1.0724   3.9761   70.133   34.281   78.294   36.477 -8.161125 50.05751 
1 1 1   12   36    6 o   74.827   24.932   0.5396   2.7571   0.0130   4.1602   0.9521   3.6817   74.116   35.358   75.537   35.162 -1.420982 49.86498 
1 1 1   13    0    1 o  196.574   37.703   13.286   5.1667   13.286   5.1667   13.286   5.1667  196.574   53.320  196.574   53.320 0.000000 0.000000 
1 1 1   13    0    3 o  279.276   8.7099   22.384   1.9531   22.384   1.9531   22.384   1.9531  279.276   12.318  279.276   12.318 0.000000 0.000000 
1 1 1   13    0    5 o  1731.01   24.103  859.490   33.620  859.490   33.620  859.490   33.620  1731.01   34.087  1731.01   34.087 -0.000000 0.000000 
1 1 1   13    0    7 o  1432.19   23.439  588.266   27.041  588.266   27.041  588.266   27.041  1432.19   33.148  1432.19   33.148 -0.000000 0.000000 
1 1 1   13    0    9 o  182.044   33.082   11.185   4.1982   11.185   4.1982   11.185   4.1982  182.044   46.785  182.044   46.785 0.000000 0.000000 
1 1 1   13    0   11 o  180.439   20.224   9.9775   2.7217   9.9775   2.7217   9.9775   2.7217  180.439   28.601  180.439   28.601 0.000000 0.000000 
1 1 1   13    0   13 o   81.427   33.449   2.3095   3.6060   2.3095   3.6060   2.3095   3.6060   81.427   47.304   81.427   47.304 -0.000000 0.000000 
1 1 1   13    0   17 f  580.296   11.832   96.379   5.5269   96.379   5.5269   96.379   5.5269  580.296   16.732  580.296   16.732 -0.000000 0.000000 
1 1 1   13    0   19 o  125.661   46.123   6.7484   6.0572   6.7484   6.0572   6.7484   6.0572  125.661   65.228  125.661   65.228 -0.000000 0.000000 
1 1 1   13    0   21 o  1277.97   20.159  469.398   20.754  469.398   20.754  469.398   20.754  1277.97   28.509  1277.97   28.509 0.000000 0.000000 
1 1 1   13    0   23 o  518.117   12.743   77.097   5.3104   77.097   5.3104   77.097   5.3104  518.117   18.022  518.117   18.022 -0.000000 0.000000 
1 1 1   13    0   25 f  228.885   24.536   16.209   4.2211   16.209   4.2211   16.209   4.2211  228.885   34.700  228.885   34.700 -0.000000 0.000000 
1 1 1   13    0   27 o  349.356   14.953   35.606   4.1779   35.606   4.1779   35.606   4.1779  349.356   21.147  349.356   21.147 -0.000000 0.000000 
1 1 1   13    0   29 o   37.870   19.232  -4.4877   2.8206  -4.4877   2.8206  -4.4877   2.8206   37.870   27.199   37.870   27.199 0.000000 0.000000 
1 1 1   13    0   31 o   54.521   26.789  -2.7966   4.1525  -2.7966   4.1525  -2.7966   4.1525   54.521   37.885   54.521   37.885 0.000000 0.000000 
1 1 1   13    0   33 f   91.514   34.448   4.4486   3.4444   4.4486   3.4444   4.4486   3.4444   91.514   48.717   91.514   48.717 -0.000000 0.000000 
1 1 1   13    0   35 o   51.104   24.533  -0.4155   3.0454  -0.4155   3.0454  -0.4155   3.0454   51.104   34.695   51.104   34.695 -0.000000 0.000000 
1 1 1   13    1    0 o  310.687   27.012   28.913   6.4942   28.913   6.4942   28.913   6.4942  310.687   38.201  310.687   38.201 0.000000 0.000000 
1 1 1   13    1    2 o  1686.08   23.742  814.620   22.829  814.620   22.829   0.0000   0.0000  1686.08   23.742  ?   ?       ?      ? 
1 1 1   13    1    4 o  1219.72   19.831  428.373   12.987  431.113   15.916  422.913   22.467  1226.94   22.746  1212.49   32.491 14.44702 39.66196 
1 1 1   13    1    6 o  760.173   14.926  165.014   6.3980  167.577   9.8449  163.141   8.4179  765.082   22.564  755.264   19.544 9.818176 29.85114 
1 1 1   13    1    8 o  280.931   12.424   22.552   1.9902   22.738   2.8433   22.373   2.7868  282.066   17.676  279.796   17.465 2.269592 24.84887 
1 1 1   13    1   10 o  1106.82   16.419  350.639   10.362  345.769   14.729  355.411   14.579  1099.16   23.498  1114.48   22.938 -15.31641 32.83749 
1 1 1   13    1   12 o  724.682   15.462  149.843   6.2553  148.481   8.0447  151.927   9.9481  720.741   19.572  728.622   23.941 -7.881287 30.92314 
1 1 1   13    1   16 o  1234.86   21.182  438.361   14.287  436.262   23.891  439.530   17.826  1231.29   34.024  1238.42   25.240 -7.135132 42.36376 
1 1 1   13    1   18 o  812.491   14.975  189.568   6.8816  192.879   9.2074  185.377   10.358  820.807   19.670  804.174   22.586 16.63263 29.95022 
1 1 1   13    1   20 o  746.151   13.523  158.939   5.7386  167.719   8.5079  151.611   7.7729  764.906   19.504  727.397   18.738 37.50946 27.04638 
1 1 1   13    1   22 o  129.676   30.980   3.7806   2.6313   7.4817   4.7299   2.1218   3.1665  157.701   48.165  101.651   38.978 56.05070 61.96099 
1 1 1   13    1   24 o  231.104   30.063   17.138   3.7246   12.012   5.6864   20.991   4.9292  194.770   50.701  267.439   32.319 -72.66832 60.12576 
1 1 1   13    1   26 o  153.398   28.566   7.4695   2.5390   6.8641   3.6542   8.0347   3.5305  147.272   41.649  159.525   39.109 -12.25325 57.13210 
1 1 1   13    1   28 o  149.112   25.480   7.2542   2.1785   5.3690   3.1641   8.9532   3.0038  129.254   39.376  168.970   32.351 -39.71590 50.96096 
1 1 1   13    1   30 o  116.811   29.241   3.1632   2.8749  -1.5271   4.0096   8.1252   4.1241   82.260   37.717  151.363   44.693 -69.10293 58.48148 
1 1 1   13    1   32 o   86.236   26.204   1.1485   2.3182   0.7057   3.1731   1.6553   3.3948   82.314   35.900   90.157   38.181 -7.843063 52.40809 
1 1 1   13    1   34 o   89.044   25.502   0.9984   2.3834   5.9711   3.4634  -3.4750   3.2849  116.986   41.460   61.101   29.706 55.88571 51.00325 
1 1 1   13    1   36 o  100.350   29.996   5.9373   2.9391   6.4825   4.4301   5.5086   3.9281  102.029   43.428   98.671   41.389 3.358162 59.99203 
1 1 1   13    2    1 o  752.745   18.215  162.875   6.7586  163.245   7.8039  161.765   13.518  755.557   18.111  749.932   31.609 5.624146 36.43007 
1 1 1   13    2    3 o  713.807   19.427  146.182   7.4673  146.119   9.1617  146.306   12.888  714.324   22.490  713.289   31.683 1.035034 38.85392 
1 1 1   13    2    5 o  1209.98   19.729  419.392   12.854  417.983   15.759  422.191   22.219  1208.19   22.872  1211.78   32.152 -3.588013 39.45778 
1 1 1   13    2    7 o  229.124   14.873   15.031   1.9368   15.160   2.6396   14.880   2.8508  230.227   20.104  228.020   21.923 2.207153 29.74548 
1 1 1   13    2    9 o  811.942   15.248  189.474   6.9623  194.290   9.1821  182.959   10.679  824.372   19.531  799.511   23.421 24.86078 30.49611 
1 1 1   13    2   11 o  701.417   13.465  140.591   5.3857  137.729   7.5729  143.519   7.6610  694.189   19.129  708.644   18.957 -14.45526 26.93093 
1 1 1   13    2   13 o  414.410   28.143   49.447   6.6498   48.135   9.3096   50.815   9.5019  408.783   39.934  420.036   39.667 -11.25284 56.28690 
1 1 1   13    2   17 o  827.746   12.932  195.450   6.0450  192.375   7.9806  199.590   9.2590  820.290   17.060  835.203   19.439 -14.91260 25.86357 
1 1 1   13    2   19 o  215.749   22.330   12.599   2.6464   10.470   3.2509   16.780   4.5564  190.562   29.913  240.937   33.161 -50.37428 44.65949 
1 1 1   13    2   21 f  916.076   15.201  240.852   7.8400  242.554   12.109  239.623   10.287  918.326   23.121  913.827   19.740 4.499695 30.40134 
1 1 1   13    2   23 o  461.972   13.845   61.456   3.6223   71.048   5.1987   52.406   5.0499  497.294   18.331  426.650   20.755 70.64410 27.69098 
1 1 1   13    2   25 o   93.080   30.290  -1.8978   3.1693  -5.1609   6.8556  -1.0109   3.5741  102.430   47.780   83.731   37.241 18.69904 60.57932 
1 1 1   13    2   27 f  412.770   14.379   48.815   3.2910   46.071   4.1430   53.506   5.4175  398.253   18.242  427.286   22.232 -29.03326 28.75814 
1 1 1   13    2   29 f   77.145   24.405  -0.7328   2.1919  -1.0532   2.9452  -0.3349   3.2816   73.037   33.034   81.252   35.933 -8.215263 48.81004 
1 1 1   13    2   31 o   57.887   20.072  -5.6940   2.2867  -3.5125   3.1504  -8.1231   3.3244   63.157   30.301   52.617   26.331 10.54037 40.14347 
1 1 1   13    2   33 o  135.109   29.496   7.3435   2.5005   6.7214   3.4274   8.0514   3.6561  129.351   41.226  140.866   42.196 -11.51491 58.99267 
1 1 1   13    2   35 o   80.334   25.239   1.0476   2.4329  -1.5795   3.3854   3.8534   3.4986   66.292   31.700   94.376   39.282 -28.08394 50.47725 
1 1 1   13    3    0 f  233.877   31.016   17.250   5.2482   17.250   5.2482   17.250   5.2482  233.877   43.864  233.877   43.864 0.000000 0.000000 
1 1 1   13    3    2 o  540.415   22.909   83.645   7.0605   83.645   7.0605   0.0000   0.0000  540.415   22.909  ?   ?       ?      ? 
1 1 1   13    3    4 o  420.487   19.117   53.082   3.3981   54.327   3.7419   47.222   8.1162  436.085   15.046  404.889   35.150 31.19626 38.23470 
1 1 1   13    3    6 o  775.530   18.375  171.719   7.0108  171.067   8.0748  173.716   14.130  773.558   18.304  777.502   31.868 -3.943848 36.75050 
1 1 1   13    3    8 o  1303.19   15.623  485.596   11.150  484.683   13.939  487.216   18.580  1302.12   18.771  1304.25   24.980 -2.134399 31.24641 
1 1 1   13    3   10 o  673.526   15.322  129.532   5.7354  128.796   7.3218  130.702   9.2268  671.279   19.126  675.773   23.942 -4.494080 30.64316 
1 1 1   13    3   12 o  1144.66   17.060  375.013   11.133  385.531   15.766  364.551   15.724  1160.72   23.818  1128.59   24.430 32.12878 34.11901 
1 1 1   13    3   16 o  255.373   18.099   18.589   2.4972   18.366   3.0656   19.027   4.3050  253.328   21.220  257.418   29.325 -4.090302 36.19762 
1 1 1   13    3   18 o  897.203   12.856  230.290   6.5765  227.718   9.1806  233.001   9.4255  892.082   18.046  902.324   18.317 -10.24200 25.71278 
1 1 1   13    3   20 o  777.635   13.037  171.640   5.6798  164.993   7.3118  181.753   9.0191  759.131   16.889  796.138   19.865 -37.00629 26.07408 
1 1 1   13    3   22 o  294.522   17.712   24.878   2.9579   26.559   4.4792   23.578   3.9388  303.157   25.908  285.887   24.159 17.27032 35.42465 
1 1 1   13    3   24 o  373.122   16.419   39.934   3.4765   45.473   5.2064   35.476   4.6703  396.295   23.037  349.949   23.402 46.34589 32.83803 
1 1 1   13    3   26 o  109.320   31.375   0.6202   3.2977   5.0806   4.9060  -3.0559   4.4539  134.319   49.117   84.321   39.052 49.99743 62.75007 
1 1 1   13    3   28 o  105.832   31.587   1.5183   3.2587   1.5732   4.4173   1.4527   4.8268  104.550   43.874  107.113   45.453 -2.562782 63.17408 
1 1 1   13    3   30 o   69.612   23.157  -2.6512   2.3560  -2.7181   3.4330  -2.5916   3.2393   70.558   33.200   68.666   32.291 1.891823 46.31413 
1 1 1   13    3   32 o   88.905   26.886   1.3493   2.4438   2.4686   3.5211   0.3091   3.3944   96.117   39.657   81.692   36.316 14.42538 53.77242 
1 1 1   13    3   34 o   79.135   25.588   0.4126   2.4992   1.1924   4.0961  -0.0498   3.1544   85.116   38.679   73.155   33.510 11.96088 51.17635 
1 1 1   13    4    1 o  748.981   18.826  158.247   7.6069  169.060   13.283  152.971   9.2792  767.038   30.366  730.924   22.261 36.11383 37.65171 
1 1 1   13    4    3 f  636.157   19.756  117.907   6.7367  121.574   8.2978  110.817   11.538  651.623   22.329  620.691   32.597 30.93195 39.51160 
1 1 1   13    4    5 o  431.996   17.921   51.259   2.6634   50.715   2.8027   56.326   8.5523  421.509   11.660  442.483   33.892 -20.97409 35.84132 
1 1 1   13    4    7 o  272.039   27.853   24.053   3.2998   25.927   3.7614   17.791   6.8754  301.009   21.912  243.068   51.215 57.94106 55.70562 
1 1 1   13    4    9 o  336.921   12.862   31.781   2.3197   34.336   4.1262   30.600   2.8049  346.502   20.881  327.339   15.025 19.16287 25.72478 
1 1 1   13    4   11 o  833.674   15.694  198.306   7.4223  194.243   9.9521  203.399   11.142  824.191   21.173  843.157   23.171 -18.96613 31.38834 
1 1 1   13    4   13 o  159.684   33.190   3.5884   2.9838   0.8373   3.3151   15.329   6.8482   94.056   38.604  225.311   54.001 -131.2554 66.38007 
1 1 1   13    4   15 o  442.350   22.122   53.520   4.3277   52.036   4.7626   60.552   10.366  426.576   19.577  458.124   39.677 -31.54825 44.24421 
1 1 1   13    4   17 o  603.029   12.449  102.958   4.0489  100.866   4.9514  107.180   7.0343  594.152   14.613  611.905   20.158 -17.75244 24.89716 
1 1 1   13    4   19 o  191.606   22.470   10.637   2.3929   9.4359   3.2003   12.161   3.6036  177.965   32.739  205.247   30.787 -27.28148 44.94089 
1 1 1   13    4   21 o  388.703   14.349   41.648   3.0999   36.076   3.8871   51.382   5.1378  354.565   19.224  422.842   21.306 -68.27728 28.69703 
1 1 1   13    4   23 o  294.162   18.797   25.076   3.1039   25.130   4.8347   25.038   4.0485  294.005   28.835  294.319   24.120 -0.3137512 37.59317 
1 1 1   13    4   25 o  214.099   23.699   13.743   2.7761   10.615   3.7830   17.393   4.0867  185.233   37.105  242.964   29.494 -57.73091 47.39894 
1 1 1   13    4   27 o  219.441   25.907   17.160   2.7573   9.7070   4.6889   21.100   3.4090  170.746   46.773  268.135   22.294 -97.38962 51.81447 
1 1 1   13    4   29 o   94.727   30.911  -2.2897   3.9086  -1.1652   5.5126  -3.4266   5.5428   98.648   44.846   90.806   42.554 7.842201 61.82212 
1 1 1   13    4   31 f  152.051   29.715   8.4500   2.6816   7.3926   3.8080   9.4901   3.7768  141.483   43.218  162.619   40.794 -21.13538 59.43062 
1 1 1   13    4   33 o   99.519   28.413   2.9449   2.5876   5.7168   3.8733   0.7106   3.4774  117.122   43.500   81.917   36.563 35.20576 56.82529 
1 1 1   13    4   35 o   84.724   26.431   2.2672   2.3000   3.4603   4.3267   1.7973   2.7154   91.374   40.784   78.075   33.632 13.29834 52.86238 
1 1 1   13    5    0 o  244.673   19.268   17.745   3.6815   17.745   3.6815   17.745   3.6815  244.673   27.249  244.673   27.249 0.000000 0.000000 
1 1 1   13    5    4 o  550.000   13.317   87.595   3.7729   89.118   4.4841   83.905   6.9811  558.620   14.076  541.380   22.611 17.23999 26.63455 
1 1 1   13    5    6 o  2027.09   21.809  1190.23   23.641  1210.27   28.941  1150.03   40.985  2055.53   24.689  1998.65   35.958 56.87622 43.61783 
1 1 1   13    5    8 o  1761.28   19.631  886.852   19.719  886.852   19.719   0.0000   0.0000  1761.28   19.631  ?   ?       ?      ? 
1 1 1   13    5   10 o  1124.61   14.741  361.073   9.2358  359.037   11.840  364.237   14.760  1120.90   18.522  1128.33   22.938 -7.435181 29.48296 
1 1 1   13    5   12 f  641.173   24.449  118.021   8.9323  111.334   12.455  125.102   12.817  622.418   35.088  659.929   34.057 -37.51141 48.89851 
1 1 1   13    5   16 o  353.420   18.978   35.669   3.1723   35.534   3.5915   36.146   6.7666  352.526   17.864  354.314   33.488 -1.788269 37.95499 
1 1 1   13    5   18 o  951.947   13.171  259.344   7.1435  257.328   9.8705  261.562   10.351  948.138   18.255  955.756   18.992 -7.617920 26.34216 
1 1 1   13    5   20 o  493.609   16.146   69.975   4.5406   69.132   6.2661   70.908   6.5887  490.552   22.399  496.666   23.262 -6.114380 32.29258 
1 1 1   13    5   22 o  184.831   25.620   9.9453   2.6320   7.3504   3.4779   13.423   4.0264  155.119   39.276  214.542   32.909 -59.42305 51.24054 
1 1 1   13    5   24 o  291.098   19.202   25.272   3.1134   29.151   4.2202   20.640   4.6117  317.020   23.343  265.175   30.496 51.84537 38.40410 
1 1 1   13    5   26 o  123.603   31.293   3.8698   2.8869   1.7475   3.8521   6.5891   4.3604  102.782   41.833  144.423   46.550 -41.64087 62.58538 
1 1 1   13    5   28 o   91.136   25.288   1.2761   2.1020  -1.2955   3.0931   3.4828   2.8653   74.083   33.645  108.188   37.762 -34.10571 50.57602 
1 1 1   13    5   30 o  152.400   38.243   6.3833   5.4867   17.804   7.4873  -6.8617   8.0633  206.638   59.995   98.161   47.441 108.4768 76.48557 
1 1 1   13    5   32 o   89.522   24.864   1.1647   2.0170   4.9090   3.1921  -1.3239   2.6024  115.045   39.874   64.000   29.715 51.04484 49.72830 
1 1 1   13    5   34 o   87.646   25.715   2.5906   2.1087   2.5060   3.1110   2.6625   2.8682   87.416   36.759   87.876   35.969 -0.4603271 51.42934 
1 1 1   13    6    1 o  1304.47   19.640  487.518   13.762  490.024   23.895  486.275   16.835  1305.66   32.092  1303.28   22.650 2.383545 39.27978 
1 1 1   13    6    5 o  946.031   14.344  256.611   7.5876  259.262   9.8369  252.716   11.922  952.373   18.112  939.689   22.248 12.68341 28.68778 
1 1 1   13    6    7 o  634.503   12.553  114.699   4.4189  113.567   5.6180  116.535   7.1559  630.565   15.623  638.440   19.654 -7.875366 25.10696 
1 1 1   13    6    9 o  1057.68   19.053  322.756   9.8852  324.988   11.400  315.991   19.847  1066.38   18.745  1048.99   33.176 17.38831 38.10573 
1 1 1   13    6   11 o  579.393   18.685   90.975   4.5772   88.589   4.9781  104.026   11.643  556.958   15.673  601.828   33.924 -44.87079 37.36954 
1 1 1   13    6   13 o  546.794   20.407   80.100   5.8807   72.049   6.9384  100.636   11.081  501.667   24.252  591.920   32.826 -90.25302 40.81310 
1 1 1   13    6   15 o  617.760   21.543  106.606   6.7894  103.046   7.9234  116.441   13.170  599.858   23.162  635.661   36.331 -35.80280 43.08573 
1 1 1   13    6   17 o  651.997   14.570  121.726   5.4167  120.293   7.5861  123.216   7.7369  648.095   20.525  655.899   20.684 -7.804321 29.13957 
1 1 1   13    6   19 o  421.233   14.230   50.585   3.4085   46.422   4.6241   55.540   5.0440  402.357   20.152  440.109   20.097 -37.75238 28.46020 
1 1 1   13    6   21 o  378.074   18.008   40.952   3.8677   36.885   5.2227   45.893   5.7557  357.412   25.623  398.736   25.312 -41.32376 36.01682 
1 1 1   13    6   23 o  535.131   16.364   82.804   4.9889   82.839   6.9023   82.766   7.2191  535.420   22.605  534.843   23.668 0.5775146 32.72862 
1 1 1   13    6   25 o  144.719   32.634   6.3703   2.8856   6.2312   3.4662   6.6843   5.2081  141.089   40.779  148.350   50.959 -7.260330 65.26711 
1 1 1   13    6   27 o  122.292   28.900   4.6207   2.3910   3.7866   3.4938   5.3555   3.2793  114.979   41.540  129.604   40.192 -14.62495 57.80087 
1 1 1   13    6   29 o   85.861   25.083   0.4227   2.2095  -2.6867   3.2930   2.9692   2.9800   69.374   32.603  102.348   38.128 -32.97430 50.16623 
1 1 1   13    6   31 o  151.849   36.398   9.2665   3.6881   11.588   5.9150   7.7897   4.7175  163.666   54.307  140.032   48.477 23.63426 72.79639 
1 1 1   13    6   33 o   87.549   25.863   1.7941   2.2866   3.8688   3.1799  -0.4274   3.2904  101.228   38.999   73.869   33.980 27.35913 51.72586 
1 1 1   13    6   35 o   73.744   24.103   0.5392   2.4142  -0.9533   3.8612   1.4970   3.0933   70.561   33.772   76.928   34.399 -6.366089 48.20635 
1 1 1   13    7    0 o  413.582   16.255   49.321   5.3837   49.321   5.3837   49.321   5.3837  413.582   22.988  413.582   22.988 0.000000 0.000000 
1 1 1   13    7    2 o  629.402   22.176  113.799   7.9597  114.303   11.289  113.300   11.225  630.786   31.382  628.018   31.341 2.768433 44.35174 
1 1 1   13    7    4 o  707.425   21.730  143.690   8.7655  140.875   12.374  146.526   12.419  700.430   30.977  714.419   30.482 -13.98969 43.45932 
1 1 1   13    7    6 o  1918.64   15.744  1053.97   16.891  1056.98   21.857  1049.50   26.613  1922.69   19.934  1914.59   24.374 8.098633 31.48709 
1 1 1   13    7    8 o  773.815   18.087  170.196   6.8571  168.997   7.8754  173.951   13.943  769.053   17.957  778.576   31.402 -9.523315 36.17324 
1 1 1   13    7   10 o  1048.97   18.601  316.872   9.5355  318.553   10.972  311.685   19.275  1055.86   18.222  1042.07   32.435 13.78931 37.20261 
1 1 1   13    7   12 o  767.667   19.034  167.460   7.1400  166.172   8.1889  171.544   14.582  762.497   18.832  772.837   33.085 -10.33990 38.06893 
1 1 1   13    7   14 o  636.753   21.184  120.360   6.1188  123.105   6.8723  109.858   13.441  656.221   18.364  617.285   38.181 38.93622 42.36715 
1 1 1   13    7   16 o  778.306   16.495  170.216   7.2235  194.421   11.408  154.019   9.3325  823.411   24.295  733.201   22.319 90.20953 32.99094 
1 1 1   13    7   18 o  838.844   16.513  201.346   7.6792  205.098   12.463  199.050   9.7500  844.451   25.879  833.237   20.518 11.21338 33.02583 
1 1 1   13    7   20 o  656.955   12.752  124.180   4.7338  120.165   7.1304  127.345   6.3301  647.163   19.320  666.746   16.648 -19.58337 25.50307 
1 1 1   13    7   22 o  189.995   24.178   10.031   2.4908   7.9388   3.0881   13.926   4.2138  161.792   34.521  218.199   33.863 -56.40749 48.35674 
1 1 1   13    7   24 f  169.736   30.400   8.5699   2.8084   7.4960   3.4135   10.819   4.9405  155.145   38.707  184.326   46.888 -29.18100 60.80078 
1 1 1   13    7   26 o  131.743   33.410   5.1058   3.0861   5.2971   3.7615   4.7119   5.3980  130.802   43.303  132.684   50.889 -1.882660 66.81904 
1 1 1   13    7   28 o  259.952   20.472   20.622   3.0142   19.938   4.4787   21.189   4.0753  254.915   30.808  264.989   26.967 -10.07402 40.94376 
1 1 1   13    7   30 o  116.191   28.769   4.3143   2.3905   6.1941   3.6104   2.8469   3.1899  131.926   42.341  100.456   38.960 31.47045 57.53846 
1 1 1   13    7   32 o  121.240   36.746   6.2738   4.7267   2.8451   7.8587   8.2171   5.9165  110.627   51.454  131.852   52.474 -21.22496 73.49180 
1 1 1   13    7   34 o   54.496   18.433  -3.8095   1.6923   0.6958   2.4948  -7.6493   2.3032   70.577   31.266   38.415   19.534 32.16204 36.86586 
1 1 1   13    8    1 o  732.500   19.211  154.607   7.5748  151.413   13.012  156.245   9.3160  726.083   31.424  738.918   22.108 -12.83508 38.42186 
1 1 1   13    8    3 o  988.606   22.253  280.657   12.546  280.156   17.798  281.152   17.687  987.700   31.598  989.511   31.343 -1.810608 44.50615 
1 1 1   13    8    5 o  1549.97   23.072  689.987   20.391  674.471   28.785  705.615   28.889  1532.37   32.938  1567.57   32.316 -35.19250 46.14408 
1 1 1   13    8    7 o  980.925   14.284  273.322   7.8490  266.010   10.125  284.332   12.425  964.812   18.402  997.038   21.852 -32.22668 28.56835 
1 1 1   13    8    9 o  756.226   18.153  163.917   6.2080  164.029   6.9236  163.457   14.021  757.841   16.020  754.610   32.581 3.230408 36.30619 
1 1 1   13    8   11 o  766.833   19.798  167.960   8.0365  166.998   9.6920  170.075   14.377  764.054   22.243  769.612   32.757 -5.558533 39.59523 
1 1 1   13    8   13 o  137.939   33.486   5.6876   2.6077   5.6876   2.6077   0.0000   0.0000  137.939   33.486  ?   ?       ?      ? 
1 1 1   13    8   15 o  319.186   18.738   29.487   3.3704   34.468   4.7476   24.426   4.7855  346.778   24.006  291.594   28.778 55.18381 37.47621 
1 1 1   13    8   17 o  459.919   13.719   60.142   3.5563   63.391   5.5245   57.843   4.6473  470.317   20.597  449.521   18.128 20.79559 27.43875 
1 1 1   13    8   19 o  347.676   25.727   36.559   4.7695   30.728   7.9569   39.830   5.9587  323.804   43.089  371.547   28.122 -47.74319 51.45398 
1 1 1   13    8   21 o  734.094   24.676  163.941   8.9493  144.181   17.189  171.289   10.482  697.677   43.203  770.511   23.854 -72.83435 49.35104 
1 1 1   13    8   23 o  470.926   16.624   65.976   4.2479   58.338   6.9565   70.517   5.3641  447.276   27.272  494.576   19.018 -47.29926 33.24878 
1 1 1   13    8   25 o  237.253   26.006   16.892   3.1892   16.235   3.8410   18.349   5.7224  234.077   28.774  240.430   43.329 -6.353195 52.01241 
1 1 1   13    8   27 f  152.742   22.407   7.2028   2.3626  -0.4040   3.3300   14.913   3.3525   82.149   36.270  223.334   26.322 -141.1850 44.81467 
1 1 1   13    8   29 o  130.492   28.621   5.7956   2.3603   5.1236   3.2929   6.5056   3.3849  123.437   40.499  137.548   40.455 -14.11012 57.24277 
1 1 1   13    8   31 o  101.034   27.835   3.2254   2.3056   2.8819   3.5606   3.4734   3.0255   99.601   40.335  102.466   38.369 -2.865662 55.66986 
1 1 1   13    8   33 o  104.627   33.824   2.8231   3.9613   10.366   7.6289   0.0385   4.6352  125.426   55.157   83.827   39.165 41.59888 67.64775 
1 1 1   13    8   35 o   56.053   19.032  -2.2840   1.7160   0.4797   2.6859  -4.1903   2.2307   67.800   31.007   44.307   22.078 23.49316 38.06454 
1 1 1   13    9    0 o  556.491   16.069   88.902   7.1845   88.902   7.1845   88.902   7.1845  556.491   22.724  556.491   22.724 0.000000 0.000000 
1 1 1   13    9    2 f  782.142   22.023  175.586   9.8230  177.837   13.947  173.370   13.838  787.128   31.070  777.156   31.222 9.971680 44.04691 
1 1 1   13    9    4 o  360.762   17.267   37.167   3.5481   35.093   4.8805   39.491   5.1672  350.113   24.444  371.410   24.396 -21.29654 34.53460 
1 1 1   13    9    6 o  240.882   23.377   15.740   3.0189   11.256   3.7836   23.596   5.0083  194.962   35.331  286.802   30.620 -91.83975 46.75344 
1 1 1   13    9    8 o  391.708   15.896   43.716   3.5073   42.811   4.5911   44.983   5.4353  386.952   20.805  396.465   24.039 -9.513824 31.79217 
1 1 1   13    9   10 o  1319.21   19.170  487.405   13.551  467.172   16.389  531.130   24.093  1277.89   22.488  1360.54   31.051 -82.64771 38.33948 
1 1 1   13    9   12 o  1008.89   18.931  285.209   9.8729  276.698   11.628  307.185   18.687  983.568   20.731  1034.22   31.683 -50.65228 37.86288 
1 1 1   13    9   14 o  494.951   40.912   70.858   11.548   70.858   11.548   0.0000   0.0000  494.951   40.912  ?   ?       ?      ? 
1 1 1   13    9   16 o  236.669   36.451   15.033   3.3445   14.488   3.5581   19.174   9.8012  224.453   27.797  248.885   67.395 -24.43159 72.90244 
1 1 1   13    9   18 o  620.841   15.989  105.716   4.8365  120.440   10.164  101.407   5.4990  646.438   27.571  595.245   16.199 51.19342 31.97797 
1 1 1   13    9   20 o  828.153   17.091  196.134   7.8537  204.870   12.786  190.841   9.9524  841.842   26.633  814.464   21.427 27.37750 34.18214 
1 1 1   13    9   22 o  241.378   25.576   18.088   3.2445   11.586   4.6325   24.348   4.5456  193.420   43.100  289.336   27.549 -95.91608 51.15179 
1 1 1   13    9   24 o  105.053   35.238  -2.6235   3.7725  -7.6244   10.864  -1.9379   4.0228  125.765   59.141   84.341   38.329 41.42329 70.47533 
1 1 1   13    9   26 o  195.483   27.920   11.665   2.8063   10.975   3.3229   13.381   5.2404  190.758   30.545  200.208   46.746 -9.449829 55.84042 
1 1 1   13    9   28 o  214.553   23.394   14.254   2.7689   11.786   3.6589   17.562   4.2359  191.071   34.863  238.035   31.204 -46.96405 46.78813 
1 1 1   13    9   30 o   66.792   21.537  -2.2328   1.9839  -5.6102   2.8497   0.9436   2.7637   52.325   25.880   81.259   34.433 -28.93444 43.07447 
1 1 1   13    9   32 o   77.098   23.213   1.1284   1.7880   0.7926   2.7317   1.3801   2.3650   76.443   33.325   77.753   32.324 -1.310455 46.42667 
1 1 1   13    9   34 o   95.917   28.779   3.5107   2.8909   7.4660   4.3011   0.2516   3.9042  115.571   45.124   76.263   35.731 39.30825 57.55733 
1 1 1   13   10    1 o  1367.04   16.145  534.722   12.587  534.039   17.793  535.406   17.809  1366.17   22.837  1367.92   22.829 -1.749390 32.29089 
1 1 1   13   10    3 o  758.526   22.077  165.078   9.5495  167.151   13.589  163.056   13.422  763.229   31.221  753.823   31.222 9.405579 44.15429 
1 1 1   13   10    5 f  1203.73   19.541  420.333   12.648  399.275   21.597  431.327   15.604  1179.48   32.108  1227.98   22.282 -48.49280 39.08177 
1 1 1   13   10    7 o  550.319   19.155   86.758   5.7760   86.770   7.2298   86.736   9.6036  550.722   23.020  549.916   30.623 0.8070068 38.31015 
1 1 1   13   10    9 o  257.177   20.029   18.959   2.9373   18.864   4.1722   19.052   4.1360  256.531   28.519  257.823   28.129 -1.292816 40.05744 
1 1 1   13   10   11 o  272.513   31.407   21.309   3.6379   21.007   4.0091   22.718   8.6561  270.779   25.962  274.248   57.198 -3.468994 62.81422 
1 1 1   13   10   13 o  633.390   37.659  115.748   13.603  115.748   13.603   0.0000   0.0000  633.390   37.659  ?   ?       ?      ? 
1 1 1   13   10   15 o  660.593   21.745  127.670   6.6469  129.158   7.4948  122.186   14.387  671.679   19.566  649.506   38.840 22.17322 43.49001 
1 1 1   13   10   17 o  337.534   26.726   33.808   5.0210   28.972   7.6232   37.513   6.6727  314.927   42.446  360.141   32.489 -45.21384 53.45264 
1 1 1   13   10   19 o  410.203   15.191   48.349   3.5475   48.762   5.1807   47.984   4.8677  411.760   22.062  408.645   20.887 3.115601 30.38121 
1 1 1   13   10   21 o  406.819   19.137   47.248   4.3800   37.573   5.8424   59.665   6.6186  359.631   28.487  454.008   25.563 -94.37701 38.27470 
1 1 1   13   10   23 o  211.218   31.442   16.013   3.6604   7.2453   6.1434   20.839   4.5578  156.427   55.242  266.009   30.045 -109.5822 62.88335 
1 1 1   13   10   25 o  138.476   37.536   5.3203   4.1873   1.8928   7.4582   6.8980   5.0600  129.610   55.785  147.343   50.237 -17.73328 75.07104 
1 1 1   13   10   27 o  134.532   36.377   4.1498   2.9941   3.1681   3.2557   9.5327   7.6236  106.794   39.839  162.269   60.878 -55.47519 72.75498 
1 1 1   13   10   29 o   88.835   25.880   1.0953   2.3230  -2.5901   3.8707   3.1700   2.9042   75.507   35.441  102.164   37.722 -26.65703 51.75909 
1 1 1   13   10   31 o   69.482   21.848  -0.7559   1.7302   1.7299   2.8339  -2.2331   2.1846   85.422   35.437   53.541   25.564 31.88142 43.69592 
1 1 1   13   10   33 f   99.482   26.115   3.1380   2.0261   7.1698   3.4317   0.9808   2.5102  125.832   41.347   73.131   31.912 52.70061 52.22965 
1 1 1   13   11    0 o  595.785   15.964  101.813   7.6459  101.813   7.6459  101.813   7.6459  595.785   22.577  595.785   22.577 0.000000 0.000000 
1 1 1   13   11    2 o  147.846   34.576   5.6184   3.4080   3.7728   4.4388   8.2685   5.3190  127.371   46.698  168.320   51.003 -40.94929 69.15227 
1 1 1   13   11    4 o  507.380   20.242   76.003   5.5331   66.534   9.1857   81.395   6.9318  481.352   33.462  533.407   22.787 -52.05447 40.48434 
1 1 1   13   11    6 f  897.753   19.262  231.879   9.3800  227.641   15.872  234.153   11.628  890.763   31.245  904.742   22.536 -13.97931 38.52416 
1 1 1   13   11    8 o  656.859   16.116  123.428   6.0343  118.424   8.4746  128.573   8.5944  643.328   23.099  670.391   22.480 -27.06238 32.23203 
1 1 1   13   11   10 o  876.407   15.831  219.780   7.9109  213.824   11.136  225.847   11.240  864.394   22.591  888.420   22.185 -24.02539 31.66246 
1 1 1   13   11   12 o  1063.51   21.999  323.796   13.343  323.796   13.343   0.0000   0.0000  1063.51   21.999  ?   ?       ?      ? 
1 1 1   13   11   14 o  564.292   19.844   91.158   6.3861   91.158   6.3861   0.0000   0.0000  564.292   19.844  ?   ?       ?      ? 
1 1 1   13   11   16 o  769.302   22.560  169.820   9.3314  167.469   11.398  174.601   16.250  762.934   26.197  775.671   36.735 -12.73700 45.11906 
1 1 1   13   11   18 o  1053.50   17.600  320.250   10.551  308.886   15.261  330.657   14.604  1035.15   25.851  1071.85   23.891 -36.70593 35.19997 
1 1 1   13   11   20 o  136.018   36.875   2.8312   4.5441  -4.6542   7.1790   7.8350   5.8696  108.888   50.126  163.149   54.097 -54.26141 73.75005 
1 1 1   13   11   22 o  219.181   32.125   15.191   3.9788   9.2935   5.6009   21.199   5.6532  171.599   52.413  266.762   37.160 -95.16318 64.24980 
1 1 1   13   11   24 o  126.345   32.994   1.4394   3.9925  -7.5901   5.8579   9.2727   5.4561   84.858   40.868  167.832   51.810 -82.97459 65.98786 
1 1 1   13   11   26 o  183.788   38.591   10.351   3.8798   8.2678   4.4589   16.842   7.8722  156.168   46.558  211.407   61.557 -55.23904 77.18112 
1 1 1   13   11   28 o  129.329   30.829   6.2183   2.9829   8.0096   3.2750  -2.5015   7.2258  154.097   37.600  104.560   48.867 49.53739 61.65847 
1 1 1   13   11   30 o  101.598   26.606   3.4302   2.0898   2.0602   3.5020   4.1878   2.6043   93.656   39.168  109.540   36.020 -15.88367 53.21284 
1 1 1   13   11   32 o  107.479   26.923   4.3799   2.0598   6.2290   3.2537   3.1432   2.6609  121.659   40.274   93.300   35.742 28.35890 53.84668 
1 1 1   13   11   34 o   69.663   22.311   0.5524   1.8909   1.8216   2.9011  -0.3851   2.4932   77.259   33.994   62.067   28.906 15.19202 44.62193 
1 1 1   13   12    1 o  695.655   15.820  138.419   6.2750  142.010   8.9111  134.886   8.8379  704.625   22.176  686.684   22.568 17.94098 31.64004 
1 1 1   13   12    3 o  242.745   29.246   16.884   3.9297   19.674   6.1315   14.939   5.1193  261.288   41.148  224.201   41.570 37.08691 58.49112 
1 1 1   13   12    5 o  511.181   16.157   74.776   4.7089   73.562   6.6942   75.965   6.6251  507.051   23.150  515.312   22.544 -8.261658 32.31346 
1 1 1   13   12    7 o  956.594   21.946  262.602   11.971  263.089   16.815  262.102   17.046  957.540   30.792  955.648   31.278 1.892822 43.89167 
1 1 1   13   12    9 o  922.202   15.556  243.396   8.1666  224.598   11.453  262.839   11.648  885.872   22.671  958.532   21.308 -72.65930 31.11271 
1 1 1   13   12   11 o  562.780   13.937   92.171   4.1131   94.750   4.9659   86.536   7.3405  575.905   15.120  549.655   23.417 26.25049 27.87456 
1 1 1   13   12   13 o  461.071   22.994   60.936   6.0460   60.936   6.0460   0.0000   0.0000  461.071   22.994  ?   ?       ?      ? 
1 1 1   13   12   15 o  407.599   26.206   46.851   4.8347   45.995   5.3729   50.491   11.082  400.204   23.541  414.992   46.827 -14.78806 52.41190 
1 1 1   13   12   17 o  624.519   16.754  111.235   5.7933  108.361   7.3169  116.065   9.4845  614.396   20.883  634.643   26.206 -20.24695 33.50842 
1 1 1   13   12   19 o  595.728   16.555  100.610   5.2588   97.564   6.3483  107.272   9.3878  582.728   19.103  608.728   27.042 -26.00018 33.10915 
1 1 1   13   12   21 o  279.988   28.668   23.588   4.5156   24.572   6.0042   22.308   6.8513  287.955   36.563  272.021   44.165 15.93390 57.33556 
1 1 1   13   12   23 o  157.309   36.530   6.5179   4.7890  -4.5164   7.5348   13.997   6.2032  109.100   50.621  205.518   52.681 -96.41781 73.06047 
1 1 1   13   12   25 o  115.731   35.057   0.7438   3.5254   5.2126   7.3683  -0.5829   4.0147  142.246   57.871   89.216   39.585 53.02959 70.11466 
1 1 1   13   12   27 o  112.175   37.128  -4.5691   4.6822   6.4189   10.059  -7.6080   5.2902  147.982   64.235   76.369   37.255 71.61297 74.25671 
1 1 1   13   12   29 o  106.323   31.482   1.4880   2.5674   0.1600   2.8421   7.3783   5.9856   76.624   33.682  136.023   53.197 -59.39877 62.96365 
1 1 1   13   12   31 o   79.737   23.806   0.9545   1.7859   2.9527   3.0701  -0.0675   2.1956   94.427   37.729   65.046   29.041 29.38046 47.61176 
1 1 1   13   12   33 o   64.230   21.130  -0.3378   1.7776  -1.0696   3.2447  -0.0240   2.1248   66.869   31.707   61.591   27.939 5.278309 42.25993 
1 1 1   13   13    0 o  727.415   16.299  151.588   9.5402  151.588   9.5402  151.588   9.5402  727.415   23.050  727.415   23.050 0.000000 0.000000 
1 1 1   13   13    2 o  182.736   34.816   10.183   3.5671   8.6753   6.4182   10.857   4.2908  174.911   56.487  190.561   40.718 -15.65041 69.63293 
1 1 1   13   13    4 o  1568.71   23.574  707.065   21.081  687.260   29.913  726.606   29.714  1546.68   33.913  1590.74   32.755 -44.05725 47.14867 
1 1 1   13   13    6 o  1122.88   15.771  360.786   10.097  369.799   14.289  351.799   14.269  1136.93   22.038  1108.82   22.564 28.10449 31.54114 
1 1 1   13   13    8 o  772.783   21.697  171.648   9.5467  160.548   13.504  182.739   13.498  747.605   31.674  797.961   29.662 -50.35632 43.39418 
1 1 1   13   13   10 o  940.300   15.910  253.142   8.5269  241.918   11.971  264.701   12.148  919.086   22.840  961.514   22.155 -42.42780 31.81986 
1 1 1   13   13   12 o  177.335   28.913   9.5484   2.8335   8.8883   4.4266   10.007   3.6880  171.703   44.752  182.968   36.622 -11.26465 57.82654 
1 1 1   13   13   14 f  461.238   24.049   61.664   4.8986   61.733   5.4278   61.359   11.374  464.058   20.510  458.417   43.506 5.641022 48.09766 
1 1 1   13   13   16 o  408.373   23.789   48.605   5.4994   45.977   8.1506   50.802   7.4511  397.703   35.937  419.043   31.180 -21.33954 47.57740 
1 1 1   13   13   18 o  486.392   22.655   69.981   6.1714   60.541   9.2135   77.663   8.3114  455.026   35.505  517.759   28.148 -62.73358 45.30958 
1 1 1   13   13   20 o  155.688   44.205   3.7429   5.7572   1.1706   7.0562   8.8652   9.9574  129.272   54.911  182.103   69.289 -52.83096 88.40922 
1 1 1   13   13   22 o  119.476   35.201   1.7220   4.0294   3.3226   5.5972  -0.0000   5.8055  127.409   50.930  111.544   48.606 15.86450 70.40215 
1 1 1   13   13   24 f  166.110   36.293   9.3112   4.0225   12.729   5.4776   5.3105   5.9261  194.191   49.357  138.030   53.222 56.16164 72.58587 
1 1 1   13   13   26 o  171.348   38.984   12.054   4.7880   1.2224   10.903   14.642   5.3293  136.960   62.574  205.737   46.514 -68.77711 77.96805 
1 1 1   13   13   28 o  111.923   36.065   0.0634   5.3903 -10.1746   10.014   4.2403   6.3960  101.372   49.824  122.473   52.157 -21.10033 72.13078 
1 1 1   13   13   30 o   98.108   29.657   2.0619   2.5414   1.1213   2.9072   5.1095   5.2331   81.262   34.899  114.953   47.961 -33.69098 59.31405 
1 1 1   13   13   32 o   77.885   25.519   0.4348   2.0244   2.5044   5.0107   0.0311   2.2130   91.894   42.146   63.876   28.786 28.01796 51.03812 
1 1 1   13   14    1 f  263.998   22.395   20.153   3.3467   18.108   4.8594   21.998   4.6158  251.034   33.943  276.962   29.223 -25.92780 44.79020 
1 1 1   13   14    3 o  1663.91   23.804  795.595   22.586  787.756   31.988  803.389   31.896  1655.66   33.879  1672.17   33.447 -16.51172 47.60764 
1 1 1   13   14    5 o  1189.33   16.055  404.803   10.887  393.064   15.333  416.740   15.461  1171.89   22.943  1206.76   22.466 -34.87085 32.11066 
1 1 1   13   14    7 o  192.461   26.085   10.998   2.7481   10.774   3.7058   11.272   4.0964  190.485   35.417  194.436   38.306 -3.951096 52.16982 
1 1 1   13   14    9 f  403.949   22.243   46.969   5.1116   51.040   7.2672   42.983   7.1913  421.418   30.238  386.480   32.628 34.93774 44.48518 
1 1 1   13   14   11 o  137.421   29.142   5.5901   2.4892   6.4821   3.2900   4.3959   3.8069  147.021   38.708  127.820   43.575 19.20123 58.28416 
1 1 1   13   14   13 o  476.431   24.611   71.458   4.8793   74.547   5.3870   57.349   11.514  510.201   18.514  442.662   45.608 67.53949 49.22297 
1 1 1   13   14   15 o  626.537   21.547  111.601   6.4119  110.105   7.2573  116.922   13.688  619.459   20.543  633.616   37.882 -14.15723 43.09404 
1 1 1   13   14   17 o  610.691   25.090  109.546   8.2815  110.811   10.243  107.156   14.073  618.256   29.050  603.126   40.916 15.12958 50.17994 
1 1 1   13   14   19 o  167.826   40.339   7.8224   3.6982   7.8558   3.9934   7.6209   9.8014  159.513   42.945  176.138   68.298 -16.62540 80.67770 
1 1 1   13   14   21 o  461.978   31.003   68.986   7.1929   56.188   13.017   74.611   8.6301  421.009   54.216  502.947   30.088 -81.93787 62.00567 
1 1 1   13   14   23 o  172.281   38.713   10.078   4.2929   10.892   5.8508   9.1282   6.3182  179.043   53.322  165.518   56.138 13.52451 77.42532 
1 1 1   13   14   25 o   89.727   27.618  -2.0347   3.0284  -7.8300   4.4152   3.1142   4.1617   67.480   33.149  111.974   44.184 -44.49442 55.23700 
1 1 1   13   14   27 o  134.088   55.642   5.8787   6.9893   0.0000   0.0000   5.8787   6.9893  ?   ?   134.088   55.642      ?      ? 
1 1 1   13   14   29 f  121.564   37.431   5.5044   4.8079   1.3064   10.180   6.7097   5.4546  115.900   55.296  127.228   50.463 -11.32777 74.86115 
1 1 1   13   14   31 o  107.489   31.214   5.1815   3.1333   5.9903   3.8832   3.6721   5.3045  114.789   43.367  100.188   44.906 14.60033 62.42803 
1 1 1   13   14   33 o   66.960   21.530   0.4948   1.7983  -0.4557   2.9758   1.0416   2.2570   65.457   30.833   68.463   30.057 -3.006401 43.05942 
1 1 1   13   15    0 o  669.263   16.510  128.435   8.8870  128.435   8.8870  128.435   8.8870  669.263   23.349  669.263   23.349 -0.000000 0.000000 
1 1 1   13   15    2 o  1182.33   15.922  400.081   10.735  396.420   15.175  403.749   15.189  1176.90   22.610  1187.76   22.423 -10.86584 31.84361 
1 1 1   13   15    4 o  1519.45   23.427  663.796   20.300  663.557   28.836  664.030   28.582  1519.12   33.285  1519.78   32.977 -0.6574707 46.85487 
1 1 1   13   15    6 f  268.185   21.747   20.621   3.3216   19.806   4.5564   21.545   4.8525  262.564   30.430  273.807   31.076 -11.24323 43.49351 
1 1 1   13   15    8 o  992.746   15.474  282.215   8.7443  282.697   12.766  281.789   12.002  993.414   22.534  992.077   21.213 1.336731 30.94790 
1 1 1   13   15   10 o  504.025   21.840   73.140   6.2764   71.728   8.7733   74.620   8.9826  499.053   30.827  508.996   30.945 -9.942719 43.67936 
1 1 1   13   15   12 o  1049.58   21.703  317.912   12.990  314.490   18.286  321.400   18.457  1043.87   30.717  1055.29   30.669 -11.42432 43.40635 
1 1 1   13   15   14 o  572.611   22.535   93.095   6.3987   91.275   7.3751   98.634   12.868  563.568   22.947  581.654   38.792 -18.08612 45.07095 
1 1 1   13   15   16 f  296.457   20.097   24.734   3.3454   21.369   4.2981   29.904   5.3283  271.719   27.737  321.194   29.089 -49.47464 40.19338 
1 1 1   13   15   18 f  233.252   31.823   14.686   3.7431   22.448   7.3076   11.925   4.3582  269.091   49.441  197.414   40.080 71.67638 63.64623 
1 1 1   13   15   20 o  262.291   38.259   28.533   4.6528   10.898   10.549   32.793   5.1844  189.859   71.537  334.724   27.159 -144.8654 76.51891 
1 1 1   13   15   22 o  131.710   35.141   2.2928   4.0621  -3.2483   5.3703   9.7025   6.2101   92.951   42.989  170.470   55.601 -77.51975 70.28237 
1 1 1   13   15   24 o  121.716   36.924   2.2044   4.5268   2.0492   7.1696   2.3073   5.8376  125.076   54.261  118.356   50.092 6.719635 73.84750 
1 1 1   13   15   26 o  162.826   41.887   10.677   5.0656   11.585   6.8428   9.5763   7.5347  169.579   58.403  156.073   60.059 13.50635 83.77334 
1 1 1   13   15   28 o  116.948   34.727   3.1241   4.8421 -14.0531   9.8280   8.6302   5.5643   91.556   45.736  142.340   52.270 -50.78468 69.45412 
1 1 1   13   15   30 o  108.962   31.343   4.5866   3.0787   7.2469   4.7120   2.6050   4.0667  123.617   47.513   94.308   40.889 29.30901 62.68532 
1 1 1   13   15   32 o   77.758   26.015   0.4110   2.9614   0.7088   3.6116  -0.2002   5.1734   75.949   35.172   79.566   38.341 -3.617088 52.02966 
1 1 1   13   16    1 o  491.769   17.009   69.075   4.7630   65.053   6.5333   73.637   6.9587  476.538   24.040  507.001   24.067 -30.46262 34.01710 
1 1 1   13   16    3 o  513.228   16.614   75.431   4.8577   80.226   6.9384   70.821   6.8032  529.273   22.987  497.183   23.994 32.08975 33.22840 
1 1 1   13   16    5 o  1353.33   23.181  527.327   17.886  516.918   25.411  537.547   25.180  1339.91   33.255  1366.76   32.305 -26.84631 46.36218 
1 1 1   13   16    7 o  436.488   18.179   54.715   4.5209   57.223   6.3773   52.182   6.4100  446.621   25.038  426.355   26.363 20.26553 36.35809 
1 1 1   13   16    9 o  732.028   14.899  152.190   6.0860  160.032   9.7694  147.216   7.7801  746.968   22.934  717.086   19.025 29.88202 29.79747 
1 1 1   13   16   11 o  313.709   23.229   27.953   4.1143   23.386   5.4449   34.031   6.2813  284.276   33.586  343.141   32.099 -58.86478 46.45759 
1 1 1   13   16   13 o  608.167   15.061  107.937   5.0317  113.347   6.4093   99.247   8.1232  628.969   17.869  587.366   24.251 41.60345 30.12290 
1 1 1   13   16   15 o  692.745   18.699  139.286   7.2445  135.661   11.334  141.790   9.4199  684.124   29.052  701.365   23.551 -17.24084 37.39840 
1 1 1   13   16   17 o  437.407   20.957   54.639   5.1771   46.660   6.8126   65.545   7.9648  400.272   29.844  474.543   29.431 -74.27090 41.91499 
1 1 1   13   16   19 o  153.045   39.868   6.2959   4.5812   8.1147   6.8856   4.8512   6.1365  165.000   58.460  141.089   54.224 23.91113 79.73583 
1 1 1   13   16   21 o  189.538   37.975   12.284   4.4192   15.039   5.9531   8.9011   6.5955  213.381   49.825  165.696   57.322 47.68527 75.94981 
1 1 1   13   16   23 o  136.421   36.783   5.3824   3.9272   4.5073   5.1285   6.6230   6.1063  127.790   49.445  145.052   54.472 -17.26155 73.56574 
1 1 1   13   16   25 o  149.338   44.381   4.2498   6.1586   16.645   11.088  -1.2800   7.4060  188.207   72.736  110.468   50.876 77.73910 88.76250 
1 1 1   13   16   27 o  115.259   33.986   3.7890   3.5380   5.4048   6.1125   2.9750   4.3387  124.882   51.946  105.636   43.838 19.24677 67.97140 
1 1 1   13   16   29 o   83.965   28.609  -3.2285   4.1347  -8.1368   7.0076  -0.6072   5.1210   80.651   40.012   87.279   40.902 -6.628578 57.21815 
1 1 1   13   16   31 o  101.860   32.411   5.4578   3.9528   5.6479   5.3363   5.2267   5.8839  102.984   45.669  100.735   46.002 2.248314 64.82112 
1 1 1   13   17    0 o  257.747   23.354   19.942   4.6364   19.942   4.6364   19.942   4.6364  257.747   33.027  257.747   33.027 0.000000 0.000000 
1 1 1   13   17    2 o  874.855   15.922  219.288   7.9422  213.693   11.220  224.905   11.244  863.623   22.782  886.087   22.250 -22.46417 31.84473 
1 1 1   13   17    4 o  837.481   15.989  200.994   7.6347  196.006   10.775  206.022   10.819  827.004   22.847  847.958   22.373 -20.95398 31.97707 
1 1 1   13   17    6 o  155.356   37.719   6.5284   4.0163   6.6638   6.0482   6.4216   5.3715  157.856   54.877  152.856   51.762 5.000061 75.43707 
1 1 1   13   17    8 o  959.162   16.042  263.944   8.7748  267.399   12.449  260.532   12.370  965.420   22.612  952.905   22.763 12.51538 32.08480 
1 1 1   13   17   10 o  568.391   21.773   93.232   7.0533   91.053   9.7703   95.605   10.193  561.526   30.510  575.256   31.070 -13.73108 43.54571 
1 1 1   13   17   12 o  846.105   19.650  210.085   9.0668  219.617   11.429  193.899   14.893  874.042   22.928  818.168   31.919 55.87469 39.30060 
1 1 1   13   17   14 o  203.425   41.816   8.6412   3.5680   20.775   10.974   7.2068   3.7731  253.075   72.385  153.776   41.888 99.29889 83.63177 
1 1 1   13   17   16 o  574.937   20.227   96.440   6.6046   91.334   9.6197  100.994   9.0839  559.884   30.128  589.990   26.998 -30.10608 40.45493 
1 1 1   13   17   18 o  352.306   24.950   39.607   4.6103   47.867   5.9458   27.152   7.3007  405.188   25.731  299.423   42.755 105.7652 49.90088 
1 1 1   13   17   20 o  285.893   26.081   24.973   4.2145   26.367   5.7135   23.309   6.2418  296.085   33.837  275.702   39.698 20.38275 52.16239 
1 1 1   13   17   22 o  270.619   31.155   23.993   4.5743   25.168   5.9900   22.349   7.0852  284.559   36.912  256.679   50.201 27.88019 62.31044 
1 1 1   13   17   24 o  138.311   41.882   5.0257   5.3871   3.8789   11.127   5.3768   6.1568  143.261   64.555  133.361   53.378 9.899261 83.76499 
1 1 1   13   17   26 o   81.721   40.131  -8.6185   6.4519   0.0000   0.0000  -8.6185   6.4519  ?   ?    81.721   40.131      ?      ? 
1 1 1   13   17   28 o  110.672   31.702   4.1861   3.4937   7.3745   4.4629  -0.8611   5.6150  130.760   46.986   90.584   42.571 40.17594 63.40360 
1 1 1   13   17   30 f  119.768   36.708   8.7370   4.4741   13.323   7.3879   6.0810   5.6223  132.079   56.148  107.457   47.301 24.62180 73.41621 
1 1 1   13   18    1 o  293.842   19.835   24.846   3.3171   22.923   4.6705   26.803   4.7119  282.275   29.014  305.409   27.054 -23.13434 39.66969 
1 1 1   13   18    3 o  789.666   15.955  178.764   7.1844  175.103   10.081  182.542   10.242  781.441   22.621  797.890   22.508 -16.44928 31.91092 
1 1 1   13   18    5 o  396.258   24.584   48.227   4.9682   38.695   8.8495   52.614   6.0036  364.491   42.573  428.026   24.595 -63.53455 49.16706 
1 1 1   13   18    7 o  374.153   22.961   39.620   4.5548   38.230   5.4655   42.780   8.2409  364.514   26.292  383.793   37.652 -19.27914 45.92290 
1 1 1   13   18    9 o  669.070   31.678  129.479   12.087   0.0000   0.0000  129.479   12.087  ?   ?   669.070   31.678      ?      ? 
1 1 1   13   18   11 o  507.229   20.234   74.313   5.7225   74.588   9.1054   74.133   7.3569  507.290   31.474  507.168   25.436 0.1217957 40.46727 
1 1 1   13   18   13 o  654.406   13.093  122.806   4.8793  125.743   7.1254  120.213   6.6953  661.674   18.883  647.138   18.142 14.53668 26.18577 
1 1 1   13   18   15 o  727.689   27.985  157.105   11.571  152.785   16.948  160.878   15.837  716.991   41.449  738.387   37.610 -21.39618 55.96906 
1 1 1   13   18   17 o  536.846   17.955   81.985   5.3339   76.215   6.6768   92.162   8.8675  512.464   22.846  561.228   27.706 -48.76428 35.91034 
1 1 1   13   18   19 o  157.542   32.852   8.1179   3.6899   0.9437   5.9310   12.648   4.7131  116.087   49.851  198.998   42.801 -82.91026 65.70412 
1 1 1   13   18   21 o  165.991   37.983   9.3629   4.4537   13.562   6.0402   4.3596   6.5930  197.440   52.671  134.543   54.740 62.89667 75.96548 
1 1 1   13   18   23 o  127.430   37.145   4.0789   4.3964   5.4484   6.2017   2.6955   6.2332  134.549   53.668  120.311   51.369 14.23736 74.29047 
1 1 1   13   18   25 o   96.235   41.742   1.1994   4.2415   0.0000   0.0000   1.1994   4.2415  ?   ?    96.235   41.742      ?      ? 
1 1 1   13   18   27 o  110.770   35.790   3.1137   3.6301   3.5277   12.118   3.0729   3.8048  121.184   58.468  100.355   41.293 20.82887 71.57908 
1 1 1   13   18   29 o   98.065   32.696   2.3569   4.5202   5.3062   7.6126   0.7508   5.6178  106.556   49.915   89.574   42.246 16.98255 65.39249 
1 1 1   13   18   31 o   67.934   24.064  -5.9345   3.9128  -9.1974   5.4412  -2.4404   5.6307   62.006   31.365   73.863   36.504 -11.85735 48.12810 
1 1 1   13   19    0 o  610.804   17.106  107.270   8.3967  107.270   8.3967  107.270   8.3967  610.804   24.192  610.804   24.192 -0.000000 0.000000 
1 1 1   13   19    2 o  208.718   25.357   12.824   2.9513   12.104   4.1738   13.544   4.1736  201.073   37.786  216.363   33.825 -15.28915 50.71415 
1 1 1   13   19    4 o  322.339   20.093   30.049   3.6793   32.564   5.1526   27.431   5.2557  336.334   26.863  308.344   29.888 27.99017 40.18639 
1 1 1   13   19    6 o  301.139   31.939   27.466   5.2299   22.918   7.7526   31.264   7.0848  274.435   51.425  327.843   37.894 -53.40833 63.87857 
1 1 1   13   19    8 o  150.397   33.643   6.3446   3.1707   5.3047   4.0305   8.0332   5.1360  136.657   44.804  164.137   50.200 -27.47937 67.28673 
1 1 1   13   19   10 o  370.509   21.803   39.931   4.4777   40.319   5.7167   39.315   7.2025  373.605   26.831  367.413   34.375 6.192200 43.60642 
1 1 1   13   19   12 o  214.521   29.530   14.067   3.5245   21.456   5.1377   7.4988   4.8441  271.184   33.221  157.857   48.832 113.3266 59.06067 
1 1 1   13   19   14 o  212.115   37.240   5.6624   3.5068   31.859   10.643   2.4722   3.7142  315.135   61.430  109.095   42.115 206.0394 74.48075 
1 1 1   13   19   16 o  185.539   41.545   10.844   4.0193   8.6350   11.182   11.171   4.3071  181.881   72.217  189.198   41.095 -7.316864 83.09059 
1 1 1   13   19   18 f  150.580   37.640   6.8941   3.9929   6.6586   5.2162   7.2272   6.2052  147.178   50.974  153.981   55.396 -6.803055 75.28008 
1 1 1   13   19   20 o  137.086   37.732   5.1500   4.2050   4.4034   5.5506   6.1556   6.4420  129.934   51.105  144.237   55.525 -14.30305 75.46362 
1 1 1   13   19   22 o  133.349   36.660   4.5930   4.1295   1.2994   5.4566   9.0079   6.3176  109.203   47.356  157.495   55.976 -48.29262 73.32053 
1 1 1   13   19   24 o  197.824   67.187   18.633   9.0503   0.0000   0.0000   18.633   9.0503  ?   ?   197.824   67.187      ?      ? 
1 1 1   13   19   26 o  176.025   44.387   12.104   4.1673   28.019   11.972   9.9104   4.4453  196.048   75.633  156.003   46.482 40.04541 88.77442 
1 1 1   13   19   28 o   72.921   25.482  -4.7791   3.5434 -13.5514   7.9087  -2.5758   3.9635   75.392   38.098   70.450   33.850 4.941742 50.96358 
1 1 1   13   19   30 o   87.626   30.204   0.6195   3.6267   10.389   8.1098  -1.8228   4.0547  106.405   50.359   68.847   33.363 37.55839 60.40771 
1 1 1   13   20    1 o  294.570   20.798   25.194   3.4584   29.367   4.9028   21.061   4.8791  319.285   26.926  269.855   31.704 49.43042 41.59507 
1 1 1   13   20    3 o  485.215   17.992   68.004   4.9592   62.109   7.0882   73.657   6.9408  464.301   26.770  506.128   24.047 -41.82663 35.98407 
1 1 1   13   20    5 o  1084.20   16.095  337.806   9.9477  350.576   14.142  325.299   13.995  1104.60   22.450  1063.81   23.069 40.79224 32.18976 
1 1 1   13   20    7 o  259.029   37.710   20.316   5.3444   23.989   8.2470   17.657   7.0174  279.129   53.758  238.929   52.897 40.19983 75.41954 
1 1 1   13   20    9 f  598.730   22.864  104.959   7.7553  115.286   10.779   93.878   11.166  630.294   29.989  567.166   34.522 63.12830 45.72853 
1 1 1   13   20   11 o  111.195   28.978   2.4978   2.6161  -0.3129   3.8284   4.9600   3.5831   91.717   39.719  130.674   42.206 -38.95671 57.95687 
1 1 1   13   20   13 o  579.719   31.603   98.473   10.448   0.0000   0.0000   98.473   10.448  ?   ?   579.719   31.603      ?      ? 
1 1 1   13   20   15 o  317.827   39.143   37.421   3.7502   26.091   12.192   38.605   3.9412  270.073   75.968  365.582   18.904 -95.50958 78.28515 
1 1 1   13   20   17 o  118.010   37.866   0.0549   3.6288  -0.0397   10.868   0.0668   3.8497  143.814   64.382   92.205   39.880 51.60913 75.73273 
1 1 1   13   20   19 f   96.655   30.335  -0.9465   3.2861   1.3287   5.2163  -2.4436   4.2312  110.213   47.023   83.096   38.336 27.11692 60.66985 
1 1 1   13   20   21 o  135.693   36.678   4.3208   4.3061  -0.6715   5.7766   10.564   6.4601  103.034   46.463  168.351   56.766 -65.31706 73.35690 
1 1 1   13   20   23 f  139.575   59.911   6.5771   8.5597   0.0000   0.0000   6.5771   8.5597  ?   ?   139.575   59.911      ?      ? 
1 1 1   13   20   25 o   74.938   26.139  -9.4901   4.1673 -17.6054   6.4260  -3.6002   5.4745   66.068   33.494   83.808   40.138 -17.74049 52.27719 
1 1 1   13   20   27 o  114.787   35.186   6.2910   4.2564   7.5118   6.1914   5.1968   5.8612  119.950   51.205  109.623   48.274 10.32678 70.37290 
1 1 1   13   20   29 o   92.757   29.981   1.0846   3.9095  -6.8266   5.3993   9.8035   5.6682   66.938   33.507  118.576   49.727 -51.63876 59.96217 
1 1 1   13   21    0 o  327.947   21.053   31.634   5.4628   31.634   5.4628   31.634   5.4628  327.947   29.773  327.947   29.773 0.000000 0.000000 
1 1 1   13   21    2 o  754.418   16.283  163.793   7.0027  159.849   9.9566  167.654   9.8509  745.311   23.425  763.525   22.623 -18.21381 32.56622 
1 1 1   13   21    4 o  518.029   17.417   77.211   5.1410   80.884   7.4580   73.885   7.0964  529.734   24.687  506.323   24.576 23.41177 34.83459 
1 1 1   13   21    6 o  175.399   28.553   9.3820   2.7658   9.3949   4.3050   9.3729   3.6093  174.984   43.361  175.814   37.160 -0.8305969 57.10554 
1 1 1   13   21   10 o  577.664   17.477   96.717   5.7359   94.135   8.4166   98.956   7.8379  570.049   25.890  585.279   23.483 -15.23004 34.95317 
1 1 1   13   21   12 o  500.094   18.051   72.665   5.1451   76.151   7.3663   69.344   7.1893  511.908   25.233  488.279   25.818 23.62915 36.10100 
1 1 1   13   21   14 o  511.765   32.011   77.634   9.3426   0.0000   0.0000   77.634   9.3426  ?   ?   511.765   32.011      ?      ? 
1 1 1   13   21   16 o  123.839   34.007   4.1540   3.0005 -11.5164   10.884   5.4428   3.1215  115.948   55.807  131.730   38.879 -15.78199 68.01463 
1 1 1   13   21   18 o  269.613   41.580   31.838   6.0795   13.380   12.286   37.823   6.9961  188.652   75.440  350.574   34.993 -161.9217 83.16074 
1 1 1   13   21   20 o  341.830   25.390   35.645   4.8619   28.858   6.2618   45.947   7.7150  301.829   36.379  381.831   35.430 -80.00192 50.78063 
1 1 1   13   21   22 o  117.038   54.060   0.0050   8.4522   0.0000   0.0000   0.0050   8.4522  ?   ?   117.038   54.060      ?      ? 
1 1 1   13   21   24 o  140.467   42.533   8.7644   5.5082   12.609   11.282   7.5612   6.3115  147.729   65.903  133.206   53.787 14.52271 85.06612 
1 1 1   13   21   26 o   82.620   28.257  -3.0900   4.0793  -4.4682   5.9812  -1.8914   5.5779   80.598   39.382   84.642   40.532 -4.044395 56.51342 
1 1 1   13   21   28 o   90.975   30.459   2.1929   4.1849   5.3528   6.2210  -0.4191   5.6560   99.856   46.213   82.095   39.690 17.76023 60.91803 
1 1 1   13   22    1 o  669.883   16.665  129.376   6.3653  132.731   9.0320  126.065   8.9721  678.584   23.339  661.183   23.795 17.40094 33.33016 
1 1 1   13   22    3 o  398.542   18.747   46.012   4.2540   43.959   6.0928   47.966   5.9422  389.654   27.418  407.429   25.574 -17.77457 37.49423 
1 1 1   13   22    5 o  424.398   18.339   52.143   4.4343   50.123   6.3158   54.106   6.2272  416.126   26.614  432.671   25.237 -16.54459 36.67719 
1 1 1   13   22    7 o  788.670   22.456  181.572   10.090  190.373   14.256  172.736   14.284  808.295   30.926  769.044   32.569 39.25122 44.91282 
1 1 1   13   22    9 o  945.152   23.664  262.521   12.750  254.303   18.008  270.781   18.055  929.903   33.958  960.400   32.965 -30.49683 47.32705 
1 1 1   13   22   11 o  750.966   16.835  163.879   7.2073  160.593   10.249  167.093   10.137  743.299   24.179  758.632   23.430 -15.33344 33.66932 
1 1 1   13   22   13 o  267.028   40.374   24.939   4.7947   20.671   11.209   25.895   5.3045  238.717   74.353  295.339   31.494 -56.62207 80.74797 
1 1 1   13   22   15 o  358.559   33.842   38.860   6.9200   0.0000   0.0000   38.860   6.9200  ?   ?   358.559   33.842      ?      ? 
1 1 1   13   22   17 o  342.400   20.124   35.151   3.7904   35.549   6.2379   34.918   4.7726  341.601   32.020  343.199   24.385 -1.597595 40.24808 
1 1 1   13   22   19 o  140.623   41.051   5.0283   4.0756   8.3851   10.897   4.4824   4.3946  159.012   67.908  122.234   46.146 36.77805 82.10262 
1 1 1   13   22   21 o  110.215   48.955   1.3748   6.1563   0.0000   0.0000   1.3748   6.1563  ?   ?   110.215   48.955      ?      ? 
1 1 1   13   22   23 o  154.003   63.548   12.867   9.0434   0.0000   0.0000   12.867   9.0434  ?   ?   154.003   63.548      ?      ? 
1 1 1   13   22   25 o  117.416   29.571   5.8101   3.0880  -0.8684   5.4096   9.0381   3.7609   87.155   41.212  147.676   42.418 -60.52122 59.14155 
1 1 1   13   22   27 o   90.895   30.277   2.2864   4.0619   1.2686   5.7010   3.3357   5.7888   87.613   41.684   94.177   43.922 -6.563988 60.55311 
1 1 1   13   23    0 o  777.191   16.688  173.791   10.438  173.791   10.438  173.791   10.438  777.191   23.600  777.191   23.600 0.000000 0.000000 
1 1 1   13   23    2 o  680.227   16.894  133.675   6.5526  133.086   9.3326  134.249   9.2023  678.665   24.113  681.788   23.668 -3.123230 33.78758 
1 1 1   13   23    4 o  208.285   26.192   12.910   2.9972   9.5667   4.0642   16.895   4.4377  176.214   41.183  240.355   32.375 -64.14116 52.38499 
1 1 1   13   23    6 o  217.979   54.605   15.180   6.7736   0.0000   0.0000   15.180   6.7736  ?   ?   217.979   54.605      ?      ? 
1 1 1   13   23    8 o  138.761   32.382   5.6199   3.0050   6.9334   4.3265   4.3958   4.1768  150.150   46.100  127.372   45.488 22.77782 64.76439 
1 1 1   13   23   10 o  171.394   34.893   10.270   3.3706   2.5174   8.9788   11.542   3.6365  145.408   61.858  197.380   32.307 -51.97141 69.78634 
1 1 1   13   23   12 o  241.656   26.283   17.582   3.5789   18.420   5.5497   16.986   4.6828  245.582   39.626  237.729   34.540 7.852921 52.56681 
1 1 1   13   23   14 o  287.699   38.868   28.146   4.8589   27.282   11.104   28.350   5.4037  268.164   71.357  307.234   30.841 -39.07037 77.73628 
1 1 1   13   23   16 o  121.226   43.257   4.4232   3.7763   0.0000   0.0000   4.4232   3.7763  ?   ?   121.226   43.257      ?      ? 
1 1 1   13   23   18 o  151.142   31.890   8.9758   2.6688  -4.3378   10.798   9.8420   2.7542  122.087   57.876  180.197   26.802 -58.10951 63.78039 
1 1 1   13   23   20 o  356.117   19.188   39.115   3.7409   39.466   6.2045   38.915   4.6890  353.404   30.785  358.830   22.914 -5.426178 38.37662 
1 1 1   13   23   22 o  215.342   70.290   26.031   9.9238   0.0000   0.0000   26.031   9.9238  ?   ?   215.342   70.290      ?      ? 
1 1 1   13   23   24 o   75.753   26.241  -1.2907   2.2998  -5.1231   7.8268  -0.9285   2.4060   89.150   43.862   62.356   28.817 26.79346 52.48164 
1 1 1   13   23   26 o  106.450   35.145   6.2390   4.8782   3.7127   5.8785   11.826   8.7423   96.190   44.660  116.709   54.278 -20.51836 70.28982 
1 1 1   13   24    1 o  333.338   21.223   32.505   4.0333   31.455   5.6613   33.588   5.7475  327.792   30.285  338.884   29.740 -11.09174 42.44528 
1 1 1   13   24    3 o  429.119   18.421   53.461   4.4953   48.111   6.2087   59.355   6.5172  406.361   26.791  451.877   25.290 -45.51581 36.84215 
1 1 1   13   24    5 o  356.542   27.254   37.452   5.4276   35.351   6.9283   40.790   8.7328  345.164   35.197  367.921   41.620 -22.75705 54.50783 
1 1 1   13   24    7 o  496.371   18.315   71.595   5.1699   78.781   7.6329   65.504   7.0273  519.315   25.773  473.427   26.028 45.88852 36.62936 
1 1 1   13   24    9 o  482.071   18.882   68.385   5.1697   66.857   7.6119   69.694   7.0433  476.347   28.020  487.796   25.319 -11.44885 37.76495 
1 1 1   13   24   11 o  191.593   41.276   9.8415   5.4573   22.813   8.9558   2.1803   6.8828  254.992   62.152  128.193   54.331 126.7998 82.55135 
1 1 1   13   24   13 o  141.802   42.961   1.1035   6.5536   9.4836   9.7276  -5.8614   8.8683  170.825   67.505  112.780   53.157 58.04502 85.92193 
1 1 1   13   24   15 o  174.918   32.004   11.117   3.8936   16.548   4.9405   2.2155   6.3252  229.129   37.809  120.708   51.648 108.4204 64.00819 
1 1 1   13   24   17 o  115.543   34.914   2.9419   3.3779  -4.6894   10.186   3.8848   3.5805  117.551   55.866  113.535   41.892 4.015854 69.82825 
1 1 1   13   24   19 o  128.057   38.607   1.9359   2.5828   15.322   10.278   1.0335   2.6684  174.312   69.227   81.801   34.198 92.51167 77.21382 
1 1 1   13   24   21 o   76.099   32.445   0.7704   2.4801   0.0000   0.0000   0.7704   2.4801  ?   ?    76.099   32.445      ?      ? 
1 1 1   13   24   23 o  129.961   37.332   7.1967   3.7171   14.131   7.9225   5.2393   4.2092  147.680   60.037  112.242   44.389 35.43718 74.66454 
1 1 1   13   24   25 o  131.630   29.967   7.4232   2.2354   10.295   5.2319   6.7819   2.4725  130.757   50.111  132.504   32.877 -1.746567 59.93370 
1 1 1   13   25    0 o  428.598   19.398   53.735   6.6424   53.735   6.6424   53.735   6.6424  428.598   27.433  428.598   27.433 0.000000 0.000000 
1 1 1   13   25    2 o  472.522   18.325   65.291   4.9361   66.021   6.9090   64.531   7.0548  475.411   25.483  469.633   26.341 5.778320 36.65023 
1 1 1   13   25    4 o  603.391   23.954  107.682   8.2021  100.204   10.954  117.227   12.374  580.330   33.098  626.452   34.637 -46.12201 47.90870 
1 1 1   13   25    6 o  431.041   18.791   54.597   4.6186   54.534   6.4873   54.662   6.5771  430.871   26.401  431.211   26.746 -0.3405151 37.58115 
1 1 1   13   25    8 o  139.430   33.619   5.9701   3.2865   3.9156   5.1000   7.4292   4.2979  126.764   49.234  152.095   45.793 -25.33147 67.23862 
1 1 1   13   25   10 o  267.766   24.054   21.940   3.6398   19.661   5.2990   23.975   5.0082  253.154   36.705  282.379   31.100 -29.22559 48.10839 
1 1 1   13   25   12 o  136.815   36.812   5.5904   3.5378   1.9192   8.8145   6.2954   3.8625  134.643   59.248  138.987   43.706 -4.343536 73.62401 
1 1 1   13   25   14 o  104.419   35.472  -7.8401   6.1703 -10.0068   9.0505  -5.9584   8.4344  102.138   49.576  106.700   50.746 -4.561890 70.94328 
1 1 1   13   25   16 o  108.049   40.044   3.4613   3.2786   0.0000   0.0000   3.4613   3.2786  ?   ?   108.049   40.044      ?      ? 
1 1 1   13   25   18 o   95.673   31.315   0.4067   2.9704  -7.5909   9.7109   1.2323   3.1200  104.077   50.706   87.269   36.761 16.80845 62.62949 
1 1 1   13   25   20 f  237.184   23.321   17.456   3.1544   0.0000   0.0000   17.456   3.1544  ?   ?   237.184   23.321      ?      ? 
1 1 1   13   25   22 o  119.377   37.508   2.2318   2.5784   21.671   10.213   0.9083   2.6648  162.465   67.326   76.288   33.088 86.17717 75.01693 
1 1 1   13   25   24 o   73.504   27.505  -3.2825   1.3182   9.9808   7.7520  -3.6774   1.3377  114.830   52.575   32.178   16.186 82.65250 55.01011 
1 1 1   13   26    1 o  254.147   25.990   19.841   3.5087   13.098   4.7811   27.710   5.1652  202.742   42.700  305.553   29.642 -102.8105 51.98055 
1 1 1   13   26    3 o  298.597   30.936   27.746   5.2490   27.542   7.1255   27.988   7.7616  298.459   41.864  298.734   45.559 -0.2746277 61.87238 
1 1 1   13   26    5 o  268.295   24.122   22.271   3.5793   26.843   4.9158   17.111   5.2218  300.553   28.680  236.038   38.793 64.51515 48.24344 
1 1 1   13   26    7 o  349.709   20.993   36.827   4.1516   34.368   6.1402   38.899   5.6348  337.612   31.891  361.806   27.309 -24.19421 41.98617 
1 1 1   13   26    9 f  180.954   32.080   11.012   3.2701   10.295   5.1907   11.483   4.2108  173.676   49.817  188.232   40.432 -14.55606 64.15999 
1 1 1   13   26   11 o  212.669   28.256   15.100   3.2541   11.743   4.9649   17.628   4.3085  185.234   46.941  240.104   31.465 -54.87035 56.51158 
1 1 1   13   26   13 o  275.129   22.018   23.435   3.4253   26.995   4.8841   19.990   4.8050  297.268   28.810  252.991   33.304 44.27705 44.03618 
1 1 1   13   26   15 o  108.288   32.211   1.7832   3.6593   4.8777   4.6723  -3.1269   5.8854  123.537   47.353   93.040   43.680 30.49745 64.42258 
1 1 1   13   26   17 o   68.939   30.725  -0.3325   2.4457   0.0000   0.0000  -0.3325   2.4457  ?   ?    68.939   30.725      ?      ? 
1 1 1   13   26   19 f   69.957   32.179  -0.9924   2.9507   0.0000   0.0000  -0.9924   2.9507  ?   ?    69.957   32.179      ?      ? 
1 1 1   13   26   21 o   78.173   27.146  -0.4952   2.1530  -7.2872   9.8301  -0.1530   2.2065   92.154   45.989   64.192   28.853 27.96201 54.29110 
1 1 1   13   26   23 o   62.068   23.901  -3.9259   1.5771  -4.7750   9.9948  -3.9042   1.5971   87.912   44.224   36.225   18.146 51.68763 47.80198 
1 1 1   13   27    0 o  102.039   38.032   4.7209   4.1664   4.7209   4.1664   4.7209   4.1664  102.039   53.786  102.039   53.786 0.000000 0.000000 
1 1 1   13   27    2 o  141.229   29.761   2.7597   4.0433   14.027   5.2650 -13.4387   6.3129  206.230   45.943   76.227   37.844 130.0032 59.52257 
1 1 1   13   27    4 o  203.198   28.825   13.255   3.2192   12.298   4.3946   14.363   4.7289  195.097   40.810  211.298   40.720 -16.20148 57.65062 
1 1 1   13   27    6 o  162.409   30.687   8.7889   3.1232   4.5487   4.4757   12.813   4.3603  125.615   46.740  199.203   39.775 -73.58822 61.37324 
1 1 1   13   27    8 o  122.950   32.731   4.2886   3.1641   3.0384   4.5944   5.4165   4.3639  114.729   46.044  131.172   46.533 -16.44248 65.46263 
1 1 1   13   27   10 o  329.466   22.178   33.499   4.1567   31.895   5.9792   34.999   5.7825  320.765   32.686  338.166   29.984 -17.40134 44.35606 
1 1 1   13   27   12 o  122.060   36.028   0.7828   3.3264   10.727   7.9960  -1.2983   3.6579  164.247   62.188   79.873   36.395 84.37429 72.05502 
1 1 1   13   27   14 o   88.418   29.993  -1.0640   2.3745  -1.6507   8.2166  -1.0105   2.4803  111.006   51.954   65.830   29.986 45.17606 59.98639 
1 1 1   13   27   16 o  215.130   39.562   18.757   4.2122   22.197   10.190   18.048   4.6260  197.869   71.008  232.392   34.905 -34.52278 79.12370 
1 1 1   13   27   20 o  156.961   39.876   12.326   3.8376   21.844   10.306   10.793   4.1350  156.299   66.377  157.623   44.209 -1.324371 79.75169 
1 1 1   13   27   22 o  131.109   31.953   7.5608   2.4883   12.700   5.5498   6.2677   2.7837  141.193   52.144  121.025   36.948 20.16731 63.90689 
1 1 1   13   28    1 o  373.400   29.410   44.282   6.1597   34.846   8.3877   55.328   9.0752  327.051   44.971  419.750   37.912 -92.69922 58.81933 
1 1 1   13   28    3 o   89.595   27.520   0.0841   2.6561   1.2939   3.4950  -1.5702   4.0867   94.490   39.290   84.700   38.546 9.790306 55.04074 
1 1 1   13   28    5 o   90.842   28.392  -0.2579   2.8847  -0.4700   3.9302  -0.0101   4.2473   88.066   39.116   93.619   41.163 -5.552147 56.78462 
1 1 1   13   28    7 o  121.663   24.942   4.0752   2.4886   9.1048   3.2537  -3.0155   3.8632  167.837   35.121   75.489   35.424 92.34811 49.88338 
1 1 1   13   28    9 o  152.608   32.252   8.0801   3.0988   5.8906   4.2843   10.482   4.4875  132.213   46.174  173.002   45.043 -40.78908 64.50484 
1 1 1   13   28   11 o  135.813   37.837   5.7357   3.7471   8.2591   8.0576   5.0394   4.2327  148.217   60.434  123.408   45.545 24.80935 75.67421 
1 1 1   13   28   13 o  182.986   38.455   13.512   3.9386   14.388   8.7009   13.286   4.4170  172.055   64.936  193.916   41.212 -21.86053 76.90989 
1 1 1   13   28   15 o  144.519   32.509   8.1059   2.9676   9.4440   4.7068   7.2231   3.8232  151.980   48.299  137.058   43.527 14.92210 65.01865 
1 1 1   13   28   17 o  164.947   47.787   11.749   4.7549   0.0000   0.0000   11.749   4.7549  ?   ?   164.947   47.787      ?      ? 
1 1 1   13   28   21 o   93.976   31.982   3.2840   5.1586  -1.0143   9.6110   5.0233   6.1139   89.648   44.849   98.304   45.608 -8.656502 63.96494 
1 1 1   13   29    2 o   85.802   27.286  -0.8024   2.7503  -0.5632   4.2979  -0.9683   3.5791   90.543   40.513   81.060   36.562 9.482872 54.57201 
1 1 1   13   29    4 o  115.918   30.219   3.6895   2.8684   0.4723   4.2523   6.3757   3.8856   95.068   41.508  136.768   43.928 -41.69970 60.43706 
1 1 1   13   29    6 o  206.593   29.805   14.104   3.4556   20.210   5.2726   9.5060   4.5752  250.259   36.944  162.928   46.781 87.33142 59.61005 
1 1 1   13   29    8 o  349.498   20.824   37.928   4.1345   42.642   6.0064   33.683   5.6997  371.131   28.379  327.864   30.483 43.26633 41.64844 
1 1 1   13   29   10 o  237.351   28.428   19.902   3.5938   15.674   5.4703   23.112   4.7668  205.261   47.648  269.441   31.022 -64.18048 56.85698 
1 1 1   13   29   12 o   98.462   29.187   1.7746   3.1250 -14.4591   8.2696   4.4790   3.3753   83.373   41.694  113.552   40.855 -30.17881 58.37417 
1 1 1   13   29   14 o  103.508   29.333   3.1517   3.1412 -11.3505   7.9661   5.8218   3.4181   83.606   41.671  123.411   41.294 -39.80568 58.66569 
1 1 1   13   29   16 o  190.928   41.435   14.356   4.3821   0.0000   0.0000   14.356   4.3821  ?   ?   190.928   41.435      ?      ? 
1 1 1   13   29   18 o  106.222   31.211   5.2675   3.1326  -0.4879   9.3730   5.9912   3.3237   95.939   47.354  116.505   40.670 -20.56627 62.42212 
1 1 1   13   30    1 o  213.638   39.433   17.757   4.7934   18.395   7.6010   17.335   6.1764  211.495   60.157  215.780   50.999 -4.284988 78.86564 
1 1 1   13   30    3 o  169.145   32.332   9.8462   3.1933   13.873   5.1090   7.2646   4.0909  195.955   46.430  142.335   45.007 53.62000 64.66315 
1 1 1   13   30    5 o   98.555   29.343   1.5373   2.8926   3.3821   4.0430  -0.3973   4.1403  109.337   43.421   87.773   39.481 21.56491 58.68653 
1 1 1   13   30    7 o  113.946   30.718   4.1419   2.8239   2.8182   4.1169   5.3180   3.8806  104.831   43.022  123.061   43.857 -18.23024 61.43562 
1 1 1   13   30    9 f  197.309   29.401   13.986   3.2080   16.681   4.6916   11.619   4.3963  218.052   39.168  176.567   43.858 41.48441 58.80159 
1 1 1   13   30   11 o  193.939   39.239   14.625   3.8885   22.398   8.8040   12.741   4.3342  203.609   66.193  184.268   42.158 19.34119 78.47794 
1 1 1   13   30   13 o  100.786   32.052   2.3045   3.0686   3.1188   7.9143   2.1604   3.3290  110.748   51.552   90.825   38.100 19.92292 64.10307 
1 1 1   13   30   15 o   72.700   33.901  -0.8949   3.4467   0.0000   0.0000  -0.8949   3.4467  ?   ?    72.700   33.901      ?      ? 
1 1 1   13   30   17 o  129.737   33.386   10.700   3.9457   3.4441   9.6418   12.160   4.3243   99.763   49.004  159.712   45.356 -59.94868 66.77273 
1 1 1   13   30   19 o   81.375   27.031   1.6076   3.0570  -7.2850   9.1380   2.7283   3.2439   78.686   39.896   84.064   36.484 -5.377899 54.06227 
1 1 1   13   31    0 o   85.020   34.472   3.4063   3.7529   3.4063   3.7529   3.4063   3.7529   85.020   48.751   85.020   48.751 -0.000000 0.000000 
1 1 1   13   31    2 o  188.428   40.681   15.275   4.6999   16.356   7.6101   14.609   5.9757  187.854   61.564  189.003   53.193 -1.148865 81.36135 
1 1 1   13   31    4 f  151.643   31.277   8.4033   3.0094   12.323   4.5132   5.2651   4.0382  182.203   43.944  121.082   44.519 61.12144 62.55398 
1 1 1   13   31    6 o   97.177   28.603   2.2416   2.6809   0.6633   4.1344   3.3868   3.5217   90.387   40.135  103.968   40.765 -13.58140 57.20649 
1 1 1   13   31    8 o  178.786   31.409   12.434   3.1887   12.101   4.6275   12.736   4.4002  174.570   45.880  183.002   42.907 -8.431808 62.81742 
1 1 1   13   31   10 o   84.737   28.548  -0.9327   3.0365  -3.5220   7.5520  -0.4334   3.3164   93.700   45.436   75.774   34.577 17.92622 57.09607 
1 1 1   13   31   12 o  131.879   25.599   2.9229   2.6885   16.281   4.6537  -3.7687   3.2937  202.583   41.672   61.176   29.743 141.4069 51.19729 
1 1 1   13   31   14 o   68.913   32.807  -1.7768   3.5426   0.0000   0.0000  -1.7768   3.5426  ?   ?    68.913   32.807      ?      ? 
1 1 1   13   31   16 o  108.309   43.417   6.1224   4.0802   0.0000   0.0000   6.1224   4.0802  ?   ?   108.309   43.417      ?      ? 
1 1 1   13   32    1 o  140.672   32.223   8.0155   2.9663   7.4264   4.4469   8.4877   3.9816  134.599   47.040  146.745   44.052 -12.14580 64.44598 
1 1 1   13   32    3 o  214.625   40.811   21.906   5.1668   19.899   8.1257   23.269   6.6943  192.663   63.639  236.587   51.109 -43.92398 81.62143 
1 1 1   13   32    5 o   73.910   24.454  -1.6365   2.5308  -0.7747   3.8918  -2.2679   3.3314   79.692   36.766   68.129   32.253 11.56259 48.90793 
1 1 1   13   32    7 o  100.900   29.158   3.3951   2.6964   2.2984   4.1537   4.1939   3.5447   95.431   41.351  106.369   41.121 -10.93730 58.31609 
1 1 1   13   32    9 o  127.932   31.668   7.0720   2.9256   9.4824   4.3065   5.0062   3.9867  145.566   46.193  110.297   43.333 35.26926 63.33687 
1 1 1   13   32   11 o  101.441   32.156   3.6529   3.3091   4.9038   7.9308   3.3892   3.6412  106.851   50.333   96.032   40.031 10.81888 64.31142 
1 1 1   13   32   13 o   77.494   38.947  -8.2835   7.6619   0.0000   0.0000  -8.2835   7.6619  ?   ?    77.494   38.947      ?      ? 
1 1 1   13   32   15 o   89.484   38.203   3.4637   3.4471   0.0000   0.0000   3.4637   3.4471  ?   ?    89.484   38.203      ?      ? 
1 1 1   13   33    0 o  260.689   26.652   23.079   5.2628   23.079   5.2628   23.079   5.2628  260.689   37.691  260.689   37.691 0.000000 0.000000 
1 1 1   13   33    2 o   86.993   26.883   0.9783   2.7095  -2.2475   4.0948   3.4908   3.6137   74.137   35.288   99.849   40.565 -25.71233 53.76542 
1 1 1   13   33    4 o   99.104   32.286   0.3984   3.9977   7.7260   6.8501  -3.3865   4.9231  121.622   52.900   76.587   37.028 45.03518 64.57156 
1 1 1   13   33    6 o  134.806   32.510   8.7557   3.0688   9.2559   3.6392   7.5246   5.7095  149.092   41.354  120.520   50.174 28.57214 65.01958 
1 1 1   13   33    8 o   73.181   24.350  -1.1398   2.6407  -2.5503   3.8328   0.1347   3.6434   68.819   33.122   77.544   35.702 -8.725716 48.69972 
1 1 1   13   33   10 o   96.632   30.987   3.7700   3.5965   1.6358   7.7041   4.3648   4.0668   94.059   45.674   99.205   41.889 -5.145676 61.97423 
1 1 1   13   33   12 o   65.098   32.108  -4.1186   4.2807   0.0000   0.0000  -4.1186   4.2807  ?   ?    65.098   32.108      ?      ? 
1 1 1   13   34    1 o  107.739   30.221   4.7450   3.0325   1.0967   4.2850   8.4058   4.2923   85.143   39.022  130.334   46.159 -45.19066 60.44282 
1 1 1   13   34    3 o   92.431   28.215   2.9155   2.7719   1.4960   4.1901   4.0200   3.6963   86.000   39.097   98.861   40.691 -12.86071 56.42981 
1 1 1   13   34    5 o  108.003   34.551   6.1508   4.4155   9.6056   7.1903   4.0593   5.5946  117.329   52.457   98.677   44.982 18.65178 69.10208 
1 1 1   13   34    7 o   98.792   32.247   4.5740   4.4530   0.5840   7.4339   6.8068   5.5611   89.865   43.909  107.719   47.238 -17.85358 64.49389 
1 1 1   13   34    9 o  107.755   33.808   6.2513   3.4519   13.777   7.9158   4.4843   3.8358  119.215   54.017   96.296   40.672 22.91882 67.61651 
1 1 1   13   34   11 o   91.984   41.614   4.5397   4.6772   0.0000   0.0000   4.5397   4.6772  ?   ?    91.984   41.614      ?      ? 
1 1 1   13   35    0 o  267.116   27.489   26.000   5.5560   26.000   5.5560   26.000   5.5560  267.116   38.875  267.116   38.875 0.000000 0.000000 
1 1 1   13   35    2 o   82.067   26.746   1.5692   2.9047   1.8420   4.0763   1.2878   4.1401   83.125   38.083   81.009   37.565 2.116570 53.49236 
1 1 1   13   35    4 o   82.649   26.658   1.9267   2.7602   2.8657   4.1729   1.1963   3.6804   87.165   39.382   78.133   35.940 9.031212 53.31581 
1 1 1   13   35    6 o  100.927   30.006   5.6419   2.9079   6.7687   4.4165   4.7795   3.8636  105.827   44.099   96.027   40.703 9.799995 60.01174 
1 1 1   14    0    2 o  431.153   9.8232   53.208   3.4078   53.208   3.4078   53.208   3.4078  431.153   13.892  431.153   13.892 -0.000000 0.000000 
1 1 1   14    0    4 f  239.196   12.848   16.613   2.4456   16.613   2.4456   16.613   2.4456  239.196   18.169  239.196   18.169 -0.000000 0.000000 
1 1 1   14    0    6 o  230.129   26.876   16.345   4.5791   16.345   4.5791   16.345   4.5791  230.129   38.008  230.129   38.008 0.000000 0.000000 
1 1 1   14    0    8 o  215.756   19.219   13.922   3.2001   13.922   3.2001   13.922   3.2001  215.756   27.180  215.756   27.180 -0.000000 0.000000 
1 1 1   14    0   10 o  534.605   17.937   82.209   7.6940   82.209   7.6940   82.209   7.6940  534.605   25.367  534.605   25.367 -0.000000 0.000000 
1 1 1   14    0   14 o  408.359   19.099   48.309   6.2269   48.309   6.2269   48.309   6.2269  408.359   27.010  408.359   27.010 0.000000 0.000000 
1 1 1   14    0   16 o  793.262   18.014  180.583   11.498  180.583   11.498  180.583   11.498  793.262   25.476  793.262   25.476 0.000000 0.000000 
1 1 1   14    0   18 o  569.754   14.998   93.229   6.8700   93.229   6.8700   93.229   6.8700  569.754   21.210  569.754   21.210 0.000000 0.000000 
1 1 1   14    0   20 o  474.174   23.371   65.667   8.8381   65.667   8.8381   65.667   8.8381  474.174   33.052  474.174   33.052 0.000000 0.000000 
1 1 1   14    0   22 o  132.080   43.558   7.5554   5.1666   7.5554   5.1666   7.5554   5.1666  132.080   61.600  132.080   61.600 -0.000000 0.000000 
1 1 1   14    0   24 o  503.629   13.371   73.127   5.4137   73.127   5.4137   73.127   5.4137  503.629   18.910  503.629   18.910 0.000000 0.000000 
1 1 1   14    0   26 o  257.530   20.523   20.057   4.1233   20.057   4.1233   20.057   4.1233  257.530   29.024  257.530   29.024 0.000000 0.000000 
1 1 1   14    0   28 o   68.400   31.838  -0.1498   4.4705  -0.1498   4.4705  -0.1498   4.4705   68.400   45.025   68.400   45.025 -0.000000 0.000000 
1 1 1   14    0   30 o   62.825   27.808   1.0732   2.9057   1.0732   2.9057   1.0732   2.9057   62.825   39.327   62.825   39.327 -0.000000 0.000000 
1 1 1   14    0   32 o  192.725   22.665   12.342   3.2299   12.342   3.2299   12.342   3.2299  192.725   32.053  192.725   32.053 0.000000 0.000000 
1 1 1   14    0   34 o   74.066   31.468   3.0982   3.3892   3.0982   3.3892   3.0982   3.3892   74.066   44.503   74.066   44.503 -0.000000 0.000000 
1 1 1   14    1    1 o  1761.06   34.033  891.717   34.180  891.717   34.180   0.0000   0.0000  1761.06   34.033  ?   ?       ?      ? 
1 1 1   14    1    3 o  348.430   10.143   34.718   2.0108   37.480   2.8457   31.964   2.8418  362.310   13.772  334.549   14.895 27.76013 20.28662 
1 1 1   14    1    5 o  107.366   26.636   2.7256   1.8259   2.4477   2.1212   3.5205   3.5879   95.947   32.527  118.785   42.187 -22.83864 53.27109 
1 1 1   14    1    7 o  1529.66   16.795  669.614   14.651  670.391   20.723  668.836   20.717  1530.55   23.741  1528.76   23.762 1.781006 33.59025 
1 1 1   14    1    9 o  605.680   11.247  104.742   3.7719  104.888   6.1174  104.653   4.7911  605.906   17.704  605.454   13.876 0.4513550 22.49369 
1 1 1   14    1   11 o  1644.53   18.502  776.101   17.162  784.922   22.729  764.401   26.177  1655.99   24.067  1633.07   28.107 22.91565 37.00331 
1 1 1   14    1   15 o  1085.20   17.109  337.646   10.582  323.054   14.910  352.454   15.020  1061.46   24.631  1108.93   23.751 -47.46362 34.21726 
1 1 1   14    1   17 o  191.288   32.467   10.330   3.1561   12.840   6.2709   9.4789   3.6525  204.943   53.191  177.634   37.245 27.30894 64.93443 
1 1 1   14    1   19 o  679.399   14.010  132.116   5.3779  130.356   7.1154  134.460   8.2134  674.392   18.501  684.407   21.043 -10.01538 28.01965 
1 1 1   14    1   21 o  386.154   21.422   40.418   4.2884   50.506   8.3117   36.759   5.0062  415.525   35.075  356.782   24.605 58.74365 42.84452 
1 1 1   14    1   23 o  292.900   28.147   27.196   3.6113   23.760   7.7393   28.153   4.0830  274.127   51.394  311.673   22.971 -37.54614 56.29397 
1 1 1   14    1   25 o  257.037   21.611   19.968   3.0331   13.376   4.2091   27.090   4.3748  210.465   35.068  303.609   25.267 -93.14429 43.22238 
1 1 1   14    1   27 o  154.200   28.115   7.8316   2.5286   9.5731   3.5672   6.0730   3.5848  172.159   37.403  136.240   41.985 35.91853 56.22934 
1 1 1   14    1   29 o   88.084   29.750  -2.4554   2.9764  -2.5542   3.2498  -1.9415   7.4139   68.950   32.399  107.218   49.905 -38.26867 59.49901 
1 1 1   14    1   31 o  114.413   29.042   4.7583   2.4085   4.9362   3.2097   4.5291   3.6438  116.311   40.003  112.515   42.112 3.795586 58.08327 
1 1 1   14    1   33 o   78.196   24.557   0.6702   2.2456   2.1817   3.1535  -0.8847   3.1984   86.518   36.728   69.874   32.608 16.64352 49.11461 
1 1 1   14    1   35 o   87.694   26.066   2.6782   2.4009  -0.5103   3.2628   6.4435   3.5457   67.038   31.789  108.349   41.318 -41.31154 52.13166 
1 1 1   14    2    0 f  1201.66   15.986  412.934   15.481  412.934   15.481  412.934   15.481  1201.66   22.608  1201.66   22.608 -0.000000 0.000000 
1 1 1   14    2    2 o  210.110   32.514   12.683   3.8959   12.683   3.8959   0.0000   0.0000  210.110   32.514  ?   ?       ?      ? 
1 1 1   14    2    4 o  922.612   19.776  246.366   9.7351  250.869   11.896  237.234   16.939  936.395   22.276  908.829   32.683 27.56567 39.55245 
1 1 1   14    2    6 o  1994.60   21.706  1144.13   23.253  1133.27   40.238  1149.58   28.493  1985.39   35.539  2003.81   24.934 -18.41797 43.41283 
1 1 1   14    2    8 o  961.084   16.359  264.308   8.9636  256.698   12.661  271.956   12.692  947.169   23.440  974.999   22.826 -27.83044 32.71769 
1 1 1   14    2   10 o  543.052   12.513   84.520   3.8504   86.800   5.2012   81.755   5.7274  551.248   16.545  534.856   18.777 16.39270 25.02612 
1 1 1   14    2   14 o  898.341   18.316  228.129   9.1615  217.143   11.629  246.101   14.874  870.686   23.421  925.996   28.166 -55.30963 36.63163 
1 1 1   14    2   16 o  214.430   30.838   12.812   3.4922   10.488   4.2504   17.639   6.1262  186.610   41.054  242.250   46.027 -55.64040 61.67612 
1 1 1   14    2   18 o  557.618   12.333   89.002   3.9210   86.565   5.4922   91.536   5.5995  549.824   17.516  565.411   17.366 -15.58698 24.66519 
1 1 1   14    2   20 o  374.269   14.637   41.107   3.0013   43.696   3.8250   36.960   4.8411  390.386   17.181  358.152   23.702 32.23410 29.27395 
1 1 1   14    2   22 f  118.982   28.421   3.9183   2.2672   4.3784   3.5039   3.5868   2.9736  124.371   41.808  113.594   38.512 10.77734 56.84265 
1 1 1   14    2   24 o  443.224   20.561   57.404   4.5017   58.831   9.0018   56.928   5.1984  443.305   35.607  443.144   20.570 0.1606750 41.12145 
1 1 1   14    2   26 o  217.962   33.557   15.155   3.4205   16.390   7.5978   14.841   3.8307  213.738   59.919  222.186   30.232 -8.448608 67.11376 
1 1 1   14    2   28 o  168.786   37.715   10.940   4.2589   13.006   5.2392   6.9160   7.3124  192.013   47.981  145.559   58.203 46.45364 75.43088 
1 1 1   14    2   30 o   70.058   22.744  -1.5503   2.0713   0.0626   3.1350  -2.7998   2.7594   79.514   35.145   60.602   28.879 18.91141 45.48808 
1 1 1   14    2   32 o  152.598   27.994   8.7058   2.4827   6.3439   3.2303   12.115   3.8807  126.645   39.988  178.551   39.186 -51.90639 55.98737 
1 1 1   14    2   34 o   93.725   27.077   3.5860   2.2821   2.6189   3.0194   4.8745   3.4852   85.509   36.099  101.941   40.368 -16.43238 54.15417 
1 1 1   14    3    1 o  531.630   14.818   81.001   4.4090   81.700   5.7245   79.981   6.9130  534.618   18.776  528.642   22.930 5.976257 29.63673 
1 1 1   14    3    3 o  1128.97   22.666  364.716   14.593  364.716   14.593   0.0000   0.0000  1128.97   22.666  ?   ?       ?      ? 
1 1 1   14    3    5 o  719.263   19.570  148.893   7.4267  149.935   8.9608  146.608   13.273  724.000   21.703  714.525   32.573 9.475769 39.14093 
1 1 1   14    3    7 o  1460.22   25.235  611.054   18.713  616.977   35.886  608.841   21.931  1462.41   43.029  1458.03   26.376 4.386841 50.46964 
1 1 1   14    3    9 o  1686.03   17.023  813.534   16.366  813.812   22.972  813.248   23.321  1686.37   23.887  1685.69   24.259 0.6785889 34.04506 
1 1 1   14    3   11 o  2201.11   25.966  1393.99   32.589  1423.37   46.151  1364.78   46.025  2224.42   36.381  2177.79   37.058 46.62280 51.93129 
1 1 1   14    3   15 o  707.333   18.058  143.656   7.2766  150.825   10.272  136.434   10.310  725.179   24.838  689.487   26.220 35.69177 36.11623 
1 1 1   14    3   17 o  312.403   18.512   27.812   3.2821   25.435   4.3877   30.832   4.9453  297.417   25.869  327.389   26.487 -29.97290 37.02384 
1 1 1   14    3   19 o  461.493   18.319   61.605   4.6971   62.466   6.0253   60.272   7.4993  466.180   22.664  456.807   28.787 9.373047 36.63783 
1 1 1   14    3   21 o  113.087   26.650   3.4687   2.2456   5.5051   2.7917  -0.2642   3.7798  134.721   35.746   91.453   39.536 43.26847 53.29982 
1 1 1   14    3   23 o  187.426   25.652   11.124   2.6230   13.833   3.5180   7.7325   3.9362  217.449   28.369  157.403   42.746 60.04642 51.30326 
1 1 1   14    3   25 o  423.066   14.499   52.250   3.4864   47.961   4.9715   56.401   4.8905  405.504   21.498  440.628   19.462 -35.12396 28.99879 
1 1 1   14    3   27 o  158.724   28.189   9.0329   3.1556   0.4490   5.2626   13.852   3.9432  105.100   46.025  212.348   32.562 -107.2472 56.37842 
1 1 1   14    3   29 o  105.289   31.948   1.2395   3.2761  -0.3172   4.0144   4.3437   5.6687   87.546   39.165  123.032   50.487 -35.48605 63.89674 
1 1 1   14    3   31 o   92.943   25.729   2.4637   2.0351   3.5292   2.8092   1.2868   2.9524  102.027   37.189   83.860   35.565 18.16663 51.45767 
1 1 1   14    3   33 o   72.040   22.848   0.3692   1.9478   0.0580   2.8454   0.6436   2.6719   71.062   32.272   73.018   32.351 -1.956108 45.69529 
1 1 1   14    4    0 o   70.902   29.133   1.7445   2.7366   1.7445   2.7366   1.7445   2.7366   70.902   41.201   70.902   41.201 -0.000000 0.000000 
1 1 1   14    4    2 o  635.002   13.873  117.736   4.5720  121.449   5.4831  109.263   8.2823  652.146   14.743  617.859   23.505 34.28735 27.74639 
1 1 1   14    4    6 o  790.672   20.137  180.862   8.5402  184.268   10.490  174.165   14.708  802.537   22.919  778.807   33.116 23.72943 40.27345 
1 1 1   14    4    8 o  1162.93   18.789  381.933   10.860  376.439   12.541  398.418   21.721  1147.67   19.161  1178.19   32.327 -30.52869 37.57848 
1 1 1   14    4   10 o  1048.14   15.285  315.577   8.8731  320.100   11.320  308.370   14.289  1058.31   18.756  1037.96   24.139 20.35291 30.56966 
1 1 1   14    4   14 o  609.784   17.226  108.138   5.6927  111.896   7.0987  101.368   9.5290  625.362   19.905  594.207   28.120 31.15503 34.45195 
1 1 1   14    4   16 o  413.327   19.331   48.288   4.1329   47.181   4.8783   51.101   7.7789  405.773   21.081  420.882   32.409 -15.10867 38.66196 
1 1 1   14    4   18 o  315.829   18.591   28.828   3.3177   29.574   4.4364   27.882   4.9973  320.709   24.256  310.949   28.181 9.760223 37.18230 
1 1 1   14    4   20 o  618.349   15.019  109.574   5.2843  100.152   7.2454  120.282   7.7239  589.982   21.534  646.715   20.943 -56.73328 30.03864 
1 1 1   14    4   22 o  238.855   20.651   16.322   2.7769   13.165   3.6781   20.507   4.2349  212.281   30.382  265.429   27.977 -53.14789 41.30121 
1 1 1   14    4   24 o  428.250   16.304   52.878   3.9274   56.839   6.1653   50.173   5.0949  440.999   24.514  415.502   21.501 25.49664 32.60777 
1 1 1   14    4   26 o  183.587   26.458   10.669   2.6641   9.9768   3.5673   11.543   4.0061  177.167   36.521  190.007   38.294 -12.83942 52.91694 
1 1 1   14    4   28 o  225.243   62.516   20.337   8.3141   0.0000   0.0000   20.337   8.3141  ?   ?   225.243   62.516      ?      ? 
1 1 1   14    4   30 o   71.846   23.748  -2.2865   2.2984  -3.4472   2.8807  -0.2531   3.8128   59.595   28.690   84.098   37.852 -24.50368 47.49662 
1 1 1   14    4   32 o  109.618   28.410   4.7128   2.3229   4.5579   3.4482   4.8415   3.1432  108.068   40.857  111.168   39.486 -3.099922 56.81952 
1 1 1   14    4   34 o   92.812   23.025   1.7341   2.1747  -5.1989   3.2224   7.5322   2.9469   53.876   26.796  131.749   37.451 -77.87286 46.05022 
1 1 1   14    5    1 o  1201.05   15.995  412.738   10.955  406.401   15.460  419.129   15.526  1191.76   22.747  1210.33   22.493 -18.56543 31.99050 
1 1 1   14    5    3 o  575.871   16.120   94.841   5.2924   92.999   7.3747   96.797   7.5995  570.119   22.682  581.623   22.911 -11.50397 32.23978 
1 1 1   14    5    5 o  707.331   19.748  143.020   7.9658  143.020   7.9658   0.0000   0.0000  707.331   19.748  ?   ?       ?      ? 
1 1 1   14    5    7 o  1752.97   21.127  887.239   19.811  899.120   24.235  863.305   34.396  1772.53   23.975  1733.41   34.795 39.11670 42.25458 
1 1 1   14    5    9 o  1898.66   20.403  1039.18   19.026  1044.88   21.947  1021.94   38.168  1911.78   20.130  1885.54   35.495 26.24646 40.80602 
1 1 1   14    5   11 o  1709.88   20.877  834.508   19.107  826.629   23.252  850.890   33.527  1699.26   23.995  1720.50   34.170 -21.24207 41.75341 
1 1 1   14    5   13 o  584.305   22.342   97.960   6.7351   98.548   12.576   97.724   7.9751  584.537   37.727  584.072   23.943 0.4644165 44.68310 
1 1 1   14    5   15 o  274.177   19.078   21.916   2.9303   23.860   3.9129   19.434   4.4219  288.449   23.787  259.905   29.833 28.54431 38.15541 
1 1 1   14    5   17 o  377.154   13.664   40.183   2.6641   39.414   3.1455   42.133   5.0107  371.245   14.857  383.062   22.937 -11.81738 27.32817 
1 1 1   14    5   19 o  670.583   12.284  128.740   4.6949  134.120   6.7673  123.747   6.5190  684.081   17.347  657.086   17.397 26.99548 24.56716 
1 1 1   14    5   21 o  433.094   14.699   53.941   3.6256   52.870   4.9790   55.151   5.2897  428.603   20.370  437.585   21.197 -8.981995 29.39835 
1 1 1   14    5   23 o  352.640   17.234   36.983   3.3702   32.008   5.1924   40.606   4.4302  330.706   27.531  374.573   20.739 -43.86725 34.46889 
1 1 1   14    5   25 o  214.083   24.227   14.020   2.7468   8.3842   3.6893   21.030   4.1146  161.713   40.182  266.454   27.078 -104.7410 48.45386 
1 1 1   14    5   27 o  147.695   28.267   7.0475   2.7986   2.1139   3.9797   11.874   3.9363  103.822   42.418  191.568   37.373 -87.74545 56.53334 
1 1 1   14    5   29 o  135.669   54.566   6.4668   6.4679   0.0000   0.0000   6.4668   6.4679  ?   ?   135.669   54.566      ?      ? 
1 1 1   14    5   31 o  169.060   33.928   12.090   3.4678   10.586   5.1306   13.355   4.7055  154.805   50.540  183.314   45.277 -28.50955 67.85551 
1 1 1   14    5   33 o   63.724   21.354  -1.6080   2.0739  -0.9392   3.0056  -2.2159   2.8654   67.078   31.403   60.370   28.946 6.708420 42.70881 
1 1 1   14    6    0 o  876.646   15.784  219.921   11.143  219.921   11.143  219.921   11.143  876.646   22.321  876.646   22.321 -0.000000 0.000000 
1 1 1   14    6    2 o  1073.46   19.597  333.350   11.273  339.635   13.834  320.927   19.450  1089.61   22.263  1057.31   32.258 32.30835 39.19450 
1 1 1   14    6    4 o  446.513   25.292   57.452   6.4215   55.094   9.3235   59.580   8.8572  437.611   37.359  455.414   34.103 -17.80347 50.58429 
1 1 1   14    6    6 o  950.573   18.636  261.774   8.5872  264.541   9.8575  253.068   17.487  962.218   17.964  938.929   32.658 23.28912 37.27286 
1 1 1   14    6    8 o  1296.36   19.352  484.495   12.594  487.895   14.698  475.102   24.427  1306.45   19.727  1286.27   33.300 20.18433 38.70449 
1 1 1   14    6   10 o  354.265   16.424   34.945   3.2686   41.898   5.1981   30.398   4.2038  382.590   23.824  325.940   22.616 56.64993 32.84894 
1 1 1   14    6   12 o  434.529   19.437   54.436   4.5333   53.301   7.8312   55.008   5.5595  430.672   31.885  438.385   22.237 -7.713013 38.87367 
1 1 1   14    6   14 o  565.273   15.383   93.357   4.4393   95.786   5.2590   87.336   8.2803  578.901   15.930  551.644   26.321 27.25598 30.76566 
1 1 1   14    6   16 f  515.423   18.574   75.616   5.2935   79.507   8.7107   73.338   6.6655  525.344   29.075  505.502   23.121 19.84195 37.14760 
1 1 1   14    6   18 o  567.179   15.695   92.428   5.0745   93.112   7.0877   91.709   7.2684  569.400   21.827  564.957   22.559 4.443237 31.39039 
1 1 1   14    6   20 o  244.626   21.322   17.067   2.9398   13.924   3.8958   21.224   4.4801  218.778   31.225  270.474   29.045 -51.69562 42.64470 
1 1 1   14    6   22 o  684.198   14.373  134.518   5.5232  131.772   7.1788  138.501   8.6465  676.346   18.612  692.050   21.908 -15.70325 28.74674 
1 1 1   14    6   24 o  338.624   21.504   35.160   3.9919   39.782   5.2313   28.717   6.1766  368.382   24.901  308.865   35.066 59.51639 43.00827 
1 1 1   14    6   26 o   86.776   26.299  -0.0105   2.2696  -1.1030   2.8475   1.8930   3.7585   72.110   32.560  101.441   41.308 -29.33118 52.59762 
1 1 1   14    6   28 o  105.650   32.514   1.0127   3.3588   0.0913   3.9987   3.2201   6.1896   90.246   39.800  121.054   51.425 -30.80824 65.02745 
1 1 1   14    6   30 o  108.026   27.386   3.7942   2.1377   5.1576   3.3096   2.8182   2.8001  119.625   40.630   96.428   36.731 23.19711 54.77160 
1 1 1   14    6   32 o  135.685   30.142   8.4619   3.5635   13.916   4.4493  -1.2954   5.9511  183.510   43.227   87.860   42.018 95.65029 60.28314 
1 1 1   14    6   34 o   68.916   22.935  -1.1576   2.3664  -3.8411   3.2306   1.9490   3.4760   56.935   28.045   80.897   36.299 -23.96220 45.87081 
1 1 1   14    7    1 o  169.385   25.960   8.0956   2.5084   12.130   3.8639   5.1565   3.2977  205.539   32.964  133.231   40.112 72.30743 51.91928 
1 1 1   14    7    3 o  864.758   31.940  214.608   15.751   0.0000   0.0000  214.608   15.751  ?   ?   864.758   31.940      ?      ? 
1 1 1   14    7    5 o  362.896   26.105   37.713   5.4025   37.713   5.4025   0.0000   0.0000  362.896   26.105  ?   ?       ?      ? 
1 1 1   14    7    7 o  759.675   18.277  163.018   6.4448  161.429   7.2333  169.139   14.195  751.737   16.872  767.612   32.426 -15.87506 36.55336 
1 1 1   14    7    9 o  566.167   21.357   92.216   6.2689   92.582   7.4590   91.335   11.568  568.807   22.995  563.526   35.996 5.280701 42.71377 
1 1 1   14    7   11 o  782.936   20.405  175.316   8.4231  174.417   10.127  177.335   15.174  780.601   22.748  785.271   33.882 -4.670471 40.81043 
1 1 1   14    7   13 o  182.249   27.315   9.5336   2.8389   9.5336   2.8389   0.0000   0.0000  182.249   27.315  ?   ?       ?      ? 
1 1 1   14    7   15 o  530.601   16.722   81.484   4.4842   82.319   5.2583   79.257   8.5860  536.411   17.189  524.790   28.689 11.62085 33.44415 
1 1 1   14    7   17 o  399.273   16.362   45.552   3.7152   41.561   5.0528   50.250   5.4815  380.318   23.297  418.229   22.982 -37.91101 32.72469 
1 1 1   14    7   19 f  431.070   16.830   53.557   4.1199   53.488   5.5756   53.640   6.1143  430.977   22.685  431.162   24.866 -0.1848755 33.65948 
1 1 1   14    7   21 o  529.025   15.637   81.859   4.6234   74.611   7.0995   87.196   6.0924  507.678   24.521  550.372   19.411 -42.69406 31.27408 
1 1 1   14    7   23 o  178.076   30.611   9.8785   2.9407   9.5783   3.5831   10.498   5.1471  175.717   36.929  180.434   48.831 -4.717148 61.22230 
1 1 1   14    7   25 f  129.992   28.870   5.6155   2.5854   7.4385   3.0827   1.2922   4.7472  153.093   35.927  106.891   45.202 46.20219 57.74057 
1 1 1   14    7   27 o  108.662   31.128   2.6873   2.9287   2.9861   3.6347   2.1341   4.9450  107.160   41.580  110.164   46.335 -3.003723 62.25621 
1 1 1   14    7   29 o  125.255   34.956   3.5379   3.4752   0.8068   4.1003   10.503   6.5480   92.863   40.647  157.647   56.882 -64.78466 69.91213 
1 1 1   14    7   31 o   73.351   23.475  -0.2922   2.0578   0.4393   3.2717  -0.7709   2.6469   79.832   35.561   66.870   30.655 12.96198 46.95010 
1 1 1   14    7   33 o   81.287   28.092  -2.4858   4.4078   0.3553   5.4422  -7.9033   7.5152   85.125   40.563   77.448   38.875 7.677269 56.18412 
1 1 1   14    8    0 o  143.088   34.183   7.5724   3.5291   7.5724   3.5291   7.5724   3.5291  143.088   48.343  143.088   48.343 -0.000000 0.000000 
1 1 1   14    8    2 o  570.021   16.134   92.792   5.2401   98.074   7.5862   87.971   7.2467  585.518   22.719  554.523   22.915 30.99438 32.26871 
1 1 1   14    8    4 o  427.186   25.257   52.801   6.1112   57.495   8.4427   47.636   8.8573  447.502   33.082  406.871   38.172 40.63019 50.51302 
1 1 1   14    8    6 o  1323.04   22.651  502.391   17.090  497.883   24.142  506.919   24.196  1317.06   32.143  1329.02   31.925 -11.95715 45.30277 
1 1 1   14    8    8 o  336.597   22.818   33.080   3.2163   33.349   3.5192   31.716   7.9248  341.618   18.064  331.575   41.910 10.04337 45.63681 
1 1 1   14    8   10 o  133.919   32.216   4.9475   2.4513   5.4515   2.6367   1.7379   6.6540  135.102   34.192  132.736   54.610 2.365433 64.43151 
1 1 1   14    8   12 o  1081.84   22.640  335.184   13.968  335.184   13.968   0.0000   0.0000  1081.84   22.640  ?   ?       ?      ? 
1 1 1   14    8   14 o  381.298   27.356   45.618   4.5899   47.981   5.1542   36.564   10.089  409.153   22.089  353.444   50.055 55.70886 54.71258 
1 1 1   14    8   16 o  404.534   21.656   49.679   4.4953   53.473   5.4268   41.383   8.0245  431.632   22.046  377.436   37.280 54.19626 43.31123 
1 1 1   14    8   18 o  1149.34   16.361  378.797   10.432  385.942   16.899  374.398   13.260  1156.88   25.614  1141.80   20.364 15.08337 32.72272 
1 1 1   14    8   20 o  771.491   16.085  174.831   6.7382  160.802   11.162  182.875   8.4521  745.219   26.263  797.762   18.578 -52.54309 32.16998 
1 1 1   14    8   22 o  620.181   19.587  117.133   6.1645  101.838   11.321  123.580   7.3498  586.328   33.856  654.035   19.705 -67.70673 39.17303 
1 1 1   14    8   24 o  266.866   26.011   23.426   3.5268   28.039   4.5392   16.399   5.6021  308.399   25.809  225.334   45.167 83.06531 52.02130 
1 1 1   14    8   26 o   86.505   26.271   0.2604   2.3946   1.7298   2.9576  -2.5352   4.0796   92.616   37.022   80.394   37.283 12.22182 52.54206 
1 1 1   14    8   28 o  172.195   34.611   8.6146   3.7413   3.4582   4.5030   20.108   6.7230  112.914   45.489  231.476   52.177 -118.5618 69.22161 
1 1 1   14    8   30 o  107.445   26.860   3.1567   2.3135   7.1912   3.4923   0.0013   3.0885  137.786   41.232   77.104   34.433 60.68188 53.71920 
1 1 1   14    8   32 o   85.919   25.058   1.8544   2.1219  -0.3348   2.9971   4.0546   3.0046   70.676   32.481  101.161   38.164 -30.48464 50.11521 
1 1 1   14    8   34 f   86.959   28.065   2.7897   3.2978  -1.1383   4.9468   5.9319   4.4245   74.093   36.118   99.824   42.965 -25.73128 56.12976 
1 1 1   14    9    1 o  1360.95   16.185  529.878   12.561  528.114   17.779  531.637   17.750  1358.68   22.946  1363.23   22.831 -4.547363 32.36934 
1 1 1   14    9    3 f  1102.82   22.530  349.000   14.167  357.840   20.112  340.293   19.959  1116.74   31.580  1088.90   32.141 27.84607 45.05930 
1 1 1   14    9    5 o  426.347   17.138   52.018   4.1666   51.358   5.8465   52.700   5.9397  423.601   24.202  429.094   24.273 -5.492676 34.27647 
1 1 1   14    9    7 o  719.549   21.777  148.451   8.9126  134.122   12.403  163.751   12.816  683.522   31.818  755.577   29.743 -72.05444 43.55494 
1 1 1   14    9    9 o  542.227   20.787   83.943   5.9097   83.303   7.0696   85.428   10.768  539.469   22.979  544.984   34.645 -5.515198 41.57323 
1 1 1   14    9   11 o  916.070   19.543  243.020   8.6623  245.034   9.9311  236.615   17.712  925.636   18.813  906.503   34.261 19.13336 39.08688 
1 1 1   14    9   13 o  455.576   43.772   60.326   11.372   60.326   11.372   0.0000   0.0000  455.576   43.772  ?   ?       ?      ? 
1 1 1   14    9   15 o  1008.20   19.825  293.404   10.994  295.137   13.857  290.459   18.061  1013.60   23.972  1002.80   31.581 10.79559 39.64911 
1 1 1   14    9   17 o  363.681   34.702   39.071   6.6899   38.954   8.0981   39.323   11.872  365.295   38.873  362.066   57.496 3.228729 69.40343 
1 1 1   14    9   19 o  393.651   33.841   48.623   6.4125   41.660   12.625   51.044   7.4443  368.469   60.079  418.832   31.167 -50.36273 67.68211 
1 1 1   14    9   21 o  330.835   27.269   34.790   4.1503   28.652   8.6007   36.653   4.7384  306.040   49.279  355.630   23.364 -49.58963 54.53722 
1 1 1   14    9   23 o  324.104   30.142   35.270   4.4129   27.465   8.6914   37.981   5.1223  288.250   54.876  359.957   24.953 -71.70682 60.28312 
1 1 1   14    9   25 o  116.823   32.781   0.6365   3.6148   7.6824   5.6579  -4.2236   4.6990  152.132   53.065   81.514   38.503 70.61826 65.56252 
1 1 1   14    9   27 f  108.922   31.269   1.4093   2.3348   0.3695   2.5463   6.9006   5.8516   76.496   32.751  141.348   53.276 -64.85161 62.53743 
1 1 1   14    9   29 o  122.312   32.772   5.6379   3.1258   6.8169   3.2797  -6.0493   10.326  137.538   39.642  107.086   52.197 30.45168 65.54428 
1 1 1   14    9   31 o   95.141   25.128   3.0261   1.9617   1.1465   2.8982   4.6154   2.6650   79.999   34.602  110.282   36.446 -30.28300 50.25530 
1 1 1   14    9   33 o   88.673   25.321   3.1121   2.0375   1.9491   3.0584   4.0403   2.7321   80.583   35.192   96.763   36.417 -16.17928 50.64259 
1 1 1   14   10    0 o  942.467   15.999  254.127   12.145  254.127   12.145  254.127   12.145  942.467   22.625  942.467   22.625 0.000000 0.000000 
1 1 1   14   10    2 o  1284.31   16.039  471.841   11.743  454.678   16.514  489.394   16.701  1260.63   22.971  1307.98   22.389 -47.35156 32.07714 
1 1 1   14   10    4 o  989.802   22.920  281.392   12.930  270.550   18.299  292.202   18.273  970.619   33.059  1008.99   31.756 -38.36737 45.84069 
1 1 1   14   10    6 o  1035.32   15.747  306.772   9.2861  287.385   13.063  326.577   13.203  1002.15   22.857  1068.49   21.668 -66.34155 31.49483 
1 1 1   14   10    8 o  1280.69   22.251  471.331   16.218  433.418   22.783  510.277   23.091  1228.14   32.529  1333.25   30.370 -105.1093 44.50253 
1 1 1   14   10   10 o  226.606   32.997   13.097   2.9467   12.351   3.1465   18.415   8.4036  207.517   26.587  245.695   60.401 -38.17831 65.99362 
1 1 1   14   10   12 o  462.005   24.728   61.230   6.5153   61.230   6.5153   0.0000   0.0000  462.005   24.728  ?   ?       ?      ? 
1 1 1   14   10   14 o  454.141   26.341   62.491   5.2386   64.133   5.8310   55.617   11.929  472.872   21.622  435.410   48.041 37.46155 52.68232 
1 1 1   14   10   16 o  188.053   44.768   7.8496   5.5973   3.6206   6.7552   17.113   9.9978  141.973   56.207  234.132   69.697 -92.15839 89.53667 
1 1 1   14   10   18 o  265.919   24.734   19.438   3.5763   16.907   4.3385   24.805   6.3170  241.102   31.553  290.737   38.099 -49.63528 49.46882 
1 1 1   14   10   20 o  298.042   27.662   26.701   4.5659   24.783   7.2182   27.980   5.8952  287.436   44.035  308.647   33.492 -21.21021 55.32420 
1 1 1   14   10   22 o  400.640   23.557   49.844   3.9867   44.596   9.4339   50.986   4.3987  381.270   43.388  420.010   18.364 -38.74091 47.11416 
1 1 1   14   10   24 o  198.785   37.420   13.669   4.0020   12.817   7.9656   13.956   4.6285  188.811   63.038  208.759   40.338 -19.94810 74.83957 
1 1 1   14   10   26 o  131.541   40.782   2.2862   4.8365   7.3950   10.590   0.9399   5.4366  155.567   66.703  107.515   46.938 48.05161 81.56323 
1 1 1   14   10   28 o   95.107   45.713  -5.3052   7.2437  -5.3052   7.2437   0.0000   0.0000   95.107   45.713  ?   ?       ?      ? 
1 1 1   14   10   30 o   77.984   23.405   0.2672   2.1591  -9.0088   4.6696   2.7898   2.4351   63.463   31.675   92.505   34.465 -29.04121 46.80972 
1 1 1   14   10   32 o   72.380   20.781  -0.1317   1.7228  -4.8451   2.5883   3.6178   2.3085   48.422   24.072   96.338   33.880 -47.91637 41.56104 
1 1 1   14   11    1 f  316.610   19.165   28.719   3.4601   28.216   4.8720   29.231   4.9149  313.806   27.224  319.414   26.982 -5.608063 38.32955 
1 1 1   14   11    3 o  452.051   23.686   58.887   6.0866   54.540   8.7160   63.023   8.5033  435.556   35.090  468.546   31.823 -32.98962 47.37102 
1 1 1   14   11    5 o  1110.93   16.069  353.190   10.179  345.197   14.364  361.251   14.425  1098.27   22.934  1123.59   22.513 -25.32227 32.13724 
1 1 1   14   11    7 f  849.792   16.157  206.764   7.8274  200.779   11.073  212.741   11.066  837.449   23.186  862.134   22.507 -24.68469 32.31328 
1 1 1   14   11    9 o  672.813   30.915  130.111   11.862  130.111   11.862   0.0000   0.0000  672.813   30.915  ?   ?       ?      ? 
1 1 1   14   11   11 o  591.311   24.467  100.284   8.2508  100.284   8.2508   0.0000   0.0000  591.311   24.467  ?   ?       ?      ? 
1 1 1   14   11   13 o  207.947   21.106   12.397   2.5029   12.397   2.5029   0.0000   0.0000  207.947   21.106  ?   ?       ?      ? 
1 1 1   14   11   15 o  142.161   37.413   4.7665   4.0895   2.5784   6.5422   6.1699   5.2393  134.784   54.643  149.538   51.119 -14.75446 74.82604 
1 1 1   14   11   17 o  286.290   28.881   23.749   4.5592   25.595   7.5839   22.704   5.7053  293.850   45.256  278.731   35.892 15.11905 57.76104 
1 1 1   14   11   19 f  754.183   19.241  165.615   8.2286  159.765   12.175  170.533   11.164  741.079   28.808  767.286   25.514 -26.20715 38.48240 
1 1 1   14   11   21 o  522.230   20.260   80.729   5.9686   85.630   8.0428   74.722   8.9044  541.330   26.053  503.130   31.034 38.19943 40.51949 
1 1 1   14   11   23 o  252.542   27.684   19.815   3.8785   17.285   5.3598   22.596   5.6193  232.913   41.892  272.171   36.203 -39.25775 55.36819 
1 1 1   14   11   25 o  178.500   38.385   12.161   4.7283   16.075   5.9101   5.2004   7.8813  215.437   49.186  141.563   58.943 73.87384 76.76923 
1 1 1   14   11   27 o   77.112   37.730  -7.9217   5.5463   0.0000   0.0000  -7.9217   5.5463  ?   ?    77.112   37.730      ?      ? 
1 1 1   14   11   29 o   97.577   29.522   1.8335   2.3980   1.2463   2.6763   4.2251   5.4008   81.427   34.160  113.726   48.160 -32.29871 59.04444 
1 1 1   14   11   31 o   67.564   21.337   0.0530   1.7226  -1.6313   2.8286   1.0458   2.1717   63.077   29.819   72.052   30.527 -8.974533 42.67379 
1 1 1   14   11   33 o  105.568   26.254   5.0240   2.1161   7.8121   3.1155   2.6360   2.8833  128.523   39.054   82.613   35.097 45.91024 52.50729 
1 1 1   14   12    0 o  893.708   15.995  228.588   11.512  228.588   11.512  228.588   11.512  893.708   22.621  893.708   22.621 0.000000 0.000000 
1 1 1   14   12    2 o  952.313   15.722  259.466   8.5370  265.953   12.135  253.109   12.012  964.122   22.070  940.505   22.396 23.61688 31.44331 
1 1 1   14   12    4 o  405.237   24.416   47.138   5.6353   50.584   8.1558   43.989   7.7954  419.426   34.097  391.048   34.956 28.37820 48.83138 
1 1 1   14   12    6 o  1516.22   16.566  658.442   14.317  633.046   20.207  684.042   20.288  1486.74   23.833  1545.69   23.016 -58.95203 33.13209 
1 1 1   14   12    8 o  1015.20   15.799  295.445   9.1340  288.000   13.167  302.352   12.682  1002.72   23.026  1027.67   21.638 -24.95245 31.59768 
1 1 1   14   12   10 o  610.616   19.185  105.870   6.4818  102.253   8.1626  112.044   10.664  597.143   23.969  624.089   29.963 -26.94598 38.37097 
1 1 1   14   12   12 o  347.634   26.946   34.761   5.3421   34.761   5.3421   0.0000   0.0000  347.634   26.946  ?   ?       ?      ? 
1 1 1   14   12   14 o  328.956   29.544   30.439   3.8753   29.974   4.1746   33.340   10.422  323.034   22.661  334.877   54.570 -11.84253 59.08821 
1 1 1   14   12   16 o  323.166   20.620   30.264   3.7971   28.915   5.3749   31.609   5.3650  315.853   29.839  330.478   28.466 -14.62515 41.23993 
1 1 1   14   12   18 o  437.560   20.254   55.890   4.9204   56.898   6.3134   54.331   7.8525  443.574   24.958  431.546   31.907 12.02771 40.50885 
1 1 1   14   12   20 o  364.563   38.541   42.855   7.2326   44.688   8.9110   39.318   12.381  385.417   40.542  343.710   65.559 41.70618 77.08155 
1 1 1   14   12   22 o  309.441   38.744   31.034   5.2212   30.693   5.8172   32.448   11.841  320.264   31.850  298.618   70.639 21.64612 77.48761 
1 1 1   14   12   24 o  185.598   32.134   12.021   4.0028   19.061   5.3758   3.2602   5.9966  246.403   38.256  124.794   51.642 121.6085 64.26839 
1 1 1   14   12   26 o   98.233   45.596  -2.3064   6.1215   0.0000   0.0000  -2.3064   6.1215  ?   ?    98.233   45.596      ?      ? 
1 1 1   14   12   28 o  148.438   43.051   7.3620   4.9346   19.594   10.610   3.9859   5.5741  181.391   70.858  115.483   48.916 65.90792 86.10262 
1 1 1   14   12   30 o   73.558   23.882  -0.5318   2.3100   0.6759   2.8647  -2.7770   3.9060   76.576   33.734   70.541   33.816 6.035416 47.76478 
1 1 1   14   12   32 o  100.444   26.204   4.5455   2.1356   2.5708   3.4167   5.8115   2.7359   85.517   37.276  115.371   36.840 -29.85372 52.40886 
1 1 1   14   13    1 o  946.428   15.951  256.389   8.6092  255.462   12.218  257.303   12.132  944.710   22.679  948.146   22.438 -3.436218 31.90296 
1 1 1   14   13    3 o  1728.52   16.881  855.690   16.640  851.211   23.558  860.150   23.507  1723.98   23.961  1733.06   23.785 -9.084595 33.76165 
1 1 1   14   13    5 o  921.308   22.929  244.094   12.042  244.313   17.278  243.887   16.794  921.601   32.874  921.014   31.973 0.5874634 45.85838 
1 1 1   14   13    7 o  155.709   29.764   7.4282   2.8519   10.066   3.7911   3.9894   4.3286  183.492   37.495  127.926   46.234 55.56532 59.52749 
1 1 1   14   13    9 o  152.730   31.413   6.9338   2.8985   7.2008   3.9480   6.6216   4.2689  155.139   43.087  150.321   45.724 4.818359 62.82611 
1 1 1   14   13   11 o  472.524   21.873   64.512   5.8802   69.501   8.3091   59.506   8.3227  491.072   29.670  453.975   32.147 37.09723 43.74615 
1 1 1   14   13   13 o  523.672   22.607   77.045   5.4325   75.520   6.0616   83.268   12.245  513.068   20.717  534.277   40.189 -21.20947 45.21472 
1 1 1   14   13   15 o  672.785   21.793  126.763   7.0790  122.967   8.0384  139.880   14.941  653.983   21.553  691.586   37.883 -37.60339 43.58530 
1 1 1   14   13   17 f  924.512   20.355  249.705   10.580  258.275   13.991  238.260   16.169  944.701   25.969  904.323   31.352 40.37750 40.71074 
1 1 1   14   13   19 o  299.772   41.843   29.292   6.6230   30.275   8.1644   27.402   11.326  315.808   45.332  283.736   70.344 32.07126 83.68578 
1 1 1   14   13   21 o  272.956   38.052   20.453   4.7662   17.765   5.2802   32.279   11.076  241.713   38.305  304.200   65.760 -62.48639 76.10320 
1 1 1   14   13   23 o  118.534   35.216  -1.3221   3.8942   8.3347   7.3825  -5.0450   4.5839  159.390   59.886   77.678   37.073 81.71225 70.43282 
1 1 1   14   13   25 o  114.315   38.083  -3.0992   5.6205   0.0076   10.770  -4.2619   6.5888  131.927   60.968   96.702   45.652 35.22464 76.16575 
1 1 1   14   13   27 o  134.258   38.714   6.7078   4.6960   7.5350   6.4846   5.7955   6.8097  138.640   55.011  129.876   54.487 8.763550 77.42799 
1 1 1   14   13   29 o  124.977   36.240   4.6059   3.6172   14.239   7.4830   1.6687   4.1320  157.653   60.047   92.300   40.591 65.35239 72.47933 
1 1 1   14   13   31 o   80.335   24.675   0.9384   2.5078   3.6565   2.8528  -8.3041   5.2605   95.224   36.868   65.445   32.805 29.77904 49.35018 
1 1 1   14   14    0 o  306.032   21.822   27.611   5.2605   27.611   5.2605   27.611   5.2605  306.032   30.861  306.032   30.861 0.000000 0.000000 
1 1 1   14   14    2 o  1119.59   16.110  359.004   10.285  351.671   14.539  366.349   14.550  1108.10   23.008  1131.09   22.557 -22.98499 32.22054 
1 1 1   14   14    4 o  639.526   23.613  117.878   8.5997  115.073   12.406  120.472   11.931  632.002   34.421  647.049   32.334 -15.04688 47.22619 
1 1 1   14   14    6 o  467.430   17.213   62.725   4.5821   59.428   6.5134   65.956   6.4474  455.172   25.092  479.689   23.568 -24.51749 34.42515 
1 1 1   14   14    8 o  509.370   14.462   73.677   3.9610   72.438   4.8328   76.213   6.9135  503.265   16.839  515.474   23.518 -12.20969 28.92478 
1 1 1   14   14   10 o  183.571   32.561   10.202   3.2780   10.246   4.0269   10.116   5.6435  184.371   39.489  182.772   51.783 1.598984 65.12206 
1 1 1   14   14   12 o  223.537   23.078   14.709   2.7638   10.009   3.7664   20.193   4.0681  182.335   37.474  264.738   26.945 -82.40356 46.15579 
1 1 1   14   14   14 o  272.854   38.105   27.812   4.6096   31.323   5.1760   14.354   10.135  329.226   27.568  216.482   71.050 112.7443 76.21098 
1 1 1   14   14   16 o  316.267   38.033   27.757   6.3871   17.515   7.8787   47.391   10.909  234.750   58.938  397.785   48.088 -163.0349 76.06643 
1 1 1   14   14   18 o  137.295   37.748   4.2465   4.0623   3.7394   7.1768   4.4855   4.9277  141.994   57.348  132.596   49.101 9.397598 75.49693 
1 1 1   14   14   20 o  102.350   31.686  -1.0373   3.6753  -4.3662   5.3403   1.9583   5.0659   89.531   41.897  115.169   47.546 -25.63842 63.37188 
1 1 1   14   14   22 o  127.863   32.941   4.5704   3.0611   6.0469   4.9083   3.6306   3.9160  139.434   49.363  116.291   43.631 23.14327 65.88132 
1 1 1   14   14   24 o  259.469   30.737   20.999   4.2610   13.398   5.4149   33.360   6.9052  195.062   48.799  323.877   37.386 -128.8143 61.47350 
1 1 1   14   14   26 o  140.100   56.925   7.2983   7.1177   0.0000   0.0000   7.2983   7.1177  ?   ?   140.100   56.925      ?      ? 
1 1 1   14   14   28 o  126.742   33.540   6.7204   3.3857   7.9403   4.2518   4.6067   5.5968  138.937   46.041  114.547   48.786 24.38942 67.08088 
1 1 1   14   14   30 o   71.111   24.681  -5.0350   3.5055  -8.8452   5.4025  -2.2643   4.6070   66.717   33.414   75.505   36.333 -8.787445 49.36156 
1 1 1   14   14   32 o   69.383   24.125  -2.4340   3.2588  -4.6897   5.7331  -1.3572   3.9610   70.151   35.027   68.616   33.183 1.535118 48.24937 
1 1 1   14   15    1 o  294.414   20.381   24.909   3.4213   24.377   4.8403   25.440   4.8365  291.246   29.142  297.582   28.499 -6.335297 40.76113 
1 1 1   14   15    3 f  322.228   19.952   29.785   3.6618   31.987   5.2840   27.750   5.0791  333.709   27.765  310.746   28.661 22.96237 39.90428 
1 1 1   14   15    5 o  746.236   23.264  160.419   9.8966  164.840   14.244  156.294   13.761  756.135   33.032  736.337   32.769 19.79755 46.52871 
1 1 1   14   15    7 o  976.753   15.920  273.629   8.8673  270.951   12.574  276.278   12.507  971.956   22.685  981.550   22.343 -9.594055 31.84036 
1 1 1   14   15    9 o  924.923   14.603  245.294   7.7027  244.874   10.889  245.715   10.898  924.128   20.661  925.718   20.643 -1.590027 29.20634 
1 1 1   14   15   11 o  223.344   27.802   14.372   3.4032   10.622   4.4614   19.592   5.2629  186.947   42.773  259.741   35.530 -72.79408 55.60492 
1 1 1   14   15   13 o  249.096   20.106   18.261   2.6626   18.861   3.2584   17.055   4.6195  256.049   22.314  242.142   33.452 13.90706 40.21186 
1 1 1   14   15   15 o  578.162   24.444   99.577   7.1786  101.926   8.4848   93.659   13.466  593.850   25.054  562.474   41.980 31.37543 48.88745 
1 1 1   14   15   17 o  441.967   24.449   58.946   6.0081   48.572   8.9758   67.368   8.0870  403.914   38.966  480.020   29.542 -76.10663 48.89879 
1 1 1   14   15   19 o  449.786   19.877   58.191   4.9819   53.548   6.3051   65.908   8.1280  427.533   25.860  472.039   30.193 -44.50586 39.75391 
1 1 1   14   15   21 o  307.614   24.982   26.228   3.5948   33.957   8.1467   24.359   4.0059  327.801   43.579  287.427   24.439 40.37402 49.96391 
1 1 1   14   15   23 o   91.031   29.477  -1.8379   3.4302  -2.5781   5.2407  -1.2831   4.5371   91.805   42.462   90.258   40.896 1.546944 58.95336 
1 1 1   14   15   25 o   86.261   41.945  -7.5855   6.5574   0.0000   0.0000  -7.5855   6.5574  ?   ?    86.261   41.945      ?      ? 
1 1 1   14   15   27 o  142.064   36.862   8.6511   4.1597   4.9644   6.0158   12.029   5.7580  119.325   50.695  164.802   53.529 -45.47659 73.72443 
1 1 1   14   15   29 o  135.148   33.588   9.0949   3.3594   10.130   4.1758   7.1967   5.6557  151.026   45.063  119.271   49.819 31.75452 67.17602 
1 1 1   14   15   31 o   88.951   29.799   2.1688   3.2792   7.1393   7.3501   0.9335   3.6641  100.954   47.826   76.948   35.561 24.00662 59.59801 
1 1 1   14   16    0 f  329.129   23.504   31.994   6.0931   31.994   6.0931   31.994   6.0931  329.129   33.240  329.129   33.240 -0.000000 0.000000 
1 1 1   14   16    2 o  716.778   16.107  147.367   6.5796  140.763   9.2918  154.008   9.3180  700.582   23.257  732.975   22.292 -32.39288 32.21482 
1 1 1   14   16    4 o  414.516   18.135   49.306   4.2816   52.879   6.1560   45.958   5.9590  429.105   25.156  399.927   26.128 29.17749 36.26963 
1 1 1   14   16    6 o  364.249   23.024   38.748   3.5039   37.698   8.6749   38.952   3.8303  359.651   42.295  368.847   18.209 -9.196472 46.04839 
1 1 1   14   16    8 o  683.973   16.451  134.405   6.4153  137.663   9.0619  131.131   9.0834  692.352   22.951  675.593   23.576 16.75885 32.90237 
1 1 1   14   16   10 o  328.299   24.265   31.356   4.5307   33.306   6.3307   29.309   6.4868  339.044   32.742  317.555   35.820 21.48938 48.52901 
1 1 1   14   16   12 o  103.171   26.405   2.2723   2.0188   1.0756   2.6176   4.0290   3.1715   86.551   34.747  119.791   39.767 -33.24009 52.80912 
1 1 1   14   16   14 o  320.451   40.464   31.877   7.1972   27.882   10.141   35.933   10.217  295.920   62.070  344.982   51.930 -49.06216 80.92869 
1 1 1   14   16   16 f  406.257   27.001   48.899   4.9210   48.823   5.4835   49.213   11.154  410.558   23.420  401.955   48.659 8.602966 54.00211 
1 1 1   14   16   18 o  172.855   35.431   9.1921   3.5208   8.2292   4.2811   11.204   6.1889  160.886   44.934  184.825   54.795 -23.93892 70.86256 
1 1 1   14   16   20 o  266.082   29.735   21.887   4.4832   19.797   5.9455   24.641   6.8256  251.904   41.386  280.260   42.706 -28.35535 59.46935 
1 1 1   14   16   22 o  249.743   37.757   22.071   5.1697   21.584   7.9100   22.434   6.8304  242.914   57.916  256.573   48.457 -13.65904 75.51379 
1 1 1   14   16   24 o  141.065   59.093   6.4684   7.9900   0.0000   0.0000   6.4684   7.9900  ?   ?   141.065   59.093      ?      ? 
1 1 1   14   16   26 o  105.241   35.089  -0.8637   4.6124   3.1003   9.3787  -2.1283   5.2972  122.375   56.673   88.107   41.389 34.26755 70.17739 
1 1 1   14   16   28 o  108.351   32.235   4.6231   3.5655  -0.5125   7.4721   6.1372   4.0571   97.249   46.659  119.453   44.490 -22.20454 64.47076 
1 1 1   14   16   30 o  117.077   34.718   8.7754   3.9670   6.7949   5.5812   10.797   5.6394  106.856   47.079  127.298   51.039 -20.44099 69.43575 
1 1 1   14   17    1 o  401.412   17.997   46.316   4.1173   44.296   5.7996   48.369   5.8463  392.527   25.908  410.297   24.986 -17.76978 35.99303 
1 1 1   14   17    3 o  590.549   16.655  100.179   5.6075   98.544   7.9870  101.767   7.8745  585.735   23.910  595.364   23.192 -9.629578 33.31072 
1 1 1   14   17    5 o  779.662   20.493  177.249   8.4847  169.741   14.861  180.880   10.335  765.631   34.037  793.693   22.832 -28.06274 40.98523 
1 1 1   14   17    7 o  1015.27   20.127  300.000   10.888  305.074   13.289  289.636   18.992  1030.59   22.610  999.938   33.305 30.65515 40.25436 
1 1 1   14   17    9 o  582.976   22.702   98.703   7.5261  101.761   10.365   95.293   10.946  592.963   30.652  572.989   33.496 19.97302 45.40422 
1 1 1   14   17   11 o  391.988   19.279   44.467   4.3071   45.190   6.0202   43.709   6.1646  395.369   26.700  388.607   27.816 6.761902 38.55702 
1 1 1   14   17   13 o  312.993   23.724   28.595   4.2317   27.619   5.8531   29.664   6.1252  307.442   33.384  318.544   33.718 -11.10214 47.44832 
1 1 1   14   17   15 o  244.276   47.251   18.944   7.0493   28.810   10.740   11.475   9.3439  295.351   65.480  193.202   68.139 102.1493 94.50129 
1 1 1   14   17   17 o   91.682   29.589  -2.5030   3.2898  -1.1351   5.4622  -3.2815   4.1210  103.462   46.027   79.901   37.195 23.56140 59.17756 
1 1 1   14   17   19 o  150.012   38.720   5.1606   3.8642   11.785   7.8402   3.0351   4.4411  184.090   62.535  115.934   45.676 68.15606 77.43960 
1 1 1   14   17   21 o  222.207   26.027   16.260   3.0561   21.908   4.2552   10.243   4.3920  269.865   27.649  174.549   44.104 95.31544 52.05433 
1 1 1   14   17   23 o  111.080   35.479   0.8733   3.9394   0.2731   9.1238   1.0108   4.3675  123.817   56.817   98.344   42.507 25.47306 70.95803 
1 1 1   14   17   25 o   99.330   47.246  -3.0605   7.3142   0.0000   0.0000  -3.0605   7.3142  ?   ?    99.330   47.246      ?      ? 
1 1 1   14   17   27 o  107.358   34.152   3.4456   4.4273   1.2066   7.3245   4.7345   5.5574  103.037   48.486  111.680   48.110 -8.643150 68.30476 
1 1 1   14   17   29 o  110.884   34.917   4.3147   4.4350   16.155   7.5106  -2.0241   5.4955  142.461   58.246   79.306   38.526 63.15457 69.83408 
1 1 1   14   18    0 o   86.485   32.980   3.0808   3.1958   3.0808   3.1958   3.0808   3.1958   86.485   46.640   86.485   46.640 -0.000000 0.000000 
1 1 1   14   18    2 o  260.871   22.794   19.619   3.3536   15.901   4.5928   23.866   4.9084  234.223   34.384  287.518   29.935 -53.29408 45.58881 
1 1 1   14   18    4 o  420.290   17.781   50.824   4.2599   48.862   5.9906   52.832   6.0589  412.028   25.495  428.551   24.791 -16.52237 35.56107 
1 1 1   14   18    6 o  519.524   25.464   78.901   7.5013   72.587   10.894   84.594   10.344  498.998   38.282  540.051   33.587 -41.05286 50.92730 
1 1 1   14   18    8 o  133.844   33.872   4.6333   3.2227   4.7919   4.1009   4.3773   5.2112  132.105   45.225  135.583   50.437 -3.478210 67.74393 
1 1 1   14   18   10 o  350.019   19.059   35.599   3.6258   35.962   4.5079   34.933   6.1019  353.346   22.371  346.691   30.863 6.655457 38.11742 
1 1 1   14   18   12 o  684.777   16.881  135.570   6.5849  128.635   9.3309  142.451   9.2940  667.070   24.528  702.484   23.199 -35.41461 33.76126 
1 1 1   14   18   14 o  286.715   24.492   23.974   3.9749   20.499   5.3119   28.396   5.9920  263.190   35.391  310.239   33.868 -47.04828 48.98478 
1 1 1   14   18   16 o  497.330   26.280   72.881   6.8943   70.380   8.2554   78.646   12.534  488.276   29.647  506.383   43.402 -18.10635 52.56086 
1 1 1   14   18   18 o  126.952   37.170   2.8846   4.4125   1.8008   6.5419   3.7893   5.9768  123.595   52.695  130.308   52.438 -6.712990 74.34018 
1 1 1   14   18   20 o  142.188   39.834   3.5358   4.9132   11.897   8.2127  -1.1246   6.1314  178.763   63.791  105.613   47.725 73.15015 79.66827 
1 1 1   14   18   22 o  280.984   28.873   27.069   4.0782   29.083   5.0113   23.121   7.0173  307.809   28.548  254.160   50.195 53.64835 57.74546 
1 1 1   14   18   24 o  178.848   65.449   15.904   8.7133   0.0000   0.0000   15.904   8.7133  ?   ?   178.848   65.449      ?      ? 
1 1 1   14   18   26 o   96.201   30.691   1.0785   3.6990   3.3807   4.8443  -2.1406   5.7284  104.759   45.021   87.642   41.722 17.11656 61.38106 
1 1 1   14   18   28 o   94.922   31.624   2.1713   4.4419   0.5657   7.1962   3.1596   5.6459   92.936   44.893   96.907   44.552 -3.971107 63.24762 
1 1 1   14   18   30 o   76.193   26.240  -0.7929   3.6065  -3.2585   4.8372   2.2932   5.4118   68.352   33.791   84.033   40.155 -15.68106 52.48058 
1 1 1   14   19    1 o  669.238   16.502  128.784   6.2956  133.699   8.9433  123.955   8.8640  681.979   22.995  656.498   23.676 25.48065 33.00475 
1 1 1   14   19    3 o  423.169   18.416   51.614   4.4441   50.905   6.2618   52.333   6.3082  420.227   26.129  426.112   25.959 -5.885223 36.83199 
1 1 1   14   19    5 o  466.860   18.038   63.054   4.7809   69.628   6.7455   56.418   6.7771  491.679   24.057  442.040   26.884 49.63846 36.07592 
1 1 1   14   19    7 o  313.214   42.186   28.944   7.5353   0.0000   0.0000   28.944   7.5353  ?   ?   313.214   42.186      ?      ? 
1 1 1   14   19    9 o  236.125   29.946   16.244   3.8753   11.790   5.0612   22.556   6.0247  195.253   46.178  276.996   38.139 -81.74268 59.89137 
1 1 1   14   19   11 o  298.742   21.784   25.827   3.6955   23.261   4.9740   28.990   5.5212  282.296   30.896  315.189   30.716 -32.89374 43.56701 
1 1 1   14   19   13 o  215.745   25.778   14.352   3.0096   15.907   3.9764   12.266   4.6049  232.894   29.939  198.595   41.973 34.29877 51.55672 
1 1 1   14   19   15 o  122.412   43.631   4.1651   3.8408   0.0000   0.0000   4.1651   3.8408  ?   ?   122.412   43.631      ?      ? 
1 1 1   14   19   17 o  133.917   37.640   4.0285   4.4186   1.3636   6.3602   6.5145   6.1431  120.219   51.624  147.615   54.792 -27.39548 75.28049 
1 1 1   14   19   19 o  141.047   39.651   5.5926   4.9075   1.7618   8.1595   7.7637   6.1427  129.782   57.059  152.312   55.072 -22.52982 79.30116 
1 1 1   14   19   21 o  111.954   35.140   1.0186   3.7880   2.7920   8.0579   0.5155   4.2918  128.433   56.577   95.475   41.693 32.95820 70.27988 
1 1 1   14   19   23 o  101.137   42.258   2.2933   4.0709   0.0000   0.0000   2.2933   4.0709  ?   ?   101.137   42.258      ?      ? 
1 1 1   14   19   25 o  138.846   36.218   8.1677   3.3578   9.7166   8.4075   7.8737   3.6626  136.013   58.882  141.678   42.187 -5.665054 72.43507 
1 1 1   14   19   27 o   94.457   29.508   2.7355   3.3140  -5.4694   7.7938   4.5465   3.6616   84.921   42.142  103.993   41.314 -19.07171 59.01508 
1 1 1   14   19   29 o   89.321   29.322   3.4910   3.6138   0.0265   7.8300   4.4288   4.0735   84.857   42.132   93.786   40.793 -8.929214 58.64468 
1 1 1   14   20    0 o   44.582   22.108  -3.1687   3.0159  -3.1687   3.0159  -3.1687   3.0159   44.582   31.265   44.582   31.265 -0.000000 0.000000 
1 1 1   14   20    2 o  111.309   27.826   2.6416   2.3998   0.0044   3.3669   5.3647   3.4213   88.139   37.696  134.478   40.940 -46.33901 55.65171 
1 1 1   14   20    4 o   77.402   24.986  -2.3027   2.4808  -3.6440   3.6364  -1.1350   3.3929   73.180   34.350   81.624   36.295 -8.443565 49.97259 
1 1 1   14   20    6 o  573.620   17.092   95.057   5.5837  100.553   7.8926   89.551   7.9006  590.440   23.440  556.801   24.881 33.63904 34.18303 
1 1 1   14   20   10 o  222.628   24.571   14.704   3.0244   12.319   4.1281   17.467   4.4437  201.142   37.363  244.115   31.920 -42.97375 49.14135 
1 1 1   14   20   12 o  725.299   17.252  153.004   7.1290  162.157   10.175  144.178   9.9914  746.898   23.888  703.700   24.897 43.19800 34.50360 
1 1 1   14   20   14 o  556.703   24.798   90.720   7.8730   0.0000   0.0000   90.720   7.8730  ?   ?   556.703   24.798      ?      ? 
1 1 1   14   20   16 o  222.356   76.159   19.404   11.630   19.404   11.630   0.0000   0.0000  222.356   76.159  ?   ?       ?      ? 
1 1 1   14   20   18 o  154.993   32.364   6.6546   3.0059   13.055   5.4554   3.8643   3.6019  194.501   49.159  115.485   42.108 79.01568 64.72803 
1 1 1   14   20   20 o  217.561   40.721   19.107   5.3046   14.123   8.4458   22.355   6.8169  183.923   64.791  251.199   49.346 -67.27574 81.44225 
1 1 1   14   20   22 o   95.911   46.348  -6.1124   7.6889   0.0000   0.0000  -6.1124   7.6889  ?   ?    95.911   46.348      ?      ? 
1 1 1   14   20   24 o  132.695   37.154   7.5435   4.3684   11.241   6.2253   3.9569   6.1315  152.641   55.403  112.750   49.519 39.89037 74.30772 
1 1 1   14   20   26 o   93.474   30.731   1.0412   4.0452   4.1115   5.6811  -2.1165   5.7614  103.466   46.417   83.483   40.287 19.98272 61.46228 
1 1 1   14   20   28 o  108.898   33.374   7.4967   4.8546  -5.5814   8.4507   13.938   5.9309   79.999   40.296  137.797   53.212 -57.79825 66.74846 
1 1 1   14   21    1 o  1028.50   16.223  304.977   9.5137  297.171   13.372  312.978   13.538  1015.10   23.099  1041.91   22.785 -26.80646 32.44558 
1 1 1   14   21    3 o  117.182   31.262   3.1091   2.8441   3.1695   4.2070   3.0581   3.8597  118.987   45.094  115.377   43.311 3.609238 62.52446 
1 1 1   14   21    5 o  703.918   16.654  143.032   6.6841  140.611   9.3367  145.577   9.5733  697.846   23.461  709.990   23.644 -12.14441 33.30822 
1 1 1   14   21    7 o  666.953   22.845  130.365   8.6830  134.947   12.220  125.692   12.340  679.208   31.547  654.698   33.052 24.50964 45.69077 
1 1 1   14   21    9 o  552.943   25.957   90.838   8.1663   90.103   11.926   91.487   11.205  550.037   38.020  555.849   35.349 -5.811829 51.91435 
1 1 1   14   21   11 o  543.568   17.375   86.066   5.3823   90.695   7.7309   81.713   7.4979  557.869   24.300  529.266   24.841 28.60211 34.75005 
1 1 1   14   21   13 o  160.300   30.454   8.2512   2.8357   8.5439   3.7855   7.8769   4.2805  163.927   40.685  156.674   45.326 7.253571 60.90708 
1 1 1   14   21   15 o  221.250   27.426   14.563   3.4605   0.0000   0.0000   14.563   3.4605  ?   ?   221.250   27.426      ?      ? 
1 1 1   14   21   17 o  184.849   47.902   13.399   6.6458   10.824   11.303   14.760   8.2159  173.953   71.327  195.745   63.959 -21.79231 95.80301 
1 1 1   14   21   19 o  107.076   33.702   0.4154   4.1492   0.2441   5.9201   0.5809   5.8169  106.723   47.665  107.428   47.658 -0.7051239 67.40409 
1 1 1   14   21   21 o  101.554   48.719  -4.7987   8.1411   0.0000   0.0000  -4.7987   8.1411  ?   ?   101.554   48.719      ?      ? 
1 1 1   14   21   23 o   93.918   31.268  -0.9667   4.1514   0.5895   4.8459  -5.2590   8.0481   93.253   42.257   94.583   46.098 -1.330719 62.53600 
1 1 1   14   21   25 o  102.272   33.010   3.3158   4.2989   4.9938   6.1404   1.7027   6.0206  108.338   48.454   96.205   44.843 12.13311 66.02031 
1 1 1   14   21   27 o   79.526   27.686  -2.3515   4.2249   1.4945   6.6774  -4.9188   5.4557   88.341   42.810   70.711   35.119 17.62981 55.37165 
1 1 1   14   22    0 o  114.014   39.394   5.6543   4.2807   5.6543   4.2807   5.6543   4.2807  114.014   55.711  114.014   55.711 0.000000 0.000000 
1 1 1   14   22    2 o  106.215   30.213   1.5532   2.8995  -0.7418   4.4632   3.2292   3.8140   96.424   42.301  116.006   43.150 -19.58157 60.42627 
1 1 1   14   22    4 o  267.363   25.058   21.127   3.7622   25.998   5.4415   16.668   5.2072  297.760   32.045  236.966   38.532 60.79330 50.11592 
1 1 1   14   22    6 o  364.260   27.533   39.482   5.7011   38.338   7.7154   40.859   8.4612  358.969   37.688  369.550   40.148 -10.58109 55.06628 
1 1 1   14   22    8 o  145.577   33.365   6.7622   3.4133   9.0731   3.9883   0.4362   6.5987  170.153   41.477  121.001   52.274 49.15256 66.73046 
1 1 1   14   22   10 o  384.491   24.074   46.810   4.0512   48.581   4.5328   39.777   9.0313  409.597   19.405  359.385   44.065 50.21210 48.14870 
1 1 1   14   22   12 o  195.555   28.136   12.211   3.0814   8.0528   4.3595   16.362   4.3561  157.694   45.778  233.415   32.725 -75.72145 56.27185 
1 1 1   14   22   14 o  128.292   37.736   3.2852   2.8797   3.6102   10.340   3.2579   2.9983  148.989   64.897  107.595   38.528 41.39423 75.47234 
1 1 1   14   22   16 f   91.062   36.536   1.6260   2.8922   0.0000   0.0000   1.6260   2.8922  ?   ?    91.062   36.536      ?      ? 
1 1 1   14   22   18 o  164.312   40.835   11.067   5.5581  -0.9200   11.116   15.063   6.4179  129.518   60.558  199.106   54.796 -69.58783 81.66914 
1 1 1   14   22   20 o  119.933   32.414  -0.5763   3.9795 -10.0807   5.2701   12.032   6.0699   69.329   34.447  170.536   54.918 -101.2074 64.82713 
1 1 1   14   22   22 o  107.404   36.961  -3.7539   6.6031   5.0262   11.199  -8.4335   8.1756  125.198   59.230   89.610   44.230 35.58857 73.92226 
1 1 1   14   22   24 o   98.166   30.755   2.8783   3.5334  -0.2686   6.0646   4.4956   4.3475   90.796   43.138  105.537   43.846 -14.74113 61.50932 
1 1 1   14   22   26 o   87.306   27.880   2.0503   3.0140   4.9764   4.4231  -0.4861   4.1180   99.711   42.938   74.900   35.575 24.81128 55.76018 
1 1 1   14   23    1 o  578.344   17.632   97.364   5.8099  100.739   8.1505   93.877   8.2841  588.841   24.271  567.849   25.581 20.99194 35.26318 
1 1 1   14   23    3 o  450.141   18.801   59.230   4.8179   62.551   6.7690   55.820   6.8588  463.320   25.618  436.961   27.524 26.35950 37.60154 
1 1 1   14   23    5 o  226.357   35.726   16.494   4.5039   14.539   6.3573   18.465   6.3817  211.527   52.851  241.187   48.084 -29.65927 71.45140 
1 1 1   14   23    7 o  403.590   18.873   47.851   4.3367   45.452   6.1932   50.158   6.0746  393.256   27.615  413.925   25.734 -20.66882 37.74679 
1 1 1   14   23    9 o  150.055   30.925   6.5550   3.0980   11.521   4.5831   2.3771   4.2040  189.657   43.323  110.453   44.144 79.20467 61.85094 
1 1 1   14   23   11 o  363.290   33.948   42.947   6.8810   37.501   10.323   47.302   9.2305  337.176   53.687  389.404   41.565 -52.22806 67.89693 
1 1 1   14   23   13 f  152.054   30.023   7.6298   2.7106   7.0093   3.9201   8.1984   3.7522  145.979   43.685  158.130   41.196 -12.15114 60.04535 
1 1 1   14   23   15 o  212.549   36.969   20.159   4.4945   5.3074   11.293   22.954   4.8992  151.818   66.923  273.280   31.436 -121.4621 73.93843 
1 1 1   14   23   17 o  237.755   24.928   17.100   3.3799   0.0000   0.0000   17.100   3.3799  ?   ?   237.755   24.928      ?      ? 
1 1 1   14   23   19 o  210.337   38.098   15.319   2.5330   21.924   11.031   14.951   2.6025  197.513   73.401  223.162   20.449 -25.64825 76.19646 
1 1 1   14   23   21 o   96.740   33.778  -7.1349   6.3933  -5.8640   10.708  -7.8389   7.9695  104.095   51.233   89.385   44.033 14.71001 67.55499 
1 1 1   14   23   23 o   97.242   31.072   2.2646   3.4834   1.0875   4.2903   4.5416   5.9673   87.403   39.668  107.080   47.838 -19.67724 62.14479 
1 1 1   14   23   25 o   77.857   27.078  -2.8862   4.2144  -3.8878   6.1334  -1.9903   5.8006   76.636   37.916   79.078   38.670 -2.442314 54.15658 
1 1 1   14   24    0 f  390.690   19.851   44.865   6.1808   44.865   6.1808   44.865   6.1808  390.690   28.074  390.690   28.074 0.000000 0.000000 
1 1 1   14   24    2 o  324.292   21.567   31.128   3.9875   31.987   5.6437   30.272   5.6346  328.920   30.087  319.664   30.909 9.255981 43.13437 
1 1 1   14   24    4 f  299.435   32.176   28.478   5.1783   29.967   6.6857   26.245   8.1867  314.951   37.223  283.919   52.495 31.03180 64.35288 
1 1 1   14   24    6 o  313.675   20.547   28.721   3.6350   23.490   4.8491   35.432   5.4923  281.059   30.253  346.291   27.811 -65.23239 41.09368 
1 1 1   14   24    8 o  328.513   21.918   32.488   4.0818   29.737   5.9102   34.996   5.6440  314.102   32.994  342.924   28.860 -28.82181 43.83517 
1 1 1   14   24   10 o  270.694   23.407   22.214   3.6081   23.829   5.2565   20.775   4.9615  280.071   32.910  261.316   33.293 18.75424 46.81345 
1 1 1   14   24   12 o  183.987   45.314   12.795   5.7967   11.930   9.4716   13.314   7.3297  178.626   67.671  189.348   60.283 -10.72282 90.62721 
1 1 1   14   24   14 o  273.891   39.606   28.659   4.4307   24.931   11.192   29.352   4.8248  236.453   74.405  311.329   27.175 -74.87627 79.21240 
1 1 1   14   24   16 o  169.336   38.777   11.375   3.8953   8.6560   10.483   11.810   4.1957  152.988   65.990  185.683   40.741 -32.69487 77.55356 
1 1 1   14   24   18 o   73.540   32.635  -0.1637   2.7296   0.0000   0.0000  -0.1637   2.7296  ?   ?    73.540   32.635      ?      ? 
1 1 1   14   24   20 o  113.892   53.034   2.7621   8.3871   0.0000   0.0000   2.7621   8.3871  ?   ?   113.892   53.034      ?      ? 
1 1 1   14   24   22 o  101.425   33.634   1.9631   4.7024   6.2799   7.7002  -0.6042   5.9383  113.631   52.163   89.219   42.474 24.41217 67.26832 
1 1 1   14   24   24 o   85.561   29.886  -2.0657   4.5022  -5.6179   5.3944   6.0891   8.1732   69.825   34.719  101.297   48.654 -31.47128 59.77162 
1 1 1   14   25    1 o  279.966   23.203   23.557   3.7017   24.508   5.2235   22.599   5.2465  285.976   32.029  273.955   33.581 12.02078 46.40619 
1 1 1   14   25    3 o  253.817   34.055   21.254   4.7227   23.635   6.2600   18.110   7.1949  276.969   39.632  230.666   55.392 46.30315 68.11040 
1 1 1   14   25    5 o  352.658   20.317   37.064   4.0861   37.162   5.7902   36.967   5.7672  353.110   28.753  352.206   28.713 0.9042664 40.63468 
1 1 1   14   25    7 o  560.236   17.452   92.763   5.5585  102.448   7.9610   83.549   7.7646  589.557   23.678  530.915   25.645 58.64240 34.90435 
1 1 1   14   25    9 o  238.421   37.343   20.938   4.2210   16.833   9.2883   22.006   4.7385  207.533   68.014  269.310   30.853 -61.77650 74.68505 
1 1 1   14   25   11 o  259.677   20.686   19.875   2.6942   21.852   5.3318   19.197   3.1221  264.375   35.364  254.980   21.471 9.394653 41.37156 
1 1 1   14   25   13 o  117.209   54.223  -1.4702   8.5519  -1.4702   8.5519   0.0000   0.0000  117.209   54.223  ?   ?       ?      ? 
1 1 1   14   25   15 o  116.627   35.621   2.9467   3.0128   3.3398   9.6183   2.9039   3.1725  131.699   59.620  101.556   38.998 30.14256 71.24123 
1 1 1   14   25   17 o  109.495   28.818   3.9591   2.6877  -1.1773   5.1734   5.8578   3.1455   91.074   42.147  127.917   39.313 -36.84277 57.63607 
1 1 1   14   25   19 o  105.599   40.535   3.9422   3.4267   0.0000   0.0000   3.9422   3.4267  ?   ?   105.599   40.535      ?      ? 
1 1 1   14   25   21 o   96.945   31.822   2.1738   2.5728   5.0204   10.416   1.9889   2.6551  110.504   53.531   83.385   34.423 27.11874 63.64328 
1 1 1   14   25   23 f   82.064   27.450  -0.6088   3.4742  -5.0453   4.7459   4.5135   5.0995   66.879   33.135   97.249   43.773 -30.37046 54.90032 
1 1 1   14   26    0 o  246.281   27.586   19.230   5.0677   19.230   5.0677   19.230   5.0677  246.281   39.012  246.281   39.012 0.000000 0.000000 
1 1 1   14   26    2 o  144.373   35.570   6.4114   4.0408   10.124   5.1344   0.3695   6.5496  172.771   49.543  115.975   51.052 56.79592 71.13911 
1 1 1   14   26    4 o  166.429   36.277   9.1291   3.6172   8.3567   4.4087   10.720   6.3273  158.160   46.070  174.697   56.050 -16.53767 72.55421 
1 1 1   14   26    6 f  103.205   29.461   1.9535   2.7361   3.3773   3.8241   0.4600   3.9164  112.821   42.936   93.589   40.352 19.23225 58.92228 
1 1 1   14   26    8 o  339.730   21.334   35.110   4.1288   37.370   5.9824   33.054   5.7055  350.315   29.945  329.145   30.396 21.16956 42.66846 
1 1 1   14   26   10 o  218.837   28.968   15.770   3.5060   15.878   5.3222   15.687   4.6600  215.631   44.746  222.043   36.801 -6.412308 57.93527 
1 1 1   14   26   12 o  297.889   15.145   25.733   2.5269   30.391   4.0686   22.808   3.2242  318.629   22.391  277.150   20.399 41.47943 30.28974 
1 1 1   14   26   14 o  118.277   33.948   4.3338   3.3318  -1.5423   8.7269   5.3365   3.6048  112.789   53.028  123.765   42.402 -10.97615 67.89605 
1 1 1   14   26   16 o  128.841   41.010   5.2278   6.5865  -0.2546   9.8280   9.6977   8.8742  114.850   54.667  142.832   61.147 -27.98269 82.02058 
1 1 1   14   26   18 o  106.164   41.403   4.0842   3.6180   0.0000   0.0000   4.0842   3.6180  ?   ?   106.164   41.403      ?      ? 
1 1 1   14   26   20 o   48.028   23.400  -2.8677   2.0689   0.0000   0.0000  -2.8677   2.0689  ?   ?    48.028   23.400      ?      ? 
1 1 1   14   26   22 o   92.249   31.893   1.0529   2.4022   16.818   10.309   0.1477   2.4702  118.514   56.289   65.984   30.006 52.53024 63.78658 
1 1 1   14   27    1 o  367.547   28.721   43.332   5.9329   44.300   7.8456   42.037   9.0671  376.118   36.577  358.977   44.290 17.14160 57.44152 
1 1 1   14   27    3 o  144.482   36.281   7.0160   3.7541   7.8296   4.7059   5.5922   6.2256  151.264   48.318  137.700   54.134 13.56429 72.56143 
1 1 1   14   27    5 f  177.914   29.937   10.426   3.0230   7.7555   4.0383   13.829   4.5593  151.052   44.119  204.776   40.476 -53.72411 59.87305 
1 1 1   14   27    7 o  277.503   23.943   24.088   3.7848   23.225   5.2025   25.059   5.5163  272.511   33.476  282.494   34.241 -9.983368 47.88641 
1 1 1   14   27    9 o  225.545   27.048   16.708   3.3954   17.154   4.6945   16.219   4.9167  231.605   35.543  219.484   40.782 12.12114 54.09666 
1 1 1   14   27   11 o  170.895   25.267   12.469   2.3854   3.3706   4.6339   15.749   2.7823  112.454   45.838  229.336   21.274 -116.8823 50.53434 
1 1 1   14   27   13 o  108.439   33.999  -1.1345   2.4066   11.681   8.1504  -2.3586   2.5189  157.855   61.978   59.023   27.972 98.83148 67.99764 
1 1 1   14   27   15 o   87.626   29.773  -1.7560   3.2942  -3.1424   8.1550  -1.4857   3.6010  100.286   48.278   74.966   34.855 25.31960 59.54552 
1 1 1   14   27   19 o   97.980   30.821   3.3905   2.8897   0.2447   9.7571   3.6929   3.0254   98.665   48.627   97.294   37.884 1.371300 61.64242 
1 1 1   14   27   21 o   43.792   21.522  -2.8829   1.8670   0.0000   0.0000  -2.8829   1.8670  ?   ?    43.792   21.522      ?      ? 
1 1 1   14   28    2 o  333.218   31.278   36.806   5.7450   35.649   7.2428   38.768   9.4341  332.553   38.191  333.883   49.547 -1.330566 62.55700 
1 1 1   14   28    4 o  117.409   30.439   3.8182   2.7379   1.8202   3.6198   6.4892   4.1853   97.599   40.231  137.218   45.689 -39.61905 60.87719 
1 1 1   14   28    6 o  237.180   26.265   18.265   3.5408   17.993   5.1850   18.502   4.8469  234.200   38.821  240.160   35.389 -5.959625 52.53079 
1 1 1   14   28    8 o  247.159   26.262   20.112   3.5477   15.876   4.8706   24.899   5.1779  214.627   41.292  279.691   32.462 -65.06476 52.52480 
1 1 1   14   28   10 o  410.227   19.933   52.758   4.6624   53.041   6.6619   52.487   6.5274  410.996   28.423  409.458   27.954 1.537689 39.86566 
1 1 1   14   28   12 o  341.930   19.742   36.087   3.7758   28.017   4.9352   47.477   5.8636  295.350   29.300  388.509   26.465 -93.15930 39.48299 
1 1 1   14   28   14 o  153.488   38.395   6.9437   3.3925   21.980   8.3507   3.9714   3.7127  200.476   64.400  106.500   41.825 93.97578 76.78977 
1 1 1   14   28   16 o  118.955   42.168   5.9280   3.5830   0.0000   0.0000   5.9280   3.5830  ?   ?   118.955   42.168      ?      ? 
1 1 1   14   28   18 o   93.973   46.594  -1.2214   9.4489  -1.2214   9.4489   0.0000   0.0000   93.973   46.594  ?   ?       ?      ? 
1 1 1   14   28   20 o   44.093   21.716  -3.0387   1.9348   0.0000   0.0000  -3.0387   1.9348  ?   ?    44.093   21.716      ?      ? 
1 1 1   14   29    3 o   63.822   21.814  -4.3021   2.3856  -3.5675   3.0912  -5.3839   3.7515   62.653   30.047   64.991   31.631 -2.337952 43.62773 
1 1 1   14   29    5 o  127.748   32.754   5.7446   3.1200   6.7965   4.2590   4.5261   4.5836  136.481   46.092  119.015   46.550 17.46626 65.50854 
1 1 1   14   29    7 o   82.684   26.284  -0.4115   2.6057   0.3939   3.6499  -1.2486   3.7210   86.456   38.082   78.912   36.239 7.543549 52.56871 
1 1 1   14   29    9 o   79.925   26.049  -1.2360   2.7610  -1.8791   3.9550  -0.6246   3.8563   77.694   36.258   82.157   37.410 -4.462738 52.09768 
1 1 1   14   29   11 o  125.423   31.337   5.8896   2.7993   8.1211   4.3461   4.3075   3.6595  140.784   46.543  110.061   41.974 30.72335 62.67489 
1 1 1   14   29   13 f   83.303   27.211  -0.6000   3.1148 -14.1703   7.8707   1.9199   3.3916   77.395   38.973   89.210   37.986 -11.81413 54.42245 
1 1 1   14   29   15 o  102.499   39.124   4.1527   3.1811   0.0000   0.0000   4.1527   3.1811  ?   ?   102.499   39.124      ?      ? 
1 1 1   14   29   17 o   86.460   38.093   2.3316   3.6544   0.0000   0.0000   2.3316   3.6544  ?   ?    86.460   38.093      ?      ? 
1 1 1   14   29   19 f   84.506   39.118  -5.2973   3.3881 -15.9642   5.2081   2.5289   4.4611  ?   ?    84.506   39.118      ?      ? 
1 1 1   14   30    0 o   69.567   33.710  -1.9602   6.0448  -1.9602   6.0448  -1.9602   6.0448   69.567   47.673   69.567   47.673 -0.000000 0.000000 
1 1 1   14   30    2 o  129.337   36.869   6.2373   4.4011   0.9493   8.4733   8.1911   5.1504  115.634   53.663  143.041   50.573 -27.40638 73.73859 
1 1 1   14   30    4 f  329.227   22.250   35.353   4.1489   31.429   5.9009   39.190   5.8347  308.300   33.562  350.154   29.219 -41.85327 44.49905 
1 1 1   14   30    6 o   97.474   29.809   1.5220   3.0997   3.5928   4.4744  -0.3888   4.2982  108.475   44.723   86.473   39.422 22.00236 59.61760 
1 1 1   14   30    8 o  217.444   28.502   17.071   3.3975   23.919   5.0789   11.524   4.5709  265.563   33.536  169.326   46.097 96.23682 57.00473 
1 1 1   14   30   10 o   99.939   29.028   2.9466   2.7045   1.2712   3.6888   4.8940   3.9769   87.523   38.425  112.355   43.522 -24.83166 58.05688 
1 1 1   14   30   12 o  104.721   31.524   4.1693   3.4569  -1.4721   7.6001   5.6409   3.8816   94.468   45.753  114.976   43.378 -20.50797 63.04731 
1 1 1   14   30   14 o   78.922   25.853   0.0090   2.6805   1.5575   4.2958  -0.9784   3.4303   87.003   39.566   70.841   33.287 16.16135 51.70549 
1 1 1   14   30   16 o  119.691   43.947   7.5575   3.9332   0.0000   0.0000   7.5575   3.9332  ?   ?   119.691   43.947      ?      ? 
1 1 1   14   31    1 o  118.153   30.946   5.2935   2.7733   5.8073   3.9586   4.7983   3.8865  122.241   44.209  114.065   43.315 8.174965 61.89221 
1 1 1   14   31    3 o  145.719   39.372   10.042   4.4307   12.168   7.3709   8.8390   5.5441  151.779   59.123  139.659   52.010 12.11984 78.74355 
1 1 1   14   31    5 o  121.357   31.808   5.9468   2.9214   6.1110   4.2740   5.8028   4.0024  122.309   45.642  120.405   44.313 1.904388 63.61512 
1 1 1   14   31    7 o  137.776   32.789   7.8982   3.1030   11.353   4.8012   5.4201   4.0665  160.068   48.446  115.484   44.198 44.58477 65.57835 
1 1 1   14   31    9 o  110.670   31.142   4.9651   2.9036   6.3399   4.5593   4.0271   3.7661  118.374   46.392  102.965   41.558 15.40880 62.28378 
1 1 1   14   31   11 o   84.946   28.335   0.2199   3.3519  -4.3769   7.4850   1.3729   3.7488   85.521   42.232   84.372   37.789 1.148636 56.67016 
1 1 1   14   31   13 o   90.204   30.367   0.8368   3.2508   7.8945   7.4683  -0.8129   3.6108  108.859   50.470   71.550   33.783 37.30901 60.73307 
1 1 1   14   31   15 o   80.666   36.597   1.8713   3.6479   0.0000   0.0000   1.8713   3.6479  ?   ?    80.666   36.597      ?      ? 
1 1 1   14   32    0 o  120.460   39.979   7.7957   4.3579   7.7957   4.3579   7.7957   4.3579  120.460   56.539  120.460   56.539 0.000000 0.000000 
1 1 1   14   32    2 o  126.571   31.857   7.0337   2.9304   6.0411   4.2660   7.9205   4.0323  118.219   45.263  134.923   44.842 -16.70414 63.71484 
1 1 1   14   32    4 o   98.265   31.835   2.1314   4.0538  -0.5100   7.0172   3.4544   4.9663   94.804   45.415  101.725   44.624 -6.920326 63.66976 
1 1 1   14   32    6 o   77.647   25.508  -0.5786   2.7452   0.7212   3.8438  -1.9318   3.9219   82.750   37.552   72.543   34.531 10.20747 51.01519 
1 1 1   14   32    8 o   70.740   23.556  -0.8076   2.2632  -1.5770   4.2843  -0.5097   2.6654   75.307   35.914   66.173   30.492 9.134506 47.11230 
1 1 1   14   32   10 o   96.631   29.061   3.7371   2.8908   1.6664   4.0877   5.8088   4.0888   84.851   38.590  108.410   43.461 -23.55911 58.12135 
1 1 1   14   32   12 o  106.218   31.658   6.9793   3.7616   0.8552   8.1824   8.6205   4.2358   88.932   43.961  123.505   45.566 -34.57301 63.31530 
1 1 1   14   33    1 o   99.097   28.754   3.3028   2.7945   6.8727   4.0705   0.1205   3.8432  119.617   44.561   78.577   36.351 41.04007 57.50710 
1 1 1   14   33    3 o  113.880   31.483   6.2910   2.9557   6.4404   4.4547   6.1735   3.9505  113.724   45.445  114.035   43.582 -0.3112259 62.96527 
1 1 1   14   33    5 o  165.983   42.378   19.802   5.1785   20.628   8.2130   19.257   6.6718  157.636   62.112  174.330   57.669 -16.69386 84.75615 
1 1 1   14   33    7 o  297.827   22.690   33.121   3.8111   33.890   5.8102   32.541   5.0491  295.294   34.502  300.360   29.476 -5.066193 45.37900 
1 1 1   14   33    9 o  201.257   31.492   19.686   3.6450   15.331   5.1009   24.230   5.2103  163.897   50.010  238.618   38.289 -74.72031 62.98416 
1 1 1   14   33   11 o   61.223   29.291  -2.9668   2.7131 -14.7910   7.7161  -1.2988   2.8981  ?   ?    61.223   29.291      ?      ? 
1 1 1   14   34    0 o   41.713   21.289  -4.9505   3.6579  -4.9505   3.6579  -4.9505   3.6579   41.713   30.107   41.713   30.107 0.000000 0.000000 
1 1 1   14   34    2 o  148.087   34.344   12.440   3.3615   11.821   4.8068   13.033   4.7027  142.089   48.948  154.085   48.188 -11.99576 68.68797 
1 1 1   14   34    4 o  117.525   30.166   7.5364   2.9657   3.7456   4.4753   10.505   3.9601   91.657   41.153  143.394   44.118 -51.73702 60.33240 
1 1 1   14   34    6 o   90.141   30.571   2.4743   4.1775   8.9593   7.1307  -0.9146   5.1547  104.075   48.609   76.207   37.087 27.86772 61.14136 
1 1 1   15    0    1 o  1937.34   17.482  1072.80   27.304  1072.80   27.304  1072.80   27.304  1937.34   24.723  1937.34   24.723 -0.000000 0.000000 
1 1 1   15    0    3 o  388.538   8.4402   43.187   2.6392   43.187   2.6392   43.187   2.6392  388.538   11.936  388.538   11.936 -0.000000 0.000000 
1 1 1   15    0    5 o  1716.74   17.051  842.425   23.598  842.425   23.598  842.425   23.598  1716.74   24.114  1716.74   24.114 -0.000000 0.000000 
1 1 1   15    0    7 o  356.074   13.357   36.499   3.8112   36.499   3.8112   36.499   3.8112  356.074   18.890  356.074   18.890 0.000000 0.000000 
1 1 1   15    0    9 o  325.634   14.427   30.634   3.7549   30.634   3.7549   30.634   3.7549  325.634   20.403  325.634   20.403 0.000000 0.000000 
1 1 1   15    0   13 o  1913.05   21.346  1048.95   32.916  1048.95   32.916  1048.95   32.916  1913.05   30.188  1913.05   30.188 -0.000000 0.000000 
1 1 1   15    0   15 o  350.180   17.028   35.584   4.7569   35.584   4.7569   35.584   4.7569  350.180   24.082  350.180   24.082 0.000000 0.000000 
1 1 1   15    0   17 o   88.684   39.856   0.8669   6.2264   0.8669   6.2264   0.8669   6.2264   88.684   56.365   88.684   56.365 0.000000 0.000000 
1 1 1   15    0   19 o   88.177   37.217   2.5073   4.6778   2.5073   4.6778   2.5073   4.6778   88.177   52.633   88.177   52.633 -0.000000 0.000000 
1 1 1   15    0   21 o  430.147   16.649   53.644   5.7362   53.644   5.7362   53.644   5.7362  430.147   23.545  430.147   23.545 -0.000000 0.000000 
1 1 1   15    0   23 o  353.902   18.693   36.834   5.2670   36.834   5.2670   36.834   5.2670  353.902   26.436  353.902   26.436 -0.000000 0.000000 
1 1 1   15    0   25 o   79.806   31.992   2.6443   3.1831   2.6443   3.1831   2.6443   3.1831   79.806   45.244   79.806   45.244 -0.000000 0.000000 
1 1 1   15    0   27 o  111.510   41.411   6.0882   4.9263   6.0882   4.9263   6.0882   4.9263  111.510   58.565  111.510   58.565 -0.000000 0.000000 
1 1 1   15    0   29 o  150.217   35.540   9.1444   3.8407   9.1444   3.8407   9.1444   3.8407  150.217   50.262  150.217   50.262 -0.000000 0.000000 
1 1 1   15    0   31 o   83.215   34.580   3.6466   3.9278   3.6466   3.9278   3.6466   3.9278   83.215   48.904   83.215   48.904 0.000000 0.000000 
1 1 1   15    0   33 o   60.484   27.443   1.3393   3.0400   1.3393   3.0400   1.3393   3.0400   60.484   38.811   60.484   38.811 -0.000000 0.000000 
1 1 1   15    1    0 o  1122.47   16.152  360.298   14.609  360.298   14.609  360.298   14.609  1122.47   22.843  1122.47   22.843 0.000000 0.000000 
1 1 1   15    1    2 o  729.950   18.489  150.030   6.7601  157.959   13.391  147.318   7.8314  741.947   31.647  717.953   19.127 23.99445 36.97803 
1 1 1   15    1    4 o  477.222   15.723   65.040   4.2791   65.040   4.2791   0.0000   0.0000  477.222   15.723  ?   ?       ?      ? 
1 1 1   15    1    6 o  887.807   14.983  225.694   7.4113  226.789   9.5279  224.017   11.793  890.814   18.755  884.801   23.372 6.013306 29.96634 
1 1 1   15    1    8 o  922.965   15.888  243.173   8.3338  250.249   12.381  237.311   11.269  935.107   23.216  910.823   21.695 24.28339 31.77511 
1 1 1   15    1   10 o  679.588   34.638  132.877   13.424   0.0000   0.0000  132.877   13.424  ?   ?   679.588   34.638      ?      ? 
1 1 1   15    1   12 o  356.795   24.860   36.498   5.0584   0.0000   0.0000   36.498   5.0584  ?   ?   356.795   24.860      ?      ? 
1 1 1   15    1   14 o  285.942   27.681   26.936   3.8124   17.064   6.4888   32.141   4.7113  237.270   49.553  334.615   24.689 -97.34494 55.36296 
1 1 1   15    1   16 o  523.282   17.155   78.897   4.4531   79.087   5.1594   78.340   8.8180  525.573   17.214  520.990   29.679 4.582520 34.30952 
1 1 1   15    1   18 o  333.184   24.122   32.113   4.2517   31.770   5.1229   32.873   7.6212  331.605   27.090  334.762   39.921 -3.156403 48.24421 
1 1 1   15    1   20 o  487.926   17.007   68.779   4.7317   68.098   6.6241   69.489   6.7611  485.494   23.925  490.359   24.178 -4.865112 34.01416 
1 1 1   15    1   22 o  306.927   20.553   28.261   3.4447   30.063   4.3799   25.339   5.5774  321.476   23.890  292.378   33.450 29.09866 41.10522 
1 1 1   15    1   24 o  103.841   28.828   2.3194   2.4900   2.4567   3.3788   2.1561   3.6838  103.749   40.136  103.934   41.392 -0.1853027 57.65594 
1 1 1   15    1   26 o  266.921   19.924   22.209   2.8889   28.889   4.0287   15.139   4.1448  312.296   22.620  221.546   32.805 90.74960 39.84813 
1 1 1   15    1   28 o  105.931   28.964   0.1942   3.0499  -5.8787   4.1139   7.6056   4.5447   67.796   33.024  144.066   47.593 -76.27010 57.92863 
1 1 1   15    1   30 o  103.708   29.295   2.9208   2.6668   0.8977   3.4814   5.7935   4.1485   85.478   37.433  121.938   45.073 -36.45949 58.58994 
1 1 1   15    1   32 o   86.445   27.282   0.8978   3.0089   4.1378   3.9177  -3.7616   4.6981  100.787   41.727   72.103   35.159 28.68332 54.56487 
1 1 1   15    2    1 o  1596.01   20.628  732.118   17.689  724.527   30.581  735.935   21.685  1588.33   33.762  1603.69   23.711 -15.35852 41.25602 
1 1 1   15    2    3 o  191.697   32.336   10.874   3.3465   10.600   4.1091   11.415   5.7667  188.426   39.502  194.967   51.206 -6.541000 64.67206 
1 1 1   15    2    5 o  508.378   19.993   73.902   5.0220   73.732   5.7987   74.411   10.045  507.857   20.021  508.898   34.611 -1.041168 39.98512 
1 1 1   15    2    7 o  1077.89   15.139  335.330   9.0571  346.392   11.657  318.480   14.387  1100.93   18.567  1054.85   23.916 46.07922 30.27700 
1 1 1   15    2    9 o  817.562   20.921  195.192   9.1464  202.141   11.255  181.678   15.696  840.312   23.485  794.813   34.629 45.49878 41.84143 
1 1 1   15    2   13 o  807.003   15.188  186.406   6.9855  182.769   9.6780  190.362   10.093  798.831   21.244  815.175   21.711 -16.34448 30.37558 
1 1 1   15    2   15 o  796.242   15.137  181.817   6.8724  183.193   9.8144  180.494   9.6263  799.168   21.534  793.315   21.277 5.853516 30.27310 
1 1 1   15    2   17 o  612.016   14.626  107.428   5.0913  106.471   6.9372  108.545   7.4955  609.200   19.968  614.832   21.377 -5.632263 29.25227 
1 1 1   15    2   19 o  173.000   27.301   9.8362   2.6260   12.075   3.2754   5.8081   4.3937  204.111   28.139  141.889   46.792 62.22179 54.60123 
1 1 1   15    2   21 o  298.971   17.351   25.929   2.9571   26.105   4.2523   25.765   4.1149  299.879   24.865  298.062   24.208 1.817688 34.70276 
1 1 1   15    2   23 f  237.918   28.890   17.775   3.7668   15.667   5.6062   19.510   5.0858  221.039   45.972  254.798   35.000 -33.75861 57.77967 
1 1 1   15    2   25 o  175.407   37.011   9.8141   3.4991   12.297   7.4990   9.1230   3.9563  184.085   61.151  166.729   41.712 17.35637 74.02242 
1 1 1   15    2   27 o  210.219   58.936   17.288   7.3504   0.0000   0.0000   17.288   7.3504  ?   ?   210.219   58.936      ?      ? 
1 1 1   15    2   29 o  115.529   29.616   4.3978   2.6889   6.7055   3.7061   1.8326   3.9073  134.752   42.862   96.306   40.883 38.44548 59.23293 
1 1 1   15    2   31 o  132.673   31.340   7.5407   2.7817   7.7730   4.0489   7.3330   3.8281  133.884   44.942  131.461   43.692 2.423050 62.68017 
1 1 1   15    2   33 o   90.381   25.777   3.0527   2.1610   1.0745   3.0341   5.0895   3.0786   75.512   33.896  105.250   38.843 -29.73840 51.55312 
1 1 1   15    3    0 o  1212.28   16.248  420.199   15.873  420.199   15.873  420.199   15.873  1212.28   22.978  1212.28   22.978 0.000000 0.000000 
1 1 1   15    3    2 o  353.751   21.422   35.287   3.8137   34.628   4.4293   37.174   7.4989  347.940   22.322  359.562   36.570 -11.62192 42.84473 
1 1 1   15    3    4 o  1163.42   32.078  388.480   21.283  388.480   21.283   0.0000   0.0000  1163.42   32.078  ?   ?       ?      ? 
1 1 1   15    3    6 o  1537.30   19.747  686.260   14.878  695.109   17.177  659.688   29.767  1559.43   19.315  1515.17   34.449 44.26172 39.49466 
1 1 1   15    3    8 o  553.899   18.068   87.925   5.6998   82.330   8.0300   93.607   8.0919  536.058   26.267  571.740   24.818 -35.68274 36.13688 
1 1 1   15    3   10 o  321.646   26.803   32.352   3.7829   25.877   8.3530   34.023   4.2430  298.486   49.071  344.806   21.578 -46.32010 53.60597 
1 1 1   15    3   12 o  482.962   23.164   66.756   5.4531   67.949   11.149   66.381   6.2519  484.570   40.345  481.354   22.775 3.215546 46.32896 
1 1 1   15    3   14 o  360.556   20.523   35.264   4.0184   44.600   7.1148   30.891   4.8694  393.238   31.726  327.874   26.042 65.36395 41.04526 
1 1 1   15    3   16 o  1027.92   17.610  303.935   10.323  304.526   14.574  303.341   14.624  1028.95   24.837  1026.89   24.972 2.053589 35.22092 
1 1 1   15    3   18 o  582.805   13.709   97.147   4.4677   99.521   7.0866   95.580   5.7557  588.307   21.122  577.303   17.482 11.00415 27.41876 
1 1 1   15    3   20 o  251.256   21.520   16.707   2.9375   12.583   3.5715   25.329   5.1646  207.807   30.137  294.705   30.729 -86.89749 43.04067 
1 1 1   15    3   22 o  315.416   19.787   29.322   3.3128   29.570   4.0248   28.801   5.8334  319.157   22.113  311.675   32.819 7.481995 39.57365 
1 1 1   15    3   24 o  311.204   21.571   28.692   3.8010   24.498   5.1060   33.906   5.6925  285.553   31.354  336.856   29.633 -51.30322 43.14138 
1 1 1   15    3   26 o  264.988   20.900   21.345   3.0638   15.255   4.1794   28.420   4.5046  222.070   33.001  307.906   25.654 -85.83641 41.79929 
1 1 1   15    3   28 o  141.796   53.308   7.5586   5.8513   0.0000   0.0000   7.5586   5.8513  ?   ?   141.796   53.308      ?      ? 
1 1 1   15    3   30 o   76.576   24.736  -1.3486   2.6227   1.4084   3.1388  -7.7254   4.7736   85.754   36.529   67.397   33.363 18.35636 49.47235 
1 1 1   15    3   32 o   93.730   28.091   3.1705   2.5429   3.5240   3.0110   2.2911   4.7487   95.518   37.617   91.942   41.730 3.576241 56.18195 
1 1 1   15    4    1 o  455.105   15.927   59.254   4.0388   59.278   5.1872   59.218   6.4363  455.375   19.974  454.836   24.813 0.5395508 31.85386 
1 1 1   15    4    3 f  132.235   21.456   4.8744   1.5576   3.6810   1.9541   6.9538   2.5794  111.442   30.057  153.028   30.626 -41.58574 42.91139 
1 1 1   15    4    5 f  586.617   23.756   98.483   7.9474   98.483   7.9474   0.0000   0.0000  586.617   23.756  ?   ?       ?      ? 
1 1 1   15    4    7 o  1852.56   35.007  986.752   36.984   0.0000   0.0000  986.752   36.984  ?   ?   1852.56   35.007      ?      ? 
1 1 1   15    4    9 o  523.081   22.156   78.169   6.0822   77.523   7.2804   79.661   11.066  520.256   24.538  525.907   36.898 -5.650879 44.31254 
1 1 1   15    4   11 o  514.017   19.197   75.057   5.0482   77.538   9.6234   74.114   5.9295  519.120   32.506  508.913   20.431 10.20670 38.39364 
1 1 1   15    4   13 o  508.975   20.087   74.505   5.8261   70.853   8.2076   78.214   8.2714  496.312   28.998  521.638   27.805 -25.32623 40.17429 
1 1 1   15    4   15 o  835.662   14.859  200.032   7.0540  203.137   10.482  197.462   9.5367  841.385   21.845  829.939   20.149 11.44623 29.71845 
1 1 1   15    4   17 o  430.257   20.361   51.449   4.6135   48.408   5.4782   58.867   8.5556  410.200   23.418  450.314   33.315 -40.11343 40.72228 
1 1 1   15    4   19 o  512.835   15.166   75.835   4.3836   75.054   6.7125   76.415   5.7884  510.137   23.073  515.534   19.688 -5.396973 30.33153 
1 1 1   15    4   21 o  279.923   22.197   23.265   3.4681   24.370   4.5359   21.710   5.3808  288.968   27.524  270.879   34.832 18.08945 44.39447 
1 1 1   15    4   23 o  225.788   22.950   13.060   2.6832   10.362   3.0996   21.129   5.3601  186.999   29.065  264.577   35.524 -77.57785 45.89938 
1 1 1   15    4   25 o  112.490   29.834   3.4523   2.5806   3.9981   3.2806   2.5665   4.1797  115.621   40.403  109.359   43.906 6.262245 59.66719 
1 1 1   15    4   27 o  159.348   37.862   8.9267   3.8913   7.3802   4.7701   12.004   6.7281  144.125   48.778  174.571   57.920 -30.44595 75.72322 
1 1 1   15    4   29 o  150.682   35.286   8.2796   3.6604   14.422   5.9177   4.4731   4.6585  185.609   53.177  115.754   46.396 69.85568 70.57168 
1 1 1   15    4   31 o   83.632   25.890   1.1898   2.4235   2.5066   2.8806  -2.0002   4.4836   89.651   36.289   77.613   36.937 12.03815 51.78094 
1 1 1   15    4   33 o   70.751   22.486  -0.1697   2.0291   2.7952   2.9186  -2.9433   2.8228   85.636   35.781   55.866   27.244 29.76941 44.97222 
1 1 1   15    5    0 o  722.035   16.196  149.350   9.4096  149.350   9.4096  149.350   9.4096  722.035   22.904  722.035   22.904 -0.000000 0.000000 
1 1 1   15    5    2 f  1358.95   18.844  527.327   12.673  525.660   14.641  532.310   25.308  1356.20   18.930  1361.70   32.590 -5.499512 37.68875 
1 1 1   15    5    4 o  1942.89   21.478  1083.72   22.419  1085.52   27.458  1080.10   38.831  1947.27   24.726  1938.50   35.125 8.768555 42.95513 
1 1 1   15    5    6 o  1475.07   34.023  625.263   28.621  625.263   28.621   0.0000   0.0000  1475.07   34.023  ?   ?       ?      ? 
1 1 1   15    5    8 o  145.661   31.438   6.3617   3.4065   10.037   3.9654  -3.9885   6.6548  183.186   39.146  108.136   49.203 75.05019 62.87524 
1 1 1   15    5   10 o  203.086   34.027   13.885   3.6125   15.842   4.1385   7.6203   7.4037  234.791   30.908  171.381   60.631 63.40982 68.05448 
1 1 1   15    5   12 o  395.352   25.834   44.029   5.2297   42.664   6.1222   47.713   10.059  385.362   27.858  405.343   43.515 -19.98132 51.66837 
1 1 1   15    5   14 o  414.101   23.348   49.649   5.4251   38.705   7.4936   61.702   7.8642  365.541   35.947  462.662   29.806 -97.12039 46.69641 
1 1 1   15    5   16 o  892.443   16.833  229.392   8.5188  225.221   12.677  232.826   11.503  884.610   25.128  900.276   22.406 -15.66571 33.66679 
1 1 1   15    5   18 o  507.964   17.595   74.669   3.9148   74.778   4.3274   74.174   9.1867  510.983   14.850  504.944   31.902 6.038696 35.18934 
1 1 1   15    5   20 o  449.366   15.368   58.228   3.9347   59.747   5.7128   56.858   5.4272  454.859   22.023  443.872   21.440 10.98709 30.73575 
1 1 1   15    5   22 o  372.735   17.948   42.512   3.5219   46.408   4.3574   35.170   5.9812  400.546   19.076  344.925   30.407 55.62152 35.89507 
1 1 1   15    5   24 o   83.041   26.398  -3.1067   2.2996  -4.9172   2.6463   2.4769   4.6473   52.908   25.924  113.174   45.992 -60.26614 52.79559 
1 1 1   15    5   26 o  181.477   31.274   10.775   3.0935   9.5084   3.8231   13.178   5.2647  168.800   40.276  194.153   47.855 -25.35329 62.54774 
1 1 1   15    5   28 o  154.378   33.752   8.4057   2.9190   7.8744   3.3088   10.270   6.1993  150.688   38.394  158.068   55.523 -7.380127 67.50488 
1 1 1   15    5   30 o   98.723   30.835   1.9937   3.4585   0.3631   5.0997   3.3823   4.7060   92.633   42.497  104.812   44.690 -12.17971 61.67001 
1 1 1   15    5   32 o   93.474   29.835   2.8110   3.2255   2.2879   3.9455   3.8651   5.6003   88.345   39.219   98.602   44.970 -10.25694 59.66906 
1 1 1   15    6    1 o  1465.45   20.040  611.254   15.836  602.568   19.391  628.651   27.442  1451.12   23.431  1479.78   32.518 -28.65601 40.08051 
1 1 1   15    6    3 o  489.721   10.473   68.481   2.9237   68.404   4.0739   68.562   4.1983  489.449   14.595  489.994   15.024 -0.5444031 20.94618 
1 1 1   15    6    5 o  650.465   19.296  121.670   6.1799  122.087   7.1336  120.413   12.372  653.535   19.140  647.395   33.511 6.139648 38.59217 
1 1 1   15    6    7 o  878.286   31.126  221.481   15.590  221.481   15.590   0.0000   0.0000  878.286   31.126  ?   ?       ?      ? 
1 1 1   15    6    9 o  237.928   33.485   17.375   3.8964   18.064   4.5233   15.393   7.6718  250.703   31.637  225.152   59.027 25.55048 66.97070 
1 1 1   15    6   11 o  307.716   28.314   27.201   4.9688   27.201   4.9688   0.0000   0.0000  307.716   28.314  ?   ?       ?      ? 
1 1 1   15    6   13 o  552.662   17.629   88.442   5.2985   90.224   6.6070   85.229   8.8696  561.143   20.646  544.180   28.580 16.96246 35.25757 
1 1 1   15    6   15 o  593.276   17.667  100.739   5.7262   99.505   7.1204  102.997   9.6340  588.880   21.202  597.673   28.265 -8.793091 35.33357 
1 1 1   15    6   17 o  263.520   29.138   21.630   3.7202   18.722   6.9872   22.781   4.3949  246.292   51.407  280.747   27.450 -34.45522 58.27666 
1 1 1   15    6   19 o  440.861   12.977   56.033   3.2513   52.452   4.6926   59.340   4.5091  427.095   19.266  454.626   17.392 -27.53131 25.95470 
1 1 1   15    6   21 o  154.591   27.126   7.2168   2.3840   5.6442   3.1428   9.3483   3.6588  135.417   38.739  173.764   37.982 -38.34659 54.25262 
1 1 1   15    6   23 o  430.534   14.660   56.059   3.4012   61.703   4.3103   46.746   5.5368  462.079   16.357  398.988   24.333 63.09143 29.31988 
1 1 1   15    6   25 o  150.747   31.356   7.2330   2.8723   5.3812   3.6983   10.048   4.5598  129.464   42.941  172.029   45.703 -42.56407 62.71102 
1 1 1   15    6   27 o  104.838   31.980   0.8248   2.9649  -0.3900   3.3761   4.9214   6.1994   80.951   36.087  128.724   52.807 -47.77299 63.95956 
1 1 1   15    6   29 o  139.338   28.847   7.6097   2.6717   9.9479   3.4437   4.0747   4.2343  167.882   36.969  110.794   44.295 57.08829 57.69485 
1 1 1   15    6   31 o  112.254   35.887   4.0287   4.5385   12.738   8.1300   0.0857   5.4702  135.469   58.275   89.039   41.900 46.43046 71.77435 
1 1 1   15    6   33 o   71.634   25.327  -5.2766   4.2399  -3.1517   5.1052 -10.0004   7.6118   71.367   35.173   71.902   36.452 -0.5350876 50.65448 
1 1 1   15    7    0 o  782.715   15.989  175.420   10.074  175.420   10.074  175.420   10.074  782.715   22.612  782.715   22.612 0.000000 0.000000 
1 1 1   15    7    2 o  716.958   16.109  147.318   6.5735  137.646   9.3388  156.816   9.2546  693.504   23.613  740.411   21.917 -46.90692 32.21712 
1 1 1   15    7    4 o  773.190   19.952  172.350   8.2470  168.591   14.356  174.202   10.075  766.121   32.859  780.259   22.642 -14.13861 39.90487 
1 1 1   15    7    6 o  598.455   13.413  101.848   4.5482   97.938   6.0487  106.936   6.8993  585.373   18.119  611.536   19.783 -26.16248 26.82642 
1 1 1   15    7    8 o  434.310   25.008   54.049   6.1940   54.049   6.1940   0.0000   0.0000  434.310   25.008  ?   ?       ?      ? 
1 1 1   15    7   10 o  407.344   20.853   43.973   3.0551   42.973   3.2260   52.668   9.5115  387.836   14.586  426.851   39.073 -39.01443 41.70676 
1 1 1   15    7   12 f  119.730   38.944   4.0223   3.0473   4.0223   3.0473   0.0000   0.0000  119.730   38.944  ?   ?       ?      ? 
1 1 1   15    7   14 o  125.464   35.814   0.8598   2.3997   0.2538   2.5083   7.4022   8.2414   78.514   33.011  172.413   63.568 -93.89968 71.62778 
1 1 1   15    7   16 o  193.795   33.496   10.661   3.2211   9.9317   3.6628   13.150   6.7667  181.555   36.639  206.035   56.085 -24.47955 66.99216 
1 1 1   15    7   18 f  496.367   21.099   74.093   5.5231   78.955   6.7815   64.515   9.5185  523.343   22.722  469.392   35.558 53.95047 42.19818 
1 1 1   15    7   20 o  535.436   15.906   82.425   4.8392   76.435   6.5138   89.804   7.2293  513.967   22.223  556.905   22.763 -42.93805 31.81201 
1 1 1   15    7   22 o  118.457   26.051   3.1062   2.1514   0.3142   2.7262   7.7154   3.5028   80.593   34.178  156.322   39.327 -75.72897 52.10289 
1 1 1   15    7   24 f  133.647   29.425   5.7773   2.5159   6.6890   3.3629   4.6183   3.7917  143.637   39.721  123.658   43.424 19.97926 58.85048 
1 1 1   15    7   26 o  139.590   35.842   4.7457   3.2822   2.6118   3.7451   11.812   6.8152  104.495   41.698  174.684   58.309 -70.18871 71.68396 
1 1 1   15    7   28 o  112.714   28.490   3.2780   2.4282   0.7683   3.0601   7.5453   3.9903   83.109   35.751  142.319   44.369 -59.21035 56.98027 
1 1 1   15    7   30 o  101.218   29.325   2.3477   2.7196  -0.1817   3.3996   6.8439   4.5325   77.251   35.156  125.184   46.946 -47.93361 58.65036 
1 1 1   15    7   32 o   65.869   22.288  -2.0602   2.4539   0.1801   2.8045  -9.3786   5.0688   69.751   31.816   61.986   31.221 7.764847 44.57626 
1 1 1   15    8    1 o  721.377   16.110  148.752   6.6239  154.657   9.5453  143.268   9.1995  735.172   22.767  707.582   22.798 27.59027 32.21928 
1 1 1   15    8    3 o  781.410   15.081  175.096   6.6624  171.178   10.046  178.172   8.9018  773.415   22.776  789.405   19.774 -15.99011 30.16169 
1 1 1   15    8    5 o  1154.27   23.121  382.837   15.219  377.836   21.450  387.907   21.597  1146.65   32.802  1161.89   32.594 -15.23853 46.24216 
1 1 1   15    8    7 o  1079.51   19.548  336.405   11.411  327.478   19.388  341.136   14.114  1067.43   31.849  1091.59   22.673 -24.16052 39.09503 
1 1 1   15    8    9 o  124.800   35.976   4.5906   2.7010   4.5906   2.7010   0.0000   0.0000  124.800   35.976  ?   ?       ?      ? 
1 1 1   15    8   11 o  723.614   18.050  149.814   7.4486  149.814   7.4486   0.0000   0.0000  723.614   18.050  ?   ?       ?      ? 
1 1 1   15    8   13 o  1213.60   20.799  430.319   11.856  434.802   13.439  414.585   25.180  1231.93   19.129  1195.27   36.940 36.66235 41.59879 
1 1 1   15    8   15 o  722.096   20.727  146.554   7.2884  142.934   8.3161  158.545   15.135  705.724   20.663  738.469   35.938 -32.74548 41.45467 
1 1 1   15    8   17 o  586.949   16.579   96.508   4.8776   93.554   5.6387  105.288   9.7213  571.074   17.314  602.824   28.278 -31.74988 33.15709 
1 1 1   15    8   19 o  339.824   20.204   33.418   3.8945   31.640   5.1961   35.698   5.8831  329.808   27.626  349.841   29.488 -20.03311 40.40713 
1 1 1   15    8   21 o  265.610   28.252   22.195   4.0323   17.521   5.9956   26.054   5.4486  234.906   46.401  296.314   32.243 -61.40857 56.50381 
1 1 1   15    8   23 o  323.392   23.393   35.467   3.5896   23.680   6.6150   40.387   4.2735  274.676   42.229  372.109   20.138 -97.43265 46.78535 
1 1 1   15    8   25 f   97.890   30.235   0.2395   3.2263  -1.0854   4.6039   1.5182   4.5227   91.667   41.395  104.114   44.079 -12.44718 60.46915 
1 1 1   15    8   27 o  142.898   35.412   7.5380   3.4542   7.4554   4.1993   7.7110   6.0744  143.097   45.636  142.699   54.160 0.3980560 70.82391 
1 1 1   15    8   29 o   91.915   29.348  -1.4790   2.6278  -3.4613   2.9412   6.3654   5.8508   59.414   28.700  124.415   51.200 -65.00075 58.69536 
1 1 1   15    8   31 o   71.416   23.922  -1.5903   2.4370  -2.7619   3.0286   0.5614   4.1044   60.516   29.206   82.315   37.897 -21.79814 47.84463 
1 1 1   15    8   33 o   57.174   19.329  -1.4921   1.7942  -2.4324   2.6101  -0.6498   2.4704   54.243   26.396   60.105   28.244 -5.862217 38.65876 
1 1 1   15    9    0 o  422.586   18.424   51.620   6.2245   51.620   6.2245   51.620   6.2245  422.586   26.055  422.586   26.055 -0.000000 0.000000 
1 1 1   15    9    2 o  916.964   15.816  240.622   8.2706  242.363   11.684  238.874   11.709  920.303   22.262  913.625   22.473 6.678162 31.63264 
1 1 1   15    9    4 o  339.947   26.974   33.297   5.2250   33.584   7.5600   33.036   7.2297  341.279   38.844  338.616   37.439 2.663300 53.94883 
1 1 1   15    9    6 o  665.249   20.013  125.947   7.0119  124.286   8.4065  129.744   12.712  658.893   22.372  671.605   33.190 -12.71149 40.02579 
1 1 1   15    9    8 o  1147.72   16.578  378.024   10.830  365.553   15.640  389.513   15.012  1129.30   24.285  1166.14   22.573 -36.83472 33.15556 
1 1 1   15    9   10 o  436.639   14.667   53.839   3.5991   50.413   4.6488   58.964   5.6863  419.663   19.425  453.615   21.981 -33.95221 29.33397 
1 1 1   15    9   12 o  285.469   28.423   23.474   4.6273   23.474   4.6273   0.0000   0.0000  285.469   28.423  ?   ?       ?      ? 
1 1 1   15    9   14 o  321.499   27.287   24.399   3.5582   22.350   3.7972   39.158   10.192  278.802   23.882  364.196   49.072 -85.39359 54.57473 
1 1 1   15    9   16 o  285.903   36.531   22.348   3.9516   21.459   4.2172   28.748   11.313  272.404   27.147  299.402   67.831 -26.99875 73.06107 
1 1 1   15    9   18 o  774.365   17.243  172.106   7.1922  177.337   12.485  169.507   8.7989  781.384   28.017  767.347   20.107 14.03754 34.48562 
1 1 1   15    9   20 o  297.712   23.605   26.372   3.9819   27.583   5.4213   24.952   5.8677  305.914   31.075  289.509   35.540 16.40552 47.20910 
1 1 1   15    9   22 o  155.511   38.535   5.1161   3.9356   14.016   7.8677   2.1459   4.5451  199.826   62.302  111.197   45.369 88.62944 77.07098 
1 1 1   15    9   24 o  158.678   37.987   7.8863   3.5230   10.402   7.8489   7.2515   3.9425  169.848   62.124  147.509   43.734 22.33922 75.97409 
1 1 1   15    9   26 o  138.625   54.333   6.5713   6.2542   0.0000   0.0000   6.5713   6.2542  ?   ?   138.625   54.333      ?      ? 
1 1 1   15    9   28 o   92.211   29.445   1.0913   2.5296   1.6303   2.6804  -3.2963   7.6477   85.200   34.811   99.221   47.499 -14.02108 58.88971 
1 1 1   15    9   30 o  100.504   27.149   3.8417   2.2566   4.7375   2.6528   1.4967   4.2923  111.100   36.346   89.908   40.340 21.19219 54.29813 
1 1 1   15    9   32 o   76.808   24.703  -0.6793   2.1281  -2.9240   2.4952   5.3103   4.0759   52.206   25.493  101.411   42.320 -49.20495 49.40546 
1 1 1   15   10    1 f  1280.14   16.096  469.056   11.747  451.545   16.510  487.009   16.717  1255.89   23.051  1304.40   22.473 -48.51501 32.19284 
1 1 1   15   10    3 o  669.426   16.046  128.181   6.1230  123.827   8.5184  132.835   8.8074  657.673   22.712  681.179   22.672 -23.50513 32.09145 
1 1 1   15   10    5 o  1728.52   24.179  860.105   23.834  863.886   33.844  856.386   33.569  1732.26   34.259  1724.79   34.128 7.473267 48.35736 
1 1 1   15   10    7 o  928.825   15.952  247.184   8.4378  230.437   11.852  264.398   12.016  896.797   23.174  960.852   21.928 -64.05499 31.90372 
1 1 1   15   10    9 o  713.466   19.261  141.287   7.5945  127.625   9.4517  166.177   12.758  666.904   24.852  760.028   29.434 -93.12390 38.52217 
1 1 1   15   10   11 o  158.788   39.719   7.6120   3.5876   7.6120   3.5876   0.0000   0.0000  158.788   39.719  ?   ?       ?      ? 
1 1 1   15   10   13 f  799.156   18.497  171.200   6.6302  163.937   7.3058  205.115   15.787  756.685   16.930  841.626   32.892 -84.94031 36.99336 
1 1 1   15   10   15 o  436.120   25.878   52.942   4.8678   51.607   5.3273   59.691   11.980  423.557   22.055  448.683   46.821 -25.12573 51.75511 
1 1 1   15   10   17 o  323.362   29.672   21.674   4.0542   18.007   4.3296   47.775   11.551  248.725   30.524  398.000   50.891 -149.2742 59.34321 
1 1 1   15   10   19 o  461.006   17.834   62.023   4.6291   60.519   7.0840   63.143   6.1155  455.337   27.281  466.675   22.978 -11.33832 35.66853 
1 1 1   15   10   21 o  191.428   39.960   12.163   4.4595   12.482   8.0031   12.020   5.3705  191.319   63.155  191.536   48.976 -0.2173004 79.91953 
1 1 1   15   10   23 o  166.020   39.727   7.8590   4.1293   14.695   7.9581   5.3406   4.8304  198.941   62.758  133.098   48.727 65.84258 79.45411 
1 1 1   15   10   27 o  125.811   41.933   0.1235   8.0107   6.9742   11.145  -7.1976   11.522  140.092   63.717  111.530   54.531 28.56165 83.86545 
1 1 1   15   10   29 o  176.325   27.001   11.250   2.5760   10.118   3.2587   13.136   4.2060  167.679   35.199  184.971   40.954 -17.29233 54.00159 
1 1 1   15   10   31 o   85.275   26.924   1.1165   2.4131  -0.5020   2.8554   5.1599   4.5133   67.072   31.136  103.478   43.934 -36.40570 53.84830 
1 1 1   15   11    0 o  205.742   34.815   14.042   5.0115   14.042   5.0115   14.042   5.0115  205.742   49.236  205.742   49.236 -0.000000 0.000000 
1 1 1   15   11    2 o  1244.50   16.131  443.512   11.448  439.973   16.169  447.069   16.212  1239.51   22.874  1249.49   22.752 -9.983521 32.26221 
1 1 1   15   11    4 o  1557.73   23.671  698.677   21.026  691.887   29.868  705.348   29.604  1550.09   33.787  1565.38   33.162 -15.28711 47.34192 
1 1 1   15   11    6 f  370.631   22.350   38.785   4.5312   37.005   5.6021   42.154   7.7056  358.993   27.363  382.270   35.346 -23.27679 44.70045 
1 1 1   15   11    8 f  767.074   14.893  169.385   6.3543  164.718   10.102  172.441   8.1740  757.876   23.372  776.273   18.464 -18.39685 29.78545 
1 1 1   15   11   10 o  571.805   24.807   93.940   8.0894   93.940   8.0894   0.0000   0.0000  571.805   24.807  ?   ?       ?      ? 
1 1 1   15   11   12 o  681.670   15.237  133.722   5.8727  136.211   7.8528  130.562   8.8464  689.202   19.979  674.139   23.010 15.06317 30.47376 
1 1 1   15   11   14 o  421.391   24.720   47.106   4.1597   45.391   4.4610   58.530   11.514  397.642   19.672  445.139   45.358 -47.49655 49.44048 
1 1 1   15   11   16 o  345.904   25.485   34.303   4.7906   37.626   8.2710   32.625   5.8766  356.956   40.631  334.853   30.774 22.10336 50.96931 
1 1 1   15   11   18 o  246.368   37.632   18.980   5.0548   21.411   8.0238   17.380   6.5088  258.203   56.095  234.534   50.180 23.66884 75.26469 
1 1 1   15   11   20 o  164.788   31.460   8.6587   3.0360   9.6929   4.3454   7.6724   4.2437  174.233   43.785  155.343   45.185 18.88962 62.91921 
1 1 1   15   11   22 o  172.471   35.071   10.578   3.7303   12.452   4.5489   6.7295   6.5183  196.003   41.962  148.938   56.207 47.06494 70.14265 
1 1 1   15   11   24 o   71.335   24.469  -8.2745   3.2229  -2.2173   4.5105 -14.5932   4.6068   85.788   39.579   56.882   28.784 28.90509 48.93861 
1 1 1   15   11   28 o   73.007   25.178  -4.6365   3.1195  -4.7403   5.5340  -4.5881   3.7768   80.546   39.018   65.467   31.834 15.07996 50.35695 
1 1 1   15   11   30 o  104.709   32.135   3.1186   3.6622   9.8837   5.8355  -1.2769   4.7038  130.144   52.011   79.274   37.757 50.86951 64.27064 
1 1 1   15   11   32 o   81.576   25.146   2.1880   2.5070   4.2409   2.9423  -3.2505   4.7889   94.615   37.210   68.536   33.833 26.07880 50.29114 
1 1 1   15   12    1 o  857.730   15.969  210.805   7.8065  208.452   11.203  213.026   10.884  852.999   23.029  862.461   22.129 -9.461792 31.93839 
1 1 1   15   12    3 f  1019.83   16.070  297.961   9.3459  294.507   13.174  301.460   13.261  1013.87   22.784  1025.79   22.668 -11.92383 32.13974 
1 1 1   15   12    5 o  558.029   23.786   89.774   7.5637   89.842   10.916   89.711   10.490  558.113   34.298  557.946   32.967 0.1667480 47.57283 
1 1 1   15   12    7 o  866.442   15.276  215.271   7.5216  216.600   10.234  213.710   11.092  869.544   20.637  863.339   22.529 6.204468 30.55253 
1 1 1   15   12    9 o  329.446   20.723   31.238   3.8861   34.048   5.6057   28.638   5.3920  343.773   28.593  315.118   30.004 28.65582 41.44662 
1 1 1   15   12   11 o  544.453   20.145   84.907   6.1191   82.718   7.8323   88.335   9.8030  536.106   25.618  552.799   31.096 -16.69238 40.28926 
1 1 1   15   12   13 o  491.377   22.103   61.876   4.4416   58.705   4.7723   82.412   12.143  452.415   18.497  530.339   40.150 -77.92474 44.20608 
1 1 1   15   12   15 o  543.420   32.051   87.531   9.8730  101.472   14.404   75.175   13.560  585.143   43.163  501.697   47.393 83.44638 64.10282 
1 1 1   15   12   17 o  626.754   16.402  113.373   5.8208  111.162   7.7488  116.236   8.8184  620.259   21.906  633.249   24.419 -12.99048 32.80475 
1 1 1   15   12   19 o  177.261   46.906   9.4602   6.2552   10.204   7.6803   7.9944   10.780  178.780   61.856  175.742   70.529 3.037521 93.81159 
1 1 1   15   12   21 o  161.238   42.708   6.9979   6.2871   13.858   7.7605  -6.1045   10.725  197.325   61.934  125.152   58.823 72.17300 85.41650 
1 1 1   15   12   23 o  164.183   46.066   7.8468   6.2724   3.7285   7.7662   15.573   10.637  134.595   57.400  193.772   72.065 -59.17691 92.13122 
1 1 1   15   12   25 o  154.829   59.574   9.4771   7.4129   0.0000   0.0000   9.4771   7.4129  ?   ?   154.829   59.574      ?      ? 
1 1 1   15   12   27 o  125.663   36.922   3.6409   4.0832   12.716   7.6804   0.0653   4.8209  159.032   60.771   92.294   41.950 66.73821 73.84355 
1 1 1   15   12   29 o  149.299   36.236   11.389   3.7973   9.8759   5.5888   12.686   5.1754  136.752   51.939  161.846   50.542 -25.09351 72.47178 
1 1 1   15   12   31 o   95.376   30.051   3.1872   3.5810  -2.0739   4.9927   8.7612   5.1390   74.221   36.204  116.531   47.974 -42.30968 60.10131 
1 1 1   15   13    0 o  219.653   28.109   15.123   4.4956   15.123   4.4956   15.123   4.4956  219.653   39.753  219.653   39.753 0.000000 0.000000 
1 1 1   15   13    2 o  511.590   16.886   75.079   4.9139   82.245   7.0179   68.187   6.8827  535.655   22.974  487.525   24.755 48.12939 33.77285 
1 1 1   15   13    4 o  679.286   16.223  132.324   6.2836  135.064   8.8752  129.570   8.8974  686.382   22.674  672.190   23.210 14.19202 32.44692 
1 1 1   15   13    6 o  1099.69   22.992  349.133   14.414  343.827   20.542  354.279   20.231  1091.26   33.009  1108.13   32.014 -16.87134 45.98361 
1 1 1   15   13    8 o  124.508   30.081   3.6302   2.9548   6.9915   3.8035  -1.4863   4.6925  152.501   42.269   96.516   42.812 55.98470 60.16212 
1 1 1   15   13   10 o  728.335   22.034  153.376   9.1519  152.706   12.946  154.047   12.939  726.717   31.238  729.952   31.082 -3.234619 44.06753 
1 1 1   15   13   12 o  969.403   18.807  265.820   10.076  250.555   12.614  292.739   16.750  932.902   23.710  1005.90   29.200 -73.00220 37.61347 
1 1 1   15   13   14 o  557.614   24.972   94.650   6.5343   97.795   7.4585   84.267   13.552  582.573   22.450  532.655   44.615 49.91809 49.94439 
1 1 1   15   13   16 o  265.132   42.823   20.281   6.3097   12.586   7.7901   34.957   10.758  198.885   61.992  331.379   59.095 -132.4940 85.64608 
1 1 1   15   13   18 f  174.383   37.492   9.6333   4.0657   11.459   6.0475   8.1273   5.4922  187.627   53.758  161.138   52.275 26.48982 74.98443 
1 1 1   15   13   20 o  299.824   39.803   30.960   5.3003   31.620   5.9583   28.455   11.602  324.438   32.203  275.209   72.801 49.22906 79.60508 
1 1 1   15   13   22 o  214.043   41.194   16.470   5.1113   19.119   7.9475   14.601   6.6750  227.052   60.345  201.034   56.093 26.01817 82.38901 
1 1 1   15   13   24 f  186.148   63.106   14.490   7.9840   0.0000   0.0000   14.490   7.9840  ?   ?   186.148   63.106      ?      ? 
1 1 1   15   13   26 o  111.887   32.098   0.0598   4.3881 -17.4395   7.5186   9.0995   5.4039   75.068   37.837  148.706   51.861 -73.63757 64.19688 
1 1 1   15   13   28 o   92.683   31.016  -0.7683   3.3590   4.7568   7.4659  -2.1706   3.7612  113.464   51.816   71.901   34.106 41.56266 62.03283 
1 1 1   15   13   30 o   68.215   23.892  -5.2795   3.4731  -7.0529   5.4198  -4.0438   4.5240   68.100   34.011   68.329   33.565 -0.2290878 47.78393 
1 1 1   15   14    1 o  346.538   18.917   34.620   3.7264   31.966   5.3288   37.160   5.2130  333.367   28.030  359.709   25.412 -26.34198 37.83455 
1 1 1   15   14    3 o  836.167   16.043  200.568   7.6494  198.837   10.860  202.271   10.776  832.547   22.874  839.787   22.500 -7.240662 32.08558 
1 1 1   15   14    5 f  989.222   23.285  282.820   13.131  281.565   18.794  284.016   18.355  986.892   33.394  991.552   32.459 -4.659973 46.56988 
1 1 1   15   14    7 o  358.357   19.862   37.007   4.0471   33.335   5.6525   40.869   5.7970  339.970   29.155  376.744   26.982 -36.77362 39.72412 
1 1 1   15   14    9 o  287.980   30.043   23.889   4.8451   22.343   6.2074   26.298   7.7509  276.789   39.325  299.170   45.430 -22.38107 60.08585 
1 1 1   15   14   11 o  328.892   17.800   31.213   3.1873   31.278   3.9613   31.095   5.3673  329.917   21.055  327.866   28.706 2.050995 35.59938 
1 1 1   15   14   13 o  399.209   21.732   49.043   4.6468   58.355   6.0481   35.627   7.2597  449.776   23.579  348.643   36.513 101.1330 43.46437 
1 1 1   15   14   15 o  218.995   42.154   13.668   4.6895   12.125   5.2967   19.264   10.086  196.763   47.699  241.227   69.517 -44.46358 84.30779 
1 1 1   15   14   17 o  159.122   44.659   6.0125   5.8818   6.1318   7.3407   5.7987   9.8307  154.301   59.304  163.944   66.789 -9.643341 89.31826 
1 1 1   15   14   19 o  114.901   35.454  -0.1906   4.5476  -5.0497   7.3262   2.8554   5.8004  105.117   49.153  124.686   51.107 -19.56987 70.90769 
1 1 1   15   14   21 o  173.708   35.258   9.9597   3.6497   13.101   5.7885   7.8866   4.7020  194.223   51.443  153.193   48.230 41.02995 70.51598 
1 1 1   15   14   23 o  142.482   37.895   6.8303   4.2221   5.1830   5.8625   8.6052   6.0856  131.356   52.248  153.608   54.902 -22.25191 75.78951 
1 1 1   15   14   25 o   92.482   44.330  -4.7247   6.7096   0.0000   0.0000  -4.7247   6.7096  ?   ?    92.482   44.330      ?      ? 
1 1 1   15   14   27 o   89.298   28.578   0.3273   3.2342  -3.6517   5.5831   2.3369   3.9677   82.769   39.871   95.826   40.951 -13.05719 57.15502 
1 1 1   15   14   29 o   77.516   26.565  -2.6260   3.6412  -0.9304   5.2050  -4.2509   5.0955   82.079   39.265   72.952   35.792 9.126961 53.13002 
1 1 1   15   15    0 o  237.115   24.551   17.139   4.4004   17.139   4.4004   17.139   4.4004  237.115   34.720  237.115   34.720 0.000000 0.000000 
1 1 1   15   15    2 o  491.322   17.436   69.367   4.8849   69.733   6.9708   69.014   6.8474  492.569   24.816  490.074   24.500 2.494080 34.87238 
1 1 1   15   15    4 o  327.280   20.419   30.813   3.8039   31.964   5.5890   29.820   5.1920  332.888   29.440  321.672   28.303 11.21558 40.83865 
1 1 1   15   15    6 o  540.695   25.467   84.673   7.8411   88.798   11.481   81.067   10.735  552.899   36.411  528.490   35.617 24.40814 50.93477 
1 1 1   15   15    8 o  603.839   16.862  105.059   5.7958   99.059   8.2707  110.848   8.1243  586.676   24.720  621.002   22.940 -34.32635 33.72449 
1 1 1   15   15   10 o  758.323   22.098  166.598   9.5473  159.083   13.167  174.930   13.864  740.352   31.185  776.294   31.316 -35.94141 44.19546 
1 1 1   15   15   12 o  341.943   20.160   33.962   3.8888   27.802   5.3969   40.615   5.6084  309.203   30.606  374.684   26.247 -65.48151 40.31936 
1 1 1   15   15   14 o  106.743   32.144   1.0952   2.9411  -2.0829   6.8119   1.8234   3.2607  113.878   50.976   99.607   39.172 14.27151 64.28817 
1 1 1   15   15   16 o  164.647   40.412   8.5169   4.7746   10.870   5.5224   1.5501   9.5019  183.905   50.918  145.388   62.769 38.51695 80.82433 
1 1 1   15   15   18 o  128.731   37.590   1.5725   4.5393   6.7312   7.2406  -1.7679   5.8266  154.157   58.982  103.305   46.617 50.85275 75.18012 
1 1 1   15   15   20 o  377.487   26.891   44.405   5.7003   44.341   8.8262   44.450   7.4663  374.337   41.344  380.637   34.396 -6.300354 53.78119 
1 1 1   15   15   22 o  124.048   36.404   3.7252   4.1119   1.9150   7.4295   4.5245   4.9371  123.479   54.364  124.616   48.430 -1.136833 72.80721 
1 1 1   15   15   24 o  105.740   49.249  -1.4549   7.2392   0.0000   0.0000  -1.4549   7.2392  ?   ?   105.740   49.249      ?      ? 
1 1 1   15   15   26 o   99.069   30.884   1.8798   3.4382   3.1377   4.3034  -0.3401   5.7169  103.371   43.338   94.767   44.014 8.603439 61.76897 
1 1 1   15   15   28 o   97.165   31.408   2.4499   3.9857  -0.1502   5.9053   4.6254   5.4017   89.202   42.435  105.128   46.316 -15.92615 62.81675 
1 1 1   15   15   30 o   78.992   36.572  -2.3784   3.4503 -15.6953   7.3923   1.3307   3.9014  ?   ?    78.992   36.572      ?      ? 
1 1 1   15   16    1 f  692.116   16.888  137.621   6.6640  135.166   9.2966  140.217   9.5575  685.794   23.770  698.438   23.995 -12.64423 33.77570 
1 1 1   15   16    3 o  673.102   16.494  130.197   6.3309  128.522   8.9508  131.875   8.9556  668.736   23.470  677.468   23.180 -8.731750 32.98725 
1 1 1   15   16    5 o  378.516   19.849   41.563   4.2493   35.540   6.0169   47.555   6.0019  350.680   30.087  406.353   25.900 -55.67291 39.69870 
1 1 1   15   16    7 o  263.987   38.172   23.319   5.6597   10.734   8.5906   32.970   7.5231  192.203   65.458  335.770   39.288 -143.5664 76.34348 
1 1 1   15   16    9 o  754.248   22.219  165.321   9.5571  164.765   13.497  165.880   13.535  752.972   31.431  755.524   31.414 -2.551086 44.43760 
1 1 1   15   16   11 o  853.244   16.520  209.992   8.0244  193.728   11.221  227.018   11.480  819.152   24.019  887.336   22.687 -68.18378 33.03955 
1 1 1   15   16   13 o  571.112   19.815   95.539   6.3249   91.846   9.8729   98.110   8.2371  560.427   30.891  581.796   24.826 -21.36932 39.63076 
1 1 1   15   16   15 o  139.519   56.700   3.6345   7.0632   3.6345   7.0632   0.0000   0.0000  139.519   56.700  ?   ?       ?      ? 
1 1 1   15   16   17 o  165.814   36.310   8.9931   3.8074   7.9229   5.5264   9.9601   5.2530  157.562   52.503  174.065   50.170 -16.50308 72.61939 
1 1 1   15   16   19 o  160.585   31.356   8.4616   3.0789   5.6146   4.3002   11.456   4.4103  133.990   46.289  187.180   42.310 -53.18951 62.71257 
1 1 1   15   16   21 o  127.066   37.335   2.0744   4.5881   8.5323   7.2922  -2.1572   5.9029  155.497   59.264   98.634   45.424 56.86327 74.66947 
1 1 1   15   16   23 o  202.998   65.875   18.756   8.7212   0.0000   0.0000   18.756   8.7212  ?   ?   202.998   65.875      ?      ? 
1 1 1   15   16   25 o  150.573   36.639   8.5065   3.2285   13.100   7.4658   7.4500   3.5806  160.792   60.260  140.354   41.694 20.43721 73.27807 
1 1 1   15   16   27 o  118.648   33.636   6.4402   3.7414   9.5368   5.0456   2.6578   5.5765  138.097   49.916   99.199   45.099 38.89808 67.27205 
1 1 1   15   16   29 o  155.378   39.142   12.814   3.7602   27.500   8.0951   8.7728   4.2461  185.057   63.535  125.698   45.736 59.35863 78.28416 
1 1 1   15   17    0 o  653.097   16.263  122.566   8.5422  122.566   8.5422  122.566   8.5422  653.097   23.000  653.097   23.000 0.000000 0.000000 
1 1 1   15   17    2 o  704.585   16.782  142.831   6.7416  145.075   9.4874  140.542   9.5815  710.256   23.423  698.914   24.039 11.34161 33.56342 
1 1 1   15   17    4 o  734.846   16.614  155.385   6.9622  153.877   9.8214  156.909   9.8707  731.245   23.552  738.446   23.439 -7.201233 33.22736 
1 1 1   15   17    6 o  291.633   33.305   24.994   5.5018   27.404   8.3936   23.178   7.2852  303.491   48.496  279.774   45.660 23.71671 66.60901 
1 1 1   15   17    8 o  550.398   23.860   88.533   7.4533   90.120   10.116   86.648   11.023  556.472   31.878  544.324   35.510 12.14832 47.71939 
1 1 1   15   17   10 o  800.023   15.165  185.135   6.8312  189.436   9.0355  179.396   10.437  811.615   19.521  788.431   23.212 23.18445 30.32944 
1 1 1   15   17   12 o  266.517   22.357   21.022   3.3623   23.452   4.6403   18.336   4.8788  283.532   28.698  249.501   34.288 34.03096 44.71304 
1 1 1   15   17   14 o  193.937   29.030   11.837   3.0923   12.542   4.1367   10.943   4.6553  201.939   37.294  185.935   44.497 16.00456 58.05923 
1 1 1   15   17   16 o  340.615   34.019   34.802   6.4352   27.734   8.0973   46.919   10.602  296.224   47.932  385.005   48.289 -88.78116 68.03862 
1 1 1   15   17   18 o  258.265   30.153   22.407   3.9949   24.974   5.0039   17.896   6.6339  287.808   30.487  228.723   52.032 59.08586 60.30542 
1 1 1   15   17   20 o  240.467   32.334   20.395   4.1798   24.388   5.4855   14.866   6.4541  279.512   34.413  201.422   54.751 78.08937 64.66827 
1 1 1   15   17   22 o   92.240   30.085  -5.1811   4.1029 -13.9160   5.9360   2.8094   5.6775   69.499   34.839  114.982   49.058 -45.48302 60.16981 
1 1 1   15   17   24 o  115.342   38.427   0.9815   6.2520   0.4912   11.099   1.2093   7.5665  119.864   57.340  110.820   51.175 9.043404 76.85497 
1 1 1   15   17   26 o  131.361   36.412   5.0675   3.2806   17.898   7.6319   2.1596   3.6334  171.726   61.472   90.995   39.045 80.73075 72.82377 
1 1 1   15   17   28 o  103.843   32.420   5.6630   3.8563   7.6229   5.2928   3.4452   5.6301  113.119   47.777   94.566   43.835 18.55288 64.83940 
1 1 1   15   18    1 o  673.517   16.512  130.649   6.3417  128.451   8.9411  132.874   8.9960  667.781   23.478  679.254   23.223 -11.47388 33.02352 
1 1 1   15   18    3 o  270.795   23.289   21.540   3.5618   18.916   5.1687   23.913   4.9151  254.477   35.616  287.113   30.018 -32.63602 46.57870 
1 1 1   15   18    5 o  359.725   19.452   37.452   3.9886   35.870   5.5985   39.083   5.6840  351.934   27.894  367.516   27.120 -15.58228 38.90479 
1 1 1   15   18    9 o  317.853   21.857   29.388   3.9412   25.463   5.4268   33.768   5.7332  295.146   32.242  340.561   29.519 -45.41467 43.71401 
1 1 1   15   18   11 o  474.116   17.373   65.245   4.6969   64.921   6.5904   65.580   6.6958  472.965   24.434  475.267   24.704 -2.301941 34.74644 
1 1 1   15   18   13 o  214.315   26.445   14.775   3.0116   20.420   4.1692   8.6162   4.3550  263.821   27.711  164.810   45.048 99.01097 52.88903 
1 1 1   15   18   17 o  156.314   40.456   3.6276   5.4213  -4.6776   6.9264   16.763   8.7105  101.296   47.502  211.333   65.500 -110.0375 80.91105 
1 1 1   15   18   19 o  179.393   34.433   11.926   3.9183   15.813   5.0909   6.2782   6.1374  217.962   42.483  140.823   54.201 77.13892 68.86568 
1 1 1   15   18   21 o  212.669   39.581   20.028   5.5004   10.312   10.012   24.229   6.5829  158.665   66.280  266.673   43.285 -108.0078 79.16209 
1 1 1   15   18   23 o  144.148   44.709   9.4162   6.7742   12.057   11.720   8.0911   8.3014  150.193   67.074  138.104   59.132 12.08934 89.41770 
1 1 1   15   18   25 o  104.286   33.886   2.4789   4.5052   3.3010   7.2830   1.9692   5.7339  108.708   50.202   99.864   45.529 8.843849 67.77254 
1 1 1   15   18   27 f   80.090   27.804  -3.0019   4.2995  -4.8903   7.1836  -1.9479   5.3669   81.096   40.280   79.084   38.338 2.012047 55.60798 
1 1 1   15   19    0 o  293.084   20.847   25.440   4.8134   25.440   4.8134   25.440   4.8134  293.084   29.482  293.084   29.482 0.000000 0.000000 
1 1 1   15   19    2 o  510.230   17.018   75.138   4.9519   75.306   7.0097   74.971   6.9965  510.800   24.063  509.660   24.072 1.140411 34.03649 
1 1 1   15   19    4 o  431.826   18.516   53.954   4.5585   54.435   6.5343   53.498   6.3625  433.642   26.422  430.009   25.945 3.633667 37.03103 
1 1 1   15   19    6 o  290.102   24.741   25.027   4.0129   22.517   6.1164   26.923   5.3173  276.223   38.828  303.981   30.673 -27.75778 49.48112 
1 1 1   15   19   10 o  399.915   19.230   46.648   4.3805   45.769   6.0293   47.630   6.3752  396.104   26.691  403.727   27.689 -7.622467 38.45924 
1 1 1   15   19   12 o  495.126   15.886   70.383   4.4264   65.963   5.7391   76.873   6.9541  476.760   21.108  513.492   23.747 -36.73166 31.77238 
1 1 1   15   19   14 o  656.794   17.577  126.788   6.5810  126.508   9.4360  127.053   9.1829  655.792   25.231  657.796   24.479 -2.003235 35.15415 
1 1 1   15   19   18 o  246.667   27.725   19.839   3.6624   18.595   5.8547   20.639   4.6943  234.466   45.426  258.869   31.798 -24.40308 55.44955 
1 1 1   15   19   20 o  121.268   38.634   1.8423   5.0633   1.6053   10.182   1.9202   5.8360  130.412   59.910  112.124   48.799 18.28860 77.26881 
1 1 1   15   19   22 f  144.141   41.286   8.8439   5.1203   7.7572   6.3958   10.784   8.5449  137.694   54.634  150.588   61.912 -12.89423 82.57114 
1 1 1   15   19   24 o  135.557   38.987   8.8293   4.7276   13.679   7.3984   5.4825   6.1460  154.655   59.513  116.459   50.380 38.19548 77.97434 
1 1 1   15   19   26 o  110.888   35.382   6.8075   4.6539   8.7712   7.4035   5.5247   5.9839  115.861   52.391  105.916   47.569 9.944557 70.76453 
1 1 1   15   19   28 o   85.176   28.617   2.4893   3.7347   1.5432   4.9651   3.7220   5.6676   81.432   38.787   88.920   42.088 -7.488487 57.23476 
1 1 1   15   20    1 o  498.548   17.184   71.867   4.8842   74.231   6.9348   69.540   6.8801  506.769   23.996  490.327   24.604 16.44174 34.36816 
1 1 1   15   20    3 o  502.839   17.085   73.131   4.8981   75.568   6.9717   70.756   6.8830  511.183   23.915  494.495   24.407 16.68784 34.17080 
1 1 1   15   20    5 o  243.572   24.360   17.373   3.3751   16.004   4.5925   18.980   4.9769  233.173   34.537  253.970   34.362 -20.79759 48.71902 
1 1 1   15   20    7 o  185.212   32.842   10.142   3.6123   5.6342   4.7294   16.455   5.5966  140.299   48.540  230.124   44.252 -89.82524 65.68437 
1 1 1   15   20    9 o  188.313   39.700   9.9676   4.9888   19.079   7.7953   3.6478   6.4924  240.644   57.574  135.982   54.677 104.6613 79.39985 
1 1 1   15   20   11 o  130.150   30.178   5.1195   2.6351   6.2428   3.5478   3.7373   3.9354  141.135   41.390  119.165   43.928 21.97047 60.35591 
1 1 1   15   20   13 o  151.166   28.746   6.8563   2.9098   12.395   4.2006   1.7462   4.0346  198.184   38.554  104.148   42.648 94.03540 57.49165 
1 1 1   15   20   15 o  140.110   40.196  -0.2182   2.8353   17.583   10.873  -1.5168   2.9369  209.033   73.527   71.187   32.505 137.8464 80.39149 
1 1 1   15   20   17 o  359.935   42.821   42.388   8.7897   0.0000   0.0000   42.388   8.7897  ?   ?   359.935   42.821      ?      ? 
1 1 1   15   20   19 o  380.954   20.326   45.400   3.8939   43.555   7.3804   46.111   4.5838  368.125   35.156  393.783   20.412 -25.65869 40.65145 
1 1 1   15   20   21 o  121.025   38.302   3.2020   5.4736   0.4886   7.5317   6.2392   7.9684  110.290   50.974  131.760   57.182 -21.46982 76.60414 
1 1 1   15   20   23 o  122.191   33.281   6.5754   3.5304   0.0162   8.4307   7.9702   3.8877  104.786   50.085  139.595   43.840 -34.80839 66.56127 
1 1 1   15   20   25 o  109.669   33.110   5.8521   3.5692   4.7631   7.8072   6.1398   4.0131  104.979   49.600  114.358   43.874 -9.379005 66.22005 
1 1 1   15   20   27 o   65.833   23.704  -7.4291   3.6682  -7.1150   7.7410  -7.5201   4.1655   75.018   37.884   56.648   28.503 18.37082 47.40897 
1 1 1   15   21    0 o  438.934   18.058   56.012   6.3429   56.012   6.3429   56.012   6.3429  438.934   25.537  438.934   25.537 0.000000 0.000000 
1 1 1   15   21    2 o  200.747   27.321   12.146   3.0610   14.031   4.4766   10.490   4.1949  217.605   36.073  183.888   41.042 33.71681 54.64146 
1 1 1   15   21    4 o  238.693   25.449   17.175   3.3375   13.978   4.6556   20.556   4.7871  213.109   39.770  264.276   31.763 -51.16801 50.89765 
1 1 1   15   21    6 o  702.019   23.279  145.949   9.3134  150.635   13.100  141.160   13.243  713.997   32.172  690.040   33.654 23.95648 46.55770 
1 1 1   15   21    8 o  141.547   29.692   6.3254   2.7738   8.8515   3.6413   2.8328   4.2816  168.140   38.768  114.954   44.983 53.18563 59.38346 
1 1 1   15   21   10 o  269.317   30.989   24.353   3.8150   25.900   4.4089   19.741   7.6114  296.707   26.056  241.927   56.236 54.77965 61.97879 
1 1 1   15   21   12 o  475.983   18.018   66.892   4.8879   70.313   7.0120   63.659   6.8172  487.996   25.196  463.970   25.764 24.02524 36.03675 
1 1 1   15   21   14 o  246.896   24.757   18.949   3.4528   21.189   4.8080   16.563   4.9617  263.640   31.979  230.152   37.803 33.48814 49.51441 
1 1 1   15   21   16 o  106.949   36.092  -2.5033   2.7010   6.6304   10.548  -3.1442   2.7942  152.913   66.076   60.985   29.061 91.92847 72.18436 
1 1 1   15   21   18 o  131.208   57.467   4.1010   8.2079   0.0000   0.0000   4.1010   8.2079  ?   ?   131.208   57.467      ?      ? 
1 1 1   15   21   20 o  122.367   38.295   4.1209   5.2690  -3.8572   11.602   6.1939   5.9141  115.729   56.163  129.005   52.075 -13.27619 76.59039 
1 1 1   15   21   22 o  141.299   33.846   9.0954   4.6058   15.539   5.4850  -6.3137   8.4818  189.814   49.981   92.784   45.653 97.03047 67.69247 
1 1 1   15   21   24 o   97.110   31.350   2.1267   4.0628   6.2977   5.6304  -2.4043   5.8683  111.762   48.285   82.458   40.000 29.30418 62.70081 
1 1 1   15   21   26 o   83.753   28.956  -0.0977   4.7716  -6.5299   8.3619   3.0081   5.8105   78.232   39.491   89.273   42.359 -11.04028 57.91224 
1 1 1   15   22    1 o  244.440   31.352   19.913   3.9401   22.950   4.9138   14.444   6.5940  278.861   30.899  210.018   54.562 68.84315 62.70351 
1 1 1   15   22    3 o  166.671   29.221   8.7374   2.8351   11.599   4.0521   5.9933   3.9680  193.499   38.076  139.843   44.337 53.65559 58.44250 
1 1 1   15   22    5 o  498.881   25.959   74.549   7.3694   69.020   10.056   80.962   10.831  478.913   36.819  518.850   36.605 -39.93698 51.91863 
1 1 1   15   22    7 o  408.618   19.424   49.250   4.5248   50.002   6.3493   48.474   6.4501  412.006   27.023  405.229   27.911 6.777313 38.84871 
1 1 1   15   22    9 o  133.301   31.065   5.3739   2.7445   4.3148   3.6848   6.6935   4.1131  121.820   42.806  144.783   45.031 -22.96246 62.13018 
1 1 1   15   22   11 o  131.882   38.657   3.3451   4.6954   5.1228   7.3592   2.1246   6.0978  142.768   57.928  120.995   51.202 21.77378 77.31300 
1 1 1   15   22   13 o  175.899   30.380   10.313   3.0201   10.653   4.3452   9.9957   4.2007  178.655   43.137  173.143   42.789 5.512375 60.75928 
1 1 1   15   22   15 o  247.993   40.640   25.153   4.6693   19.355   11.562   26.283   5.1040  204.010   75.278  291.975   30.653 -87.96509 81.27956 
1 1 1   15   22   17 o  463.920   29.823   71.473   5.6057   73.993   13.952   70.987   6.1216  441.504   55.412  486.336   22.072 -44.83163 59.64618 
1 1 1   15   22   19 o  223.506   67.652   25.035   9.3622   0.0000   0.0000   25.035   9.3622  ?   ?   223.506   67.652      ?      ? 
1 1 1   15   22   21 o  128.135   38.527   4.8149   5.3773  -3.5971   7.0657   16.392   8.2892   91.351   44.213  164.919   63.106 -73.56847 77.05300 
1 1 1   15   22   23 o  138.059   36.686   10.340   4.3314   4.6380   5.9309   16.856   6.3406  104.759   47.175  171.359   56.197 -66.59991 73.37293 
1 1 1   15   22   25 o   89.816   31.039   1.3620   4.7996   8.0948   8.2311  -2.1066   5.9079  102.072   48.973   77.560   38.150 24.51164 62.07900 
1 1 1   15   23    0 o  104.326   39.382   4.8346   4.5139   4.8346   4.5139   4.8346   4.5139  104.326   55.694  104.326   55.694 -0.000000 0.000000 
1 1 1   15   23    2 o  293.713   21.973   25.678   3.6803   25.512   5.2232   25.842   5.1864  292.682   31.293  294.743   30.855 -2.061707 43.94655 
1 1 1   15   23    4 o  304.378   32.771   29.588   5.3897   30.464   6.9595   28.276   8.5191  315.780   38.646  292.976   52.937 22.80487 65.54214 
1 1 1   15   23    6 o  643.413   17.039  121.622   6.2460  128.307   8.8724  115.054   8.7946  661.388   23.523  625.438   24.657 35.94995 34.07764 
1 1 1   15   23    8 o  426.659   18.475   54.159   4.4741   59.080   6.2665   49.043   6.3901  447.447   24.558  405.871   27.608 41.57697 36.94949 
1 1 1   15   23   10 o  446.555   23.956   59.161   5.5598   66.257   10.436   56.349   6.5697  458.534   39.910  434.576   26.509 23.95795 47.91121 
1 1 1   15   23   12 o  154.195   39.394   7.7879   4.9822   1.0675   7.6990   12.630   6.5350  123.374   54.776  185.016   56.633 -61.64207 78.78883 
1 1 1   15   23   14 o  355.824   15.732   37.495   2.7544   38.194   5.5190   37.264   3.1785  354.096   27.330  357.552   15.588 -3.456543 31.46320 
1 1 1   15   23   16 o  138.165   39.517   5.1712   3.2684   11.425   10.500   4.5002   3.4392  159.766   67.375  116.564   41.314 43.20212 79.03349 
1 1 1   15   23   18 o  103.184   31.733   2.6049   2.2078  -3.7873   10.605   2.8945   2.2573  111.207   53.906   95.160   33.498 16.04682 63.46640 
1 1 1   15   23   20 o  202.448   30.163   11.856   3.8869   35.501   7.3248   2.5881   4.5859  305.485   42.045   99.411   43.262 206.0736 60.32695 
1 1 1   15   23   22 o  107.782   33.334   4.1285   4.2716   10.182   6.0110  -2.0477   6.0714  131.121   52.650   84.443   40.897 46.67747 66.66789 
1 1 1   15   23   24 f   72.632   25.448  -3.8434   3.8686  -3.9187   6.1910  -3.7952   4.9551   75.435   37.455   69.829   34.460 5.605537 50.89622 
1 1 1   15   24    1 f  692.137   17.179  140.990   6.7804  140.755   9.5336  141.230   9.6453  691.666   24.169  692.608   24.419 -0.9417725 34.35795 
1 1 1   15   24    3 o  304.103   33.582   30.193   5.5264   38.024   7.8960   22.672   7.7374  350.088   39.549  258.117   54.285 91.97116 67.16364 
1 1 1   15   24    5 o  302.299   30.682   30.041   4.6203   31.526   5.5798   26.804   8.2407  323.775   30.219  280.823   53.408 42.95224 61.36472 
1 1 1   15   24    7 o  296.844   22.622   26.802   3.8277   26.756   5.3291   26.851   5.5013  296.878   31.477  296.810   32.501 0.6781006E-01 45.24478 
1 1 1   15   24    9 o  100.723   28.657   1.8581   2.6235   3.4742   3.5099  -0.1879   3.9493  111.446   41.406   90.001   39.630 21.44522 57.31496 
1 1 1   15   24   11 o  416.710   24.453   51.593   5.3029   61.864   10.062   47.643   6.2398  437.050   40.372  396.370   27.604 40.68021 48.90660 
1 1 1   15   24   13 o  347.952   33.281   41.999   6.5851   42.360   9.6697   41.687   8.9926  346.908   48.877  348.995   45.183 -2.086517 66.56158 
1 1 1   15   24   15 o  114.821   34.331   2.6640   3.0261   6.5135   7.3601   1.8809   3.3196  135.891   56.803   93.750   38.572 42.14143 68.66112 
1 1 1   15   24   17 o  200.415   28.092   13.713   2.9691   16.984   5.1386   12.074   3.6378  213.631   43.653  187.199   35.372 26.43135 56.18497 
1 1 1   15   24   19 o  129.965   39.777   6.5903   3.2239   0.0000   0.0000   6.5903   3.2239  ?   ?   129.965   39.777      ?      ? 
1 1 1   15   24   21 o   81.203   39.517  -2.8501   5.8509  -2.8501   5.8509   0.0000   0.0000   81.203   39.517  ?   ?       ?      ? 
1 1 1   15   24   23 o   84.073   29.632  -2.2378   5.6763  -5.9641   7.9994   1.5414   8.0560   78.576   39.532   89.570   44.153 -10.99407 59.26413 
1 1 1   15   25    0 o   79.166   35.011   1.5812   4.5958   1.5812   4.5958   1.5812   4.5958   79.166   49.512   79.166   49.512 0.000000 0.000000 
1 1 1   15   25    2 o  348.887   25.240   38.356   4.8072   34.559   7.7468   40.733   6.1303  330.094   41.152  367.680   29.236 -37.58652 50.48030 
1 1 1   15   25    4 o   99.339   29.817  -0.4191   3.3227   3.8163   4.3542  -6.3238   5.1412  119.104   45.699   79.574   38.314 39.52975 59.63486 
1 1 1   15   25    6 o   99.521   28.868   1.7690   2.6200   1.6942   3.7192   1.8427   3.6915   99.122   40.810   99.920   40.842 -0.7988510 57.73637 
1 1 1   15   25    8 o  257.060   23.732   20.520   3.4690   18.517   4.7984   22.713   5.0210  243.279   34.586  270.840   32.508 -27.56006 47.46479 
1 1 1   15   25   10 o  161.711   33.183   9.0955   3.2363   11.158   4.9348   7.5391   4.2870  176.695   47.811  146.726   46.029 29.96982 66.36691 
1 1 1   15   25   12 o   94.439   31.173  -1.0824   3.2777  -2.1674   7.7178  -0.8436   3.6204  107.900   50.453   80.977   36.625 26.92376 62.34512 
1 1 1   15   25   14 o   81.881   26.642  -2.1672   2.9120  -4.7928   3.9144   1.0863   4.3575   67.933   32.886   95.829   41.925 -27.89612 53.28384 
1 1 1   15   25   16 o  167.631   32.672   12.832   3.4898   6.7397   7.9291   14.295   3.8865  128.637   56.409  206.625   32.983 -77.98894 65.34355 
1 1 1   15   25   18 o  110.780   42.104   4.8290   3.6742   0.0000   0.0000   4.8290   3.6742  ?   ?   110.780   42.104      ?      ? 
1 1 1   15   25   20 o   92.558   45.449  -1.2495   8.2695   0.0000   0.0000  -1.2495   8.2695  ?   ?    92.558   45.449      ?      ? 
1 1 1   15   25   22 o  103.973   35.100   9.0157   5.8642   10.692   8.0504   7.1205   8.5594  108.559   51.005   99.387   48.234 9.172188 70.19995 
1 1 1   15   26    1 o  389.203   25.734   48.027   5.2567   46.410   9.3046   48.785   6.3708  376.747   43.306  401.658   27.813 -24.91019 51.46854 
1 1 1   15   26    3 o  372.518   30.183   45.480   6.3693   46.863   8.6481   43.841   9.4160  381.930   39.705  363.107   45.471 18.82324 60.36648 
1 1 1   15   26    5 o  187.542   29.184   11.953   3.1295   8.4010   4.5276   15.203   4.3306  155.033   47.073  220.051   34.509 -65.01707 58.36774 
1 1 1   15   26    7 o  156.243   30.760   8.4227   2.8716   10.073   4.1425   6.8965   3.9842  171.188   42.602  141.298   44.381 29.89023 61.51969 
1 1 1   15   26    9 o  222.921   28.009   17.011   3.2754   15.036   5.4165   18.150   4.1125  204.380   47.393  241.462   29.865 -37.08212 56.01779 
1 1 1   15   26   11 o  199.092   22.080   12.386   2.4661   13.873   3.9252   11.416   3.1699  207.461   33.177  190.724   29.143 16.73761 44.15913 
1 1 1   15   26   13 o  135.205   28.141   6.8004   2.3393   5.4670   3.9042   7.5472   2.9218  122.487   43.954  147.924   35.153 -25.43752 56.28238 
1 1 1   15   26   15 o   89.668   30.646  -3.8591   4.6669  -5.6674   7.6964  -2.8075   5.8691   91.576   44.731   87.759   41.902 3.816788 61.29156 
1 1 1   15   26   17 o  102.636   41.251   3.9162   3.6937   0.0000   0.0000   3.9162   3.6937  ?   ?   102.636   41.251      ?      ? 
1 1 1   15   26   19 o   73.509   25.354  -0.7260   2.3602 -15.5291   10.157   0.1189   2.4266   80.151   40.781   66.866   30.137 13.28513 50.70882 
1 1 1   15   26   21 o   58.268   27.143  -0.6042   2.2006   0.0000   0.0000  -0.6042   2.2006  ?   ?    58.268   27.143      ?      ? 
1 1 1   15   27    0 o  379.868   20.366   43.408   6.1570   43.408   6.1570   43.408   6.1570  379.868   28.802  379.868   28.802 0.000000 0.000000 
1 1 1   15   27    2 o  483.516   28.185   78.019   7.5560   87.376   10.118   66.221   11.361  525.902   33.737  441.130   45.161 84.77158 56.37076 
1 1 1   15   27    4 o  121.613   31.607   4.7083   2.8291   4.5709   3.6089   4.9275   4.5569  118.934   42.303  124.291   46.974 -5.357239 63.21461 
1 1 1   15   27    6 o  170.912   31.876   10.419   3.1555   9.2685   4.3203   11.735   4.6199  160.469   45.253  181.354   44.907 -20.88481 63.75292 
1 1 1   15   27    8 o  300.749   23.318   29.329   3.9345   24.377   5.6369   34.033   5.4942  272.123   36.323  329.375   29.250 -57.25229 46.63617 
1 1 1   15   27   10 o  191.247   27.793   14.412   2.5957   9.3495   5.1428   16.143   3.0067  152.477   50.640  230.016   22.921 -77.53880 55.58640 
1 1 1   15   27   12 o  170.311   31.054   11.081   3.0314   11.657   4.4388   10.578   4.1498  173.938   44.551  166.683   43.275 7.255005 62.10879 
1 1 1   15   27   14 o  112.643   27.580   5.0855   2.3712   0.9200   4.9210   6.3451   2.7061   93.324   42.404  131.961   35.278 -38.63726 55.16048 
1 1 1   15   27   18 o   63.652   29.794  -0.9087   2.7034   0.0000   0.0000  -0.9087   2.7034  ?   ?    63.652   29.794      ?      ? 
1 1 1   15   27   20 o   92.125   28.137   1.2896   2.1410   10.847   5.0809  -0.7739   2.3609  125.446   49.026   58.803   27.626 66.64294 56.27335 
1 1 1   15   28    1 o   95.934   30.931  -0.8075   3.7768   1.5308   4.4611  -6.7243   7.0963  100.262   43.148   91.607   44.330 8.654625 61.86202 
1 1 1   15   28    3 o   97.011   29.015   1.6822   2.7004   1.5049   3.4285   1.9718   4.3830   92.119   38.655  101.902   43.281 -9.782547 58.02992 
1 1 1   15   28    5 o  135.726   30.642   6.8602   2.9479   9.3421   3.8019   3.1189   4.6680  161.936   41.099  109.516   45.461 52.42091 61.28498 
1 1 1   15   28    7 o   85.159   26.880  -0.0455   2.6945   1.1235   3.5408  -1.6538   4.1531   89.319   38.440   80.999   37.583 8.320091 53.75971 
1 1 1   15   28    9 o   97.945   29.110   2.0323   2.8438   3.9334   3.9930   0.0754   4.0512  109.272   43.228   86.618   38.999 22.65486 58.22025 
1 1 1   15   28   11 o   85.249   26.728   0.6143   2.5836   1.6376   3.8157  -0.2519   3.5109   91.476   39.634   79.022   35.872 12.45358 53.45692 
1 1 1   15   28   13 f   68.481   24.134  -3.8326   2.6436 -14.8517   8.0260  -2.4916   2.7999   76.729   38.727   60.233   28.810 16.49651 48.26799 
1 1 1   15   28   15 o   83.769   29.085  -0.7252   2.3865   4.7609   8.4009  -1.2068   2.4891  106.607   50.686   60.931   28.542 45.67585 58.16932 
1 1 1   15   28   19 f   81.791   26.847   2.2648   2.6760  -5.0573   9.8729   2.8454   2.7801   80.425   40.849   83.157   34.847 -2.732140 53.69318 
1 1 1   15   29    2 o  186.002   30.173   12.642   3.1226   11.864   4.2148   13.588   4.6490  180.354   41.796  191.650   43.528 -11.29671 60.34550 
1 1 1   15   29    4 o   91.189   27.789   1.3773   2.6113   1.5585   3.4600   1.1377   3.9803   90.565   38.460   91.813   40.121 -1.247330 55.57761 
1 1 1   15   29    6 o   84.637   26.729  -0.9107   2.8567   2.8391   3.9530  -5.0097   4.1329  100.926   41.860   68.348   33.250 32.57868 53.45888 
1 1 1   15   29    8 o  104.964   27.996   1.4981   2.9321  -5.2584   4.1250   8.3979   4.1685   66.913   32.697  143.014   45.454 -76.10115 55.99255 
1 1 1   15   29   10 o  214.173   29.310   17.724   3.4786   22.205   4.9963   13.508   4.8462  250.053   35.036  178.293   46.996 71.76003 58.61930 
1 1 1   15   29   12 o  185.787   30.743   14.762   3.2366   12.224   4.7970   16.884   4.3851  161.659   48.313  209.915   38.031 -48.25591 61.48555 
1 1 1   15   29   14 o  192.738   29.986   16.570   3.3085   12.582   4.8879   19.941   4.4947  155.736   49.190  229.741   34.306 -74.00513 59.97138 
1 1 1   15   29   16 o   94.913   40.434   4.2144   3.8462   0.0000   0.0000   4.2144   3.8462  ?   ?    94.913   40.434      ?      ? 
1 1 1   15   30    1 o   99.192   31.729   1.2110   3.6053   3.4031   6.2989   0.1429   4.3967  110.462   49.263   87.922   40.001 22.53996 63.45796 
1 1 1   15   30    3 o  125.906   32.283   6.2782   2.9601   5.0080   3.8523   8.1095   4.6254  114.510   43.211  137.302   47.975 -22.79160 64.56583 
1 1 1   15   30    5 o  108.177   29.928   4.2755   2.7458   5.5044   3.7462   2.8491   4.0362  117.680   42.938   98.674   41.701 19.00571 59.85521 
1 1 1   15   30    7 o  175.535   30.940   12.796   3.1830   9.4828   4.4988   16.118   4.5040  145.619   47.316  205.451   39.879 -59.83215 61.88014 
1 1 1   15   30    9 o  122.916   31.435   6.8468   2.9915   8.7471   4.0261   4.5049   4.4696  140.158   44.684  105.673   44.227 34.48466 62.87013 
1 1 1   15   30   11 o   82.495   26.152   0.9593   2.5509  -0.5745   3.4055   2.9198   3.8502   72.425   33.748   92.565   39.960 -20.13948 52.30376 
1 1 1   15   30   13 o   82.725   27.570   0.9023   3.1966  -4.7596   7.7875   2.0496   3.5055   81.750   40.819   83.700   37.071 -1.949928 55.14021 
1 1 1   15   30   15 o   64.075   30.329  -0.7996   2.9431   0.0000   0.0000  -0.7996   2.9431  ?   ?    64.075   30.329      ?      ? 
1 1 1   15   31    0 o   48.562   23.985  -2.3096   3.4484  -2.3096   3.4484  -2.3096   3.4484   48.562   33.920   48.562   33.920 0.000000 0.000000 
1 1 1   15   31    2 o  122.921   35.943   7.7669   4.4034   3.4141   8.4373   9.3964   5.1622  108.296   51.286  137.545   50.370 -29.24902 71.88500 
1 1 1   15   31    4 o  168.077   33.526   12.928   3.3919   13.987   4.5850   11.647   5.0411  181.660   44.588  154.495   50.079 27.16461 67.05231 
1 1 1   15   31    6 o   70.035   23.680  -2.5366   2.7327  -5.0743   4.1467  -0.5886   3.6331   65.024   31.980   75.046   34.932 -10.02178 47.35947 
1 1 1   15   31    8 o   75.850   24.387   0.2118   2.3774  -1.7265   3.6212   1.6800   3.1517   69.470   33.099   82.230   35.824 -12.75971 48.77356 
1 1 1   15   31   10 o  208.509   31.447   19.773   3.6277   21.402   5.1964   18.225   5.0667  220.264   42.911  196.754   45.982 23.50993 62.89449 
1 1 1   15   31   12 o   95.303   29.880   4.6155   3.5765  -2.0052   7.8302   6.3609   4.0204   83.089   41.398  107.516   43.099 -24.42735 59.76026 
1 1 1   15   32    1 o   96.760   28.568   3.6656   2.6403   4.3369   3.7353   2.9953   3.7325  101.144   41.183   92.377   39.604 8.766846 57.13598 
1 1 1   15   32    3 o   99.659   32.214   4.0402   4.0958   2.6864   7.0235   4.7378   5.0419   97.021   46.190  102.298   44.917 -5.276672 64.42839 
1 1 1   15   32    5 o   88.623   28.978   1.9399   3.3871   2.4654   4.1143   0.8349   5.9663   88.864   39.709   88.383   42.213 0.4808578 57.95507 
1 1 1   15   32    7 o   65.317   22.613  -3.6736   2.8446  -5.4080   4.0772  -2.0287   3.9707   61.365   30.457   69.270   33.433 -7.904877 45.22569 
1 1 1   15   32    9 o  118.363   31.850   8.1610   3.2205   4.8811   4.6375   11.216   4.4757   96.608   42.720  140.119   47.250 -43.51144 63.69928 
1 1 1   15   33    0 o   61.012   28.795   0.8177   3.8728   0.8177   3.8728   0.8177   3.8728   61.012   40.722   61.012   40.722 0.000000 0.000000 
1 1 1   15   33    2 o  194.945   32.959   18.869   3.6239   20.842   5.2410   17.063   5.0162  208.274   45.406  181.615   47.786 26.65910 65.91797 
1 1 1   15   33    4 o  174.464   34.685   22.461   5.2940   7.4941   8.4086   32.289   6.8141   99.993   48.355  248.935   49.739 -148.9419 69.37011 
1 1 1   15   33    6 o   76.685   26.819  -1.9795   4.2174  -2.3446   7.0002  -1.7715   5.2840   78.943   39.301   74.428   36.502 4.515892 53.63780 
1 1 1   16    0    0 o  3201.59   29.789  2933.37   76.887  2933.37   76.887  2933.37   76.887  3201.59   42.127  3201.59   42.127 -0.000000 0.000000 
1 1 1   16    0    2 o  154.254   37.938   8.9184   4.2637   8.9184   4.2637   8.9184   4.2637  154.254   53.652  154.254   53.652 0.000000 0.000000 
1 1 1   16    0    4 o  734.074   23.218  155.176   13.683  155.176   13.683  155.176   13.683  734.074   32.835  734.074   32.835 0.000000 0.000000 
1 1 1   16    0    6 o  123.093   41.706   6.4217   4.7677   6.4217   4.7677   6.4217   4.7677  123.093   58.982  123.093   58.982 -0.000000 0.000000 
1 1 1   16    0   12 o  550.907   11.584   86.912   5.1367   86.912   5.1367   86.912   5.1367  550.907   16.382  550.907   16.382 -0.000000 0.000000 
1 1 1   16    0   14 o  665.517   19.206  127.594   10.270  127.594   10.270  127.594   10.270  665.517   27.162  665.517   27.162 -0.000000 0.000000 
1 1 1   16    0   16 o  330.742   17.918   31.922   4.7149   31.922   4.7149   31.922   4.7149  330.742   25.339  330.742   25.339 0.000000 0.000000 
1 1 1   16    0   18 o  1153.08   18.320  382.640   17.017  382.640   17.017  382.640   17.017  1153.08   25.908  1153.08   25.908 0.000000 0.000000 
1 1 1   16    0   20 o  692.342   15.177  138.145   8.4560  138.145   8.4560  138.145   8.4560  692.342   21.463  692.342   21.463 0.000000 0.000000 
1 1 1   16    0   22 o  219.770   21.299   14.807   3.5738   14.807   3.5738   14.807   3.5738  219.770   30.121  219.770   30.121 0.000000 0.000000 
1 1 1   16    0   24 o   52.482   24.885  -0.9012   2.9512  -0.9012   2.9512  -0.9012   2.9512   52.482   35.192   52.482   35.192 -0.000000 0.000000 
1 1 1   16    0   26 o  171.039   40.720   11.843   5.0198   11.843   5.0198   11.843   5.0198  171.039   57.586  171.039   57.586 0.000000 0.000000 
1 1 1   16    0   28 o  213.265   20.247   14.348   3.3062   14.348   3.3062   14.348   3.3062  213.265   28.634  213.265   28.634 -0.000000 0.000000 
1 1 1   16    0   30 o   58.907   30.059  -8.5053   7.2786  -8.5053   7.2786  -8.5053   7.2786   58.907   42.510   58.907   42.510 0.000000 0.000000 
1 1 1   16    0   32 o   56.688   27.729  -0.8963   4.3241  -0.8963   4.3241  -0.8963   4.3241   56.688   39.215   56.688   39.215 0.000000 0.000000 
1 1 1   16    1    1 o  856.863   15.629  210.106   7.5951  210.354   10.223  209.801   11.347  857.583   20.903  856.144   23.241 1.439270 31.25792 
1 1 1   16    1    3 f  742.064   16.495  157.675   6.9686  145.857   9.7801  169.863   9.9319  713.724   24.028  770.405   22.606 -56.68140 32.99044 
1 1 1   16    1    5 o  852.212   18.295  210.141   8.7343  220.204   11.497  196.404   13.433  877.028   22.986  827.396   28.468 49.63159 36.58921 
1 1 1   16    1    7 o  674.775   14.667  127.747   5.2287  123.734   6.2576  137.031   9.5174  657.982   16.676  691.568   24.132 -33.58685 29.33341 
1 1 1   16    1   11 o  1035.19   16.472  307.368   9.7228  305.041   13.613  309.791   13.892  1031.23   23.147  1039.15   23.442 -7.917969 32.94373 
1 1 1   16    1   13 o  216.916   32.209   17.942   4.2400   25.819   5.1271   0.9019   7.5411  299.094   30.059  134.738   56.974 164.3559 64.41747 
1 1 1   16    1   15 o  519.624   18.660   76.261   5.2909   72.612   6.5196   83.300   9.0553  502.534   22.749  536.714   29.585 -34.18048 37.31969 
1 1 1   16    1   17 o  540.831   18.377   79.689   5.3673   99.996   9.6160   70.499   6.4687  587.143   28.718  494.519   22.937 92.62396 36.75393 
1 1 1   16    1   19 o  276.097   31.338   26.473   3.6468   18.161   7.8277   28.778   4.1215  236.852   58.336  315.343   22.918 -78.49167 62.67624 
1 1 1   16    1   21 o  121.373   35.450   2.1339   3.2325   3.8877   7.5000   1.7338   3.5823  141.885   58.130  100.861   40.594 41.02380 70.90080 
1 1 1   16    1   23 o  127.729   32.949   3.9650   2.9167   2.5614   3.4648   7.3791   5.4036  104.717   40.606  150.741   51.900 -46.02341 65.89752 
1 1 1   16    1   25 o  115.182   30.332   3.6318   2.7946   5.6782   3.8759   1.4161   4.0330  131.158   43.972   99.207   41.792 31.95078 60.66380 
1 1 1   16    1   27 o  107.365   28.900   2.1618   2.7938  -1.8958   3.8139   6.8605   4.1041   77.559   35.997  137.170   45.223 -59.61085 57.80064 
1 1 1   16    1   29 o   89.590   27.001   1.6087   2.4656   0.3998   3.4969   2.8039   3.4770   82.132   36.662   97.048   39.649 -14.91600 54.00101 
1 1 1   16    1   31 o  101.136   28.687   4.2125   2.7349   6.2102   3.5558   1.3191   4.2794  116.638   41.937   85.635   39.154 31.00365 57.37438 
1 1 1   16    2    0 o  2082.96   17.884  1240.51   30.033  1240.51   30.033  1240.51   30.033  2082.96   25.292  2082.96   25.292 0.000000 0.000000 
1 1 1   16    2    2 o  1028.52   14.832  301.801   8.5334  298.603   11.015  306.601   13.495  1022.02   18.899  1035.01   22.863 -12.98389 29.66312 
1 1 1   16    2    4 o  332.665   26.492   35.200   4.0947   38.249   4.7289   26.061   8.1859  365.554   22.684  299.775   47.882 65.77908 52.98375 
1 1 1   16    2    6 o  1022.49   23.230  299.394   13.545  299.394   13.545   0.0000   0.0000  1022.49   23.230  ?   ?       ?      ? 
1 1 1   16    2    8 o  775.271   20.970  174.383   8.6199  177.366   10.473  168.120   15.177  786.787   23.341  763.754   34.846 23.03296 41.94090 
1 1 1   16    2   10 o  389.963   26.144   45.103   4.6031   45.871   5.1563   42.088   10.215  400.039   22.602  379.887   47.151 20.15207 52.28864 
1 1 1   16    2   12 o  511.169   14.782   74.491   4.2849   71.155   5.7146   78.776   6.4762  498.275   20.110  524.064   21.669 -25.78925 29.56329 
1 1 1   16    2   14 o  170.770   28.009   8.7514   3.0360   14.778   4.2466   2.4513   4.3419  225.863   32.969  115.677   45.289 110.1856 56.01876 
1 1 1   16    2   16 o  325.182   18.890   30.572   3.5013   31.784   4.9637   29.371   4.9395  331.677   26.242  318.687   27.179 12.98993 37.77976 
1 1 1   16    2   18 o  582.828   18.602   99.115   5.8289   96.377   10.005  100.521   7.1717  575.075   30.508  590.582   21.294 -15.50751 37.20395 
1 1 1   16    2   20 o   96.153   29.943   0.2480   2.7125  -7.5675   7.2296   1.5284   2.9263   99.222   47.129   93.085   36.948 6.137169 59.88602 
1 1 1   16    2   22 o  408.359   17.821   50.234   3.9890   44.183   6.3593   54.160   5.1220  385.589   28.920  431.128   20.833 -45.53922 35.64177 
1 1 1   16    2   24 f  325.957   20.225   32.294   3.6608   30.871   5.7913   33.241   4.7245  317.702   31.964  334.211   24.788 -16.50955 40.44920 
1 1 1   16    2   26 o  113.297   31.669   1.9723   3.0733  -0.8747   3.7910   7.4301   5.2489   83.056   37.530  143.538   51.022 -60.48254 63.33817 
1 1 1   16    2   28 o  171.843   30.474   10.983   3.1498   6.6466   4.2838   16.086   4.6475  131.168   46.150  212.518   39.810 -81.35074 60.94762 
1 1 1   16    2   30 o  121.651   28.698   6.0989   2.5260   3.4623   3.6811   8.4454   3.4726   98.919   40.649  144.383   40.520 -45.46323 57.39523 
1 1 1   16    2   32 o   82.904   26.624   0.9388   2.7225  -1.8007   3.4885   5.2070   4.3543   65.748   31.632  100.059   42.833 -34.31139 53.24767 
1 1 1   16    3    1 o  1149.26   16.602  377.988   10.877  382.539   15.629  373.714   15.146  1155.92   23.709  1142.60   23.244 13.32019 33.20302 
1 1 1   16    3    3 o  1026.84   19.947  302.221   10.997  301.825   13.448  303.022   19.104  1026.84   22.965  1026.85   32.622 -0.9277344E-02 39.89478 
1 1 1   16    3    5 o  580.244   13.947   96.196   4.2153   96.052   5.0245   96.537   7.7457  579.870   15.194  580.619   23.393 -0.7484131 27.89377 
1 1 1   16    3    7 o  778.520   23.304  173.624   10.347  173.624   10.347   0.0000   0.0000  778.520   23.304  ?   ?       ?      ? 
1 1 1   16    3   11 o  1018.45   20.388  294.578   10.804  288.907   12.817  308.495   20.079  1003.67   22.392  1033.23   34.077 -29.55475 40.77591 
1 1 1   16    3   13 o  457.646   22.039   60.492   5.7506   59.227   8.0243   61.828   8.2454  452.747   31.078  462.544   31.258 -9.797455 44.07885 
1 1 1   16    3   15 o  418.333   20.321   49.713   4.5925   53.345   7.9992   47.928   5.6090  428.680   32.720  407.987   24.107 20.69217 40.64215 
1 1 1   16    3   17 o  921.349   17.782  245.658   9.3081  249.432   12.686  241.258   13.700  929.605   23.929  913.093   26.309 16.51172 35.56372 
1 1 1   16    3   19 o  226.364   22.181   15.019   2.8617   14.369   3.9747   15.718   4.1235  221.260   31.500  231.468   31.238 -10.20830 44.36251 
1 1 1   16    3   21 o  306.539   20.011   27.716   3.4818   27.739   5.1775   27.696   4.7043  306.156   29.654  306.921   26.877 -0.7652283 40.02183 
1 1 1   16    3   23 o   83.829   25.983  -0.0774   2.2095   0.0239   2.6406  -0.3139   4.0347   76.586   33.077   91.072   40.080 -14.48523 51.96623 
1 1 1   16    3   25 o  152.909   51.182   8.3063   5.2512   0.0000   0.0000   8.3063   5.2512  ?   ?   152.909   51.182      ?      ? 
1 1 1   16    3   27 o   66.439   23.121  -6.3829   2.9247 -13.3799   5.7519  -3.9431   3.3966   68.021   34.125   64.856   31.206 3.165413 46.24195 
1 1 1   16    3   29 o   91.499   27.999  -0.1596   2.5685  -2.6768   3.0600   5.8428   4.7253   63.359   30.253  119.640   47.121 -56.28044 55.99725 
1 1 1   16    3   31 o  113.353   27.084   5.6001   2.5170   8.6992   3.2699   1.0940   3.9430  144.076   38.891   82.630   37.704 61.44591 54.16744 
1 1 1   16    4    0 o  768.876   13.399  169.097   8.2975  169.097   8.2975  169.097   8.2975  768.876   18.949  768.876   18.949 -0.000000 0.000000 
1 1 1   16    4    2 o  173.173   28.433   10.369   3.3865   16.280   4.1083  -2.1590   5.9814  238.133   30.252  108.214   48.152 129.9199 56.86615 
1 1 1   16    4    4 o  235.581   26.047   13.976   2.4554   13.071   2.6390   19.805   6.7001  213.717   21.652  257.444   47.382 -43.72655 52.09485 
1 1 1   16    4    6 o  1205.94   21.103  421.610   13.842  431.069   17.273  404.635   23.138  1226.42   24.696  1185.46   34.226 40.95862 42.20557 
1 1 1   16    4    8 o  841.131   33.994  203.907   16.306  203.907   16.306   0.0000   0.0000  841.131   33.994  ?   ?       ?      ? 
1 1 1   16    4   10 o  494.657   24.108   74.503   5.6410   77.964   6.4778   63.644   11.475  521.554   21.779  467.761   43.017 53.79321 48.21574 
1 1 1   16    4   12 o  706.121   16.569  144.087   6.4280  146.628   8.1133  139.802   10.535  715.242   19.891  697.001   26.504 18.24084 33.13770 
1 1 1   16    4   14 o  403.978   21.516   51.226   4.3528   57.211   5.2499   38.062   7.7859  446.490   20.618  361.466   37.770 85.02341 43.03129 
1 1 1   16    4   16 o  181.511   31.622   10.223   3.2854   8.1228   4.7443   12.157   4.5542  163.325   47.854  199.697   41.351 -36.37167 63.24450 
1 1 1   16    4   18 f   92.036   29.750  -3.5653   3.5823  -0.7947   5.0301  -6.4165   5.1029  102.307   44.894   81.766   39.049 20.54102 59.50053 
1 1 1   16    4   20 o  381.478   17.388   42.100   3.7682   46.628   5.6288   38.423   5.0727  399.891   24.682  363.065   24.499 36.82510 34.77677 
1 1 1   16    4   22 o  153.171   27.757   7.0913   2.4253   5.2761   3.0971   9.9694   3.8997  129.603   38.839  176.739   39.665 -47.13596 55.51405 
1 1 1   16    4   24 o  133.400   30.851   5.8312   2.6936   6.1716   3.4919   5.3309   4.2326  136.932   41.287  129.869   45.854 7.062424 61.70282 
1 1 1   16    4   26 o   86.259   26.634  -0.1473   2.6672   2.2958   3.0284  -8.5957   5.6317   95.914   37.741   76.603   37.592 19.31152 53.26850 
1 1 1   16    4   28 o   96.930   31.554   0.1520   3.3555   2.2400   7.1462  -0.4386   3.8005  111.883   50.939   81.976   37.255 29.90715 63.10827 
1 1 1   16    4   30 o  105.875   31.509   4.4871   3.1947   4.1319   4.1367   5.0122   5.0289  103.137   42.803  108.612   46.251 -5.475220 63.01826 
1 1 1   16    4   32 o   90.992   26.784   3.4167   2.6263   5.7230   3.2639  -0.8189   4.4233  107.763   39.950   74.220   35.686 33.54281 53.56809 
1 1 1   16    5    1 o  1455.27   16.570  606.401   13.752  609.265   19.451  603.539   19.444  1458.72   23.381  1451.82   23.485 6.898315 33.13950 
1 1 1   16    5    3 o  873.166   14.670  219.489   7.1019  224.177   9.0937  212.158   11.371  885.555   18.007  860.777   23.164 24.77747 29.33955 
1 1 1   16    5    5 o  823.800   18.739  189.899   7.6435  185.274   8.7890  204.253   15.484  804.856   19.148  842.744   32.217 -37.88849 37.47821 
1 1 1   16    5    7 o  1485.01   33.992  635.417   28.787   0.0000   0.0000  635.417   28.787  ?   ?   1485.01   33.992      ?      ? 
1 1 1   16    5    9 f  625.439   23.203  116.806   7.8319  127.532   9.9019   98.884   12.799  666.435   26.054  584.443   38.402 81.99176 46.40598 
1 1 1   16    5   11 o  626.179   25.231  112.691   9.0099  112.691   9.0099   0.0000   0.0000  626.179   25.231  ?   ?       ?      ? 
1 1 1   16    5   13 o  590.198   14.587   99.725   4.8925  102.343   7.2689   97.557   6.6153  597.138   21.345  583.259   19.888 13.87933 29.17455 
1 1 1   16    5   15 o  823.277   17.185  196.158   7.9581  190.264   12.207  200.515   10.495  811.694   26.370  834.861   22.043 -23.16699 34.37007 
1 1 1   16    5   17 o  233.473   26.574   16.554   3.3811   19.403   4.6588   13.384   4.9147  257.976   31.667  208.970   42.683 49.00563 53.14720 
1 1 1   16    5   19 o  312.254   25.153   27.163   3.6108   26.000   4.0163   32.063   8.2460  299.323   23.528  325.185   44.465 -25.86139 50.30644 
1 1 1   16    5   21 o  208.959   25.268   13.457   2.8996   10.720   4.0737   16.268   4.1282  184.173   39.936  233.744   30.969 -49.57164 50.53666 
1 1 1   16    5   23 o  106.729   24.554   3.1665   2.1730   5.9518   2.5988  -3.3055   3.9615  137.001   33.534   76.456   35.876 60.54443 49.10826 
1 1 1   16    5   25 o  159.877   35.330   8.8192   3.4463   7.6718   4.2613   10.989   5.8596  148.253   45.790  171.501   53.815 -23.24818 70.65988 
1 1 1   16    5   27 o   83.272   25.870   0.3678   2.3519   0.8836   3.0161  -0.4326   3.7570   83.513   35.697   83.030   37.454 0.4835052 51.74041 
1 1 1   16    5   29 o  102.749   28.481   3.7901   2.4675   4.6255   2.8566   1.3353   4.8970  111.081   37.747   94.417   42.660 16.66466 56.96193 
1 1 1   16    5   31 o  109.571   34.593   7.1087   4.3607   7.3340   7.5750   6.9970   5.3331  107.915   50.300  111.228   47.504 -3.312912 69.18616 
1 1 1   16    6    0 o  678.220   16.373  131.894   8.9320  131.894   8.9320  131.894   8.9320  678.220   23.154  678.220   23.154 -0.000000 0.000000 
1 1 1   16    6    2 o  1312.81   16.374  493.534   12.259  493.570   17.299  493.497   17.375  1312.86   23.105  1312.74   23.208 0.1210938 32.74878 
1 1 1   16    6    4 o  1191.71   15.363  407.496   10.142  410.607   12.920  402.502   16.370  1198.21   18.907  1185.20   24.220 13.01392 30.72616 
1 1 1   16    6    6 o  1372.21   20.332  539.204   14.903  536.034   18.118  545.836   26.205  1367.76   23.228  1376.66   33.378 -8.901123 40.66482 
1 1 1   16    6    8 o  389.708   26.273   43.607   5.8390   43.607   5.8390   0.0000   0.0000  389.708   26.273  ?   ?       ?      ? 
1 1 1   16    6   10 o  526.354   26.133   79.642   7.8446   79.642   7.8446   0.0000   0.0000  526.354   26.133  ?   ?       ?      ? 
1 1 1   16    6   12 o  899.540   20.318  232.141   8.8298  231.053   10.086  235.710   18.268  897.753   19.700  901.326   35.540 -3.572876 40.63517 
1 1 1   16    6   14 o  525.923   14.775   80.313   4.3688   85.904   5.8436   73.228   6.5781  547.278   18.723  504.568   22.861 42.70984 29.54933 
1 1 1   16    6   16 o  304.184   27.192   26.444   4.5357   24.581   5.6045   29.981   7.7219  290.123   33.873  318.246   42.547 -28.12238 54.38430 
1 1 1   16    6   18 o  607.654   21.384  108.035   7.3753   94.915   10.289  121.899   10.577  568.935   31.712  646.373   28.694 -77.43835 42.76707 
1 1 1   16    6   20 o  466.019   15.870   61.617   4.1372   55.634   5.2678   71.250   6.6834  437.772   21.100  494.266   23.711 -56.49387 31.73983 
1 1 1   16    6   22 o  103.367   28.406   2.1550   2.2578   1.4698   2.7199   3.6738   4.0494   89.038   35.533  117.696   44.327 -28.65747 56.81112 
1 1 1   16    6   24 o  158.080   30.042   8.2944   2.7256   7.6570   3.5166   9.2534   4.3134  151.702   40.056  164.458   44.783 -12.75525 60.08362 
1 1 1   16    6   26 o  100.707   29.569   2.2257   2.7320   3.0900   3.2192   0.0012   5.1648  103.275   39.373   98.139   44.125 5.135857 59.13722 
1 1 1   16    6   28 o   75.985   24.265  -0.3079   2.2373   0.7911   2.7213  -2.6003   3.9302   78.304   33.700   73.667   34.920 4.636871 48.52924 
1 1 1   16    6   30 o  116.069   32.018   5.9939   2.8689   5.3905   3.3752   7.5646   5.4459  112.317   40.790  119.822   49.364 -7.504723 64.03608 
1 1 1   16    6   32 o   69.217   24.048  -2.4728   3.1598  -4.2608   5.6739  -1.6690   3.8043   71.233   35.450   67.200   32.504 4.032654 48.09573 
1 1 1   16    7    1 o  935.433   16.100  250.630   8.5857  258.517   12.152  242.770   12.132  950.188   22.426  920.677   23.106 29.51117 32.19967 
1 1 1   16    7    3 o  1369.84   19.976  535.334   14.788  549.286   25.493  528.258   18.155  1381.76   32.351  1357.92   23.444 23.84546 39.95235 
1 1 1   16    7    5 o  736.658   16.462  155.649   6.9061  146.355   9.7725  164.921   9.7608  714.559   23.981  758.758   22.557 -44.19867 32.92339 
1 1 1   16    7    7 o  928.018   19.796  243.872   9.6226  238.496   11.464  256.692   17.703  912.337   22.034  943.699   32.894 -31.36255 39.59190 
1 1 1   16    7    9 o  889.478   23.493  227.041   11.917  227.041   11.917   0.0000   0.0000  889.478   23.493  ?   ?       ?      ? 
1 1 1   16    7   11 o  109.901   37.825   3.2111   2.8700   3.2111   2.8700   0.0000   0.0000  109.901   37.825  ?   ?       ?      ? 
1 1 1   16    7   13 o  945.510   17.608  256.458   8.4940  255.327   9.9818  259.428   16.172  943.754   18.546  947.266   29.936 -3.512451 35.21534 
1 1 1   16    7   15 o  1004.19   15.085  289.803   8.5644  287.458   11.370  292.878   13.022  1000.07   19.935  1008.30   22.646 -8.226501 30.17010 
1 1 1   16    7   17 o  533.892   15.488   82.368   4.7088   78.337   6.7143   86.270   6.6057  520.812   22.606  546.971   21.177 -26.15833 30.97561 
1 1 1   16    7   19 o  529.820   13.302   81.262   3.9984   83.244   5.4259   78.907   5.9147  537.286   17.708  522.353   19.855 14.93268 26.60490 
1 1 1   16    7   21 o  367.899   18.933   39.086   3.9152   34.829   5.0418   45.552   6.2139  343.750   25.719  392.048   27.793 -48.29828 37.86686 
1 1 1   16    7   23 o  227.676   24.190   16.330   3.0048   17.373   3.9861   14.958   4.5730  239.734   29.156  215.617   38.608 24.11749 48.38018 
1 1 1   16    7   25 o   78.695   26.142  -1.3909   2.2644  -1.0647   2.4769  -3.0517   5.5887   65.956   30.013   91.434   42.811 -25.47808 52.28350 
1 1 1   16    7   27 o   70.386   23.113  -1.1817   2.0266  -0.8528   2.3781  -2.0543   3.8735   64.455   29.360   76.317   35.703 -11.86189 46.22505 
1 1 1   16    7   29 o   75.851   24.275  -1.6411   2.1822  -4.0474   2.6630   3.2785   3.8076   52.901   25.938   98.800   41.039 -45.89942 48.54928 
1 1 1   16    7   31 o   94.948   29.199   3.8647   2.7910   3.7817   3.2309   4.1087   5.5404   94.080   38.303   95.817   44.082 -1.737762 58.39841 
1 1 1   16    8    0 o  159.752   33.983   9.0573   3.8166   9.0573   3.8166   9.0573   3.8166  159.752   48.059  159.752   48.059 -0.000000 0.000000 
1 1 1   16    8    2 f  460.385   17.452   60.810   4.5725   65.800   6.5020   55.928   6.4315  479.172   23.794  441.597   25.539 37.57510 34.90494 
1 1 1   16    8    4 o  735.024   16.407  154.818   6.8771  156.846   9.7579  152.817   9.6937  739.817   23.128  730.230   23.277 9.586975 32.81380 
1 1 1   16    8    6 o  1406.54   20.613  565.545   15.671  558.362   19.246  579.677   26.995  1395.23   24.188  1417.84   33.386 -22.61292 41.22696 
1 1 1   16    8    8 o  475.861   21.841   66.904   3.8712   67.450   4.1407   63.116   10.907  485.738   14.948  465.983   41.045 19.75433 43.68212 
1 1 1   16    8   10 o  1283.45   24.529  473.455   17.954  473.455   17.954   0.0000   0.0000  1283.45   24.529  ?   ?       ?      ? 
1 1 1   16    8   12 o  458.211   24.566   61.998   5.1656   62.754   5.8116   59.150   11.273  467.461   21.800  448.961   44.031 18.50006 49.13204 
1 1 1   16    8   14 o  458.484   22.218   51.767   4.3920   47.521   4.7540   76.503   11.474  406.589   20.503  510.378   39.423 -103.7883 44.43542 
1 1 1   16    8   16 o  137.616   37.545   3.8999   2.8086   3.8497   2.9507   4.3832   9.1597  116.394   38.344  158.837   64.562 -42.44286 75.08981 
1 1 1   16    8   18 o  378.475   17.473   42.039   3.5813   42.945   4.4496   40.373   6.0344  385.529   20.238  371.421   28.489 14.10864 34.94579 
1 1 1   16    8   20 o  103.474   30.924   0.9511   3.1403  -2.0179   5.4993   2.3877   3.8254   99.460   45.048  107.488   42.378 -8.027588 61.84852 
1 1 1   16    8   22 o  329.886   21.123   33.327   3.8515   30.217   6.0614   35.432   4.9880  314.261   33.821  345.510   25.314 -31.24905 42.24547 
1 1 1   16    8   24 o  110.866   36.471  -0.9284   4.7895  -9.4466   11.732   0.7749   5.2465  116.857   56.657  104.874   45.939 11.98389 72.94147 
1 1 1   16    8   26 o  143.215   47.857   7.7744   4.5910   0.0000   0.0000   7.7744   4.5910  ?   ?   143.215   47.857      ?      ? 
1 1 1   16    8   28 o  116.528   25.103   3.6845   2.2259  -0.4996   2.9005   9.6786   3.4717   71.461   32.503  161.595   38.264 -90.13353 50.20503 
1 1 1   16    8   30 o   90.838   27.833   2.7784   2.6474   3.6385   2.9740  -0.5043   5.8103   95.948   37.505   85.728   41.135 10.22079 55.66640 
1 1 1   16    9    1 o  480.437   17.108   66.175   4.6841   62.972   6.5805   69.466   6.6692  468.603   24.624  492.270   23.756 -23.66724 34.21535 
1 1 1   16    9    3 o  902.202   15.247  232.714   7.8069  228.911   10.497  237.420   11.678  894.149   20.586  910.255   22.496 -16.10535 30.49378 
1 1 1   16    9    5 o  1149.80   16.144  379.013   10.586  377.076   14.967  380.953   14.974  1146.84   22.885  1152.75   22.778 -5.909424 32.28841 
1 1 1   16    9    7 o  1037.63   20.625  309.713   11.561  309.016   14.227  311.068   19.835  1037.54   24.045  1037.72   33.517 -0.1768799 41.24987 
1 1 1   16    9    9 o  1127.22   22.879  364.820   14.707  364.820   14.707   0.0000   0.0000  1127.22   22.879  ?   ?       ?      ? 
1 1 1   16    9   11 o  420.311   28.026   50.959   6.7178   50.959   6.7178   0.0000   0.0000  420.311   28.026  ?   ?       ?      ? 
1 1 1   16    9   13 o  437.348   14.822   53.794   3.5803   50.498   4.4739   59.665   5.9708  419.477   18.702  455.219   22.999 -35.74167 29.64344 
1 1 1   16    9   15 o  685.975   20.479  131.615   6.8490  127.150   7.8053  146.561   14.280  664.685   20.591  707.266   35.405 -42.58105 40.95756 
1 1 1   16    9   17 o  275.402   38.032   22.454   4.2348   21.846   4.5807   26.027   11.109  273.309   29.389  277.495   70.156 -4.186188 76.06316 
1 1 1   16    9   19 o  239.873   22.033   16.920   3.0000   15.041   4.0392   19.231   4.4802  225.062   31.470  254.685   30.846 -29.62317 44.06647 
1 1 1   16    9   21 o  437.961   21.802   56.158   4.5414   60.592   9.6699   54.904   5.1440  442.526   38.317  433.396   20.812 9.129913 43.60412 
1 1 1   16    9   23 o  135.473   37.694   5.1843   3.7949   5.9920   7.9697   4.9475   4.3155  144.582   59.658  126.364   46.088 18.21870 75.38712 
1 1 1   16    9   25 o  267.466   55.104   27.511   8.1254   0.0000   0.0000   27.511   8.1254  ?   ?   267.466   55.104      ?      ? 
1 1 1   16    9   27 o   85.555   28.618  -2.2158   3.5971  -2.7800   5.8952  -1.8812   4.5404   89.091   42.387   82.019   38.461 7.071411 57.23579 
1 1 1   16    9   29 o   92.409   30.039   1.4536   3.6702   2.7710   4.6392  -0.7501   6.0003   96.111   42.603   88.707   42.359 7.403900 60.07740 
1 1 1   16    9   31 o   50.287   18.424  -3.8364   1.4858  -3.6401   1.5653  -5.6244   4.7230   36.172   18.097   64.402   32.097 -28.22940 36.84755 
1 1 1   16   10    0 o  1294.72   16.202  479.706   16.907  479.706   16.907  479.706   16.907  1294.72   22.914  1294.72   22.914 0.000000 0.000000 
1 1 1   16   10    2 o  946.969   16.034  256.993   8.6559  247.130   12.144  267.179   12.341  928.448   22.936  965.492   22.413 -37.04395 32.06862 
1 1 1   16   10    4 o  1005.61   16.092  290.039   9.2263  283.701   13.074  296.329   13.022  994.587   23.049  1016.63   22.461 -22.04266 32.18359 
1 1 1   16   10    6 o  1486.76   23.826  638.751   20.199  653.123   28.755  624.752   28.380  1503.36   33.539  1470.16   33.850 33.19641 47.65205 
1 1 1   16   10    8 o  280.423   20.567   24.589   2.8023   26.789   3.2984   18.879   5.3133  305.787   18.914  255.059   36.528 50.72809 41.13491 
1 1 1   16   10   10 o  768.715   22.890  169.797   10.035  169.797   10.035   0.0000   0.0000  768.715   22.890  ?   ?       ?      ? 
1 1 1   16   10   12 o  511.054   18.122   74.909   5.2817   74.909   5.2817   0.0000   0.0000  511.054   18.122  ?   ?       ?      ? 
1 1 1   16   10   14 f  367.299   25.512   39.003   5.3439   39.003   5.3439   0.0000   0.0000  367.299   25.512  ?   ?       ?      ? 
1 1 1   16   10   16 o  183.769   28.912   7.5616   2.5009   5.4629   2.7660   16.964   5.8545  133.719   35.629  233.819   45.543 -100.0995 57.82365 
1 1 1   16   10   18 o  138.018   42.607   0.9033   6.2365   3.1832   7.5805  -3.8719   10.971  139.679   57.953  136.357   62.473 3.321777 85.21414 
1 1 1   16   10   20 o  211.815   39.321   16.420   4.9924   10.327   8.2443   19.949   6.2734  175.586   63.753  248.045   46.044 -72.45912 78.64165 
1 1 1   16   10   22 o  225.087   31.162   17.646   3.6405   13.865   6.2565   19.581   4.4762  196.774   54.081  253.400   30.975 -56.62598 62.32373 
1 1 1   16   10   26 o  110.549   34.458   2.3307   4.4070   4.8122   5.3528  -2.8905   7.7644  119.568   49.062  101.529   48.399 18.03915 68.91698 
1 1 1   16   10   28 o  141.694   37.998   10.161   4.0320   11.882   8.0830   9.5906   4.6521  138.426   58.785  144.961   48.165 -6.535217 75.99677 
1 1 1   16   10   30 o   82.245   27.869  -0.0132   3.6522  -5.7079   7.8957   1.5369   4.1193   80.932   40.513   83.559   38.282 -2.627213 55.73887 
1 1 1   16   11    1 o  646.078   16.353  119.604   6.0214  116.170   8.3303  123.361   8.7137  636.407   22.953  655.750   23.301 -19.34320 32.70695 
1 1 1   16   11    3 o  527.324   17.051   80.094   5.1085   84.034   7.0454   75.726   7.4181  541.228   22.826  513.419   25.335 27.80859 34.10141 
1 1 1   16   11    5 o  1623.81   16.786  757.165   15.544  763.727   22.022  750.649   21.942  1630.85   23.678  1616.77   23.798 14.08167 33.57107 
1 1 1   16   11    7 o  1259.92   23.525  459.408   16.900  460.252   24.121  458.593   23.687  1260.90   33.544  1258.94   32.992 1.965088 47.04985 
1 1 1   16   11    9 o  433.132   19.689   51.566   4.2224   49.161   4.8333   59.319   8.6767  413.935   20.475  452.329   33.636 -38.39395 39.37762 
1 1 1   16   11   11 o  532.167   24.181   81.941   6.4292   81.424   7.4660   83.425   12.646  531.531   24.630  532.804   41.620 -1.273254 48.36157 
1 1 1   16   11   13 o  483.461   13.821   66.915   3.8107   66.915   3.8107   0.0000   0.0000  483.461   13.821  ?   ?       ?      ? 
1 1 1   16   11   15 o  673.013   25.024  131.683   9.1199  127.988   11.196  138.970   15.723  662.364   29.639  683.662   40.328 -21.29779 50.04799 
1 1 1   16   11   17 o  179.172   43.192   10.257   4.9087   11.124   5.5226   6.9936   10.713  185.786   50.707  172.558   69.935 13.22818 86.38329 
1 1 1   16   11   19 o  189.130   45.154   11.292   5.0218   10.477   5.6377   14.423   11.049  177.315   52.226  200.946   73.676 -23.63135 90.30898 
1 1 1   16   11   21 o  374.086   40.859   58.069   5.6976   63.793   6.3327   33.749   13.053  464.149   23.924  284.023   78.138 180.1267 81.71892 
1 1 1   16   11   23 f  231.512   48.902   23.788   8.3508   8.5388   11.993   38.139   11.635  159.092   69.578  303.932   68.736 -144.8404 97.80492 
1 1 1   16   11   25 o  220.121   48.215   18.911   5.6810   14.606   6.3661   35.744   12.589  187.097   55.598  253.145   78.789 -66.04834 96.43066 
1 1 1   16   11   27 o  148.352   36.626   4.9845   3.5883   23.230   7.9974   0.3856   4.0151  211.060   62.214   85.644   38.668 125.4160 73.25141 
1 1 1   16   11   29 f  107.181   33.882   5.7693   4.1619   5.2198   7.9647   5.9757   4.8814  104.904   49.723  109.459   46.038 -4.554817 67.76302 
1 1 1   16   12    0 o  629.910   16.175  113.954   8.1927  113.954   8.1927  113.954   8.1927  629.910   22.875  629.910   22.875 0.000000 0.000000 
1 1 1   16   12    2 o  356.793   20.234   36.662   4.1127   36.989   5.9680   36.367   5.6756  358.228   29.213  355.359   28.006 2.869110 40.46899 
1 1 1   16   12    4 o  910.289   15.706  237.419   8.1382  231.724   11.121  243.986   11.941  898.690   21.698  921.888   22.713 -23.19830 31.41202 
1 1 1   16   12    6 o  489.268   25.406   69.282   7.0783   73.813   10.344   65.291   9.7069  504.259   35.970  474.276   35.889 29.98297 50.81146 
1 1 1   16   12    8 o  582.794   20.489   98.717   6.4207   96.095   11.026  100.063   7.8977  575.647   33.588  589.940   23.475 -14.29346 40.97835 
1 1 1   16   12   10 o  888.196   19.107  224.337   9.0355  218.196   10.900  237.823   16.154  871.022   21.944  905.371   31.286 -34.34906 38.21446 
1 1 1   16   12   12 o  454.842   28.670   63.934   6.3498   67.108   7.4014   55.086   12.359  481.480   26.955  428.205   50.610 53.27505 57.34094 
1 1 1   16   12   14 o  521.591   22.389   72.683   4.2739   70.712   4.5236   89.069   13.044  496.368   15.980  546.814   41.829 -50.44580 44.77814 
1 1 1   16   12   16 o  242.162   45.096   17.288   6.4240   9.9087   7.9481   31.191   10.909  179.027   62.870  305.297   64.669 -126.2708 90.19286 
1 1 1   16   12   18 o  126.961   40.521  -2.7823   5.9621  -5.9598   7.4014   3.0896   10.062  103.485   48.710  150.436   64.771 -46.95129 81.04290 
1 1 1   16   12   20 o  140.511   43.339   2.5659   6.2751   1.3119   7.8047   4.8587   10.553  127.595   55.958  153.426   66.195 -25.83170 86.67782 
1 1 1   16   12   22 o  279.317   39.758   23.483   5.0057   38.451   11.909   20.270   5.5167  307.206   69.587  251.428   38.475 55.77876 79.51544 
1 1 1   16   12   24 o  128.074   54.741   4.7468   7.0918   0.0000   0.0000   4.7468   7.0918  ?   ?   128.074   54.741      ?      ? 
1 1 1   16   12   26 o  117.416   35.457   0.6488   3.5352   14.132   7.9346  -2.6907   3.9488  161.348   61.741   73.484   34.883 87.86387 70.91404 
1 1 1   16   12   28 o   92.790   30.450   1.1002   4.0519  -5.8192   7.7880   3.6683   4.7446   85.330   42.307  100.250   43.806 -14.91973 60.90028 
1 1 1   16   12   30 o  128.586   34.362   8.9731   3.2485   16.626   5.9571   5.7342   3.8755  153.745   54.387  103.426   42.012 50.31985 68.72332 
1 1 1   16   13    1 o  732.285   16.269  153.919   6.7924  158.177   9.7390  149.887   9.4782  742.138   23.011  722.432   23.006 19.70660 32.53875 
1 1 1   16   13    3 o  1279.70   16.299  470.397   11.894  464.706   16.786  476.136   16.856  1271.89   23.143  1287.51   22.957 -15.62366 32.59766 
1 1 1   16   13    5 o  1489.36   16.615  637.572   14.112  636.556   19.925  638.594   19.990  1488.19   23.477  1490.55   23.517 -2.360474 33.22946 
1 1 1   16   13    7 o  297.967   31.402   25.985   5.3198   27.540   7.9076   24.700   7.1901  305.885   45.331  290.050   43.468 15.83548 62.80415 
1 1 1   16   13    9 o  462.220   24.061   62.349   6.3195   56.216   8.9178   68.536   8.9565  438.872   35.631  485.569   32.344 -46.69754 48.12178 
1 1 1   16   13   11 o  796.584   14.888  182.921   6.4793  183.672   8.0901  181.578   10.820  799.938   17.734  793.230   23.920 6.708557 29.77633 
1 1 1   16   13   13 o  241.318   34.656   17.110   4.7694   17.110   4.7694   0.0000   0.0000  241.318   34.656  ?   ?       ?      ? 
1 1 1   16   13   15 o  195.763   45.169   9.6509   6.0628   3.2067   7.5245   21.578   10.237  140.630   57.991  250.896   69.268 -110.2664 90.33787 
1 1 1   16   13   17 o  189.589   38.465   12.662   3.9496   13.689   4.2617   6.4117   10.515  213.307   35.034  165.870   68.490 47.43610 76.93024 
1 1 1   16   13   19 o  444.848   16.934   58.450   4.2206   57.931   6.5897   58.811   5.4959  441.740   26.158  447.956   21.513 -6.216461 33.86830 
1 1 1   16   13   21 o  231.603   34.622   18.641   4.4243   19.245   6.0936   17.968   6.4341  237.632   46.631  225.574   51.189 12.05836 69.24402 
1 1 1   16   13   23 o  104.426   48.551  -1.8478   6.9861   0.0000   0.0000  -1.8478   6.9861  ?   ?   104.426   48.551      ?      ? 
1 1 1   16   13   25 o  188.382   37.305   14.104   4.3257   8.7249   5.5203   22.660   6.9627  142.900   52.125  233.864   53.382 -90.96365 74.61028 
1 1 1   16   13   27 o  106.280   33.116   3.8056   3.9893   6.5984   5.7167   1.1546   5.5696  118.139   49.762   94.421   43.708 23.71824 66.23177 
1 1 1   16   13   29 o   89.219   29.158   2.3295   3.4080   0.8631   4.4149   4.4916   5.3610   81.343   38.075   97.095   44.172 -15.75181 58.31688 
1 1 1   16   14    0 o   53.573   25.692  -1.7093   3.3225  -1.7093   3.3225  -1.7093   3.3225   53.573   36.334   53.573   36.334 -0.000000 0.000000 
1 1 1   16   14    2 o  763.272   16.503  167.436   7.1822  168.450   10.273  166.467   10.045  765.482   23.532  761.062   23.145 4.419250 33.00663 
1 1 1   16   14    4 o  429.273   18.288   53.090   4.4762   53.546   6.2903   52.621   6.3711  431.190   25.580  427.357   26.142 3.833282 36.57510 
1 1 1   16   14    6 o  398.344   26.980   46.183   6.1174   49.556   8.9853   43.268   8.3520  411.826   38.258  384.862   38.053 26.96362 53.96042 
1 1 1   16   14    8 o  591.373   23.869  101.073   8.0129   89.527   10.816  115.118   11.929  554.071   34.231  628.675   33.273 -74.60352 47.73762 
1 1 1   16   14   10 o  354.435   19.525   36.497   3.9354   33.801   5.6129   39.105   5.5194  341.266   28.840  367.605   26.328 -26.33939 39.05031 
1 1 1   16   14   12 o  341.034   20.106   33.411   3.8643   31.157   5.0283   36.662   6.0395  327.528   26.920  354.541   29.871 -27.01230 40.21132 
1 1 1   16   14   14 o  517.773   24.264   77.945   7.1647   77.945   7.1647   0.0000   0.0000  517.773   24.264  ?   ?       ?      ? 
1 1 1   16   14   16 o  195.794   45.626   13.386   6.1404   16.359   7.7141   8.2452   10.144  218.761   60.021  172.827   68.733 45.93417 91.25108 
1 1 1   16   14   18 o  107.189   35.642  -3.7974   4.8032  -3.4192   5.5249  -4.9681   9.7202   93.276   43.303  121.103   56.625 -27.82658 71.28490 
1 1 1   16   14   20 o  172.824   33.943   9.6214   4.2582   18.581   6.0421   0.7802   6.0022  233.864   46.935  111.784   49.047 122.0801 67.88602 
1 1 1   16   14   22 o  180.502   42.756   14.236   5.4210   8.9286   10.929   15.968   6.2432  155.266   67.175  205.737   52.912 -50.47093 85.51133 
1 1 1   16   14   24 o   89.669   31.713 -10.6051   5.4520  -8.4562   10.598 -11.3785   6.3578  104.121   51.192   75.216   37.447 28.90451 63.42661 
1 1 1   16   14   26 o   97.311   30.148  -2.5114   3.3364   9.2011   5.8230  -8.2361   4.0710  135.800   52.646   58.823   29.392 76.97684 60.29546 
1 1 1   16   14   28 o   70.625   24.483  -5.5596   3.4351   0.5943   4.7730 -12.1722   4.9477   83.671   39.299   57.579   29.212 26.09183 48.96681 
1 1 1   16   15    1 o  657.932   16.476  124.497   6.1810  121.582   8.6630  127.521   8.8216  650.071   23.368  665.792   23.234 -15.72192 32.95222 
1 1 1   16   15    3 o  218.978   27.058   14.241   3.2986   15.514   4.6884   12.993   4.6417  230.762   35.626  207.194   40.735 23.56772 54.11649 
1 1 1   16   15    5 o  484.515   15.472   68.883   3.9423   71.198   4.7799   63.957   6.9716  498.380   16.818  470.649   25.974 27.73096 30.94349 
1 1 1   16   15    7 o  867.971   26.631  217.895   13.182   0.0000   0.0000  217.895   13.182  ?   ?   867.971   26.631      ?      ? 
1 1 1   16   15    9 o  441.869   25.988   57.043   6.5157   54.600   8.7152   60.140   9.8109  431.656   35.404  452.081   38.054 -20.42526 51.97598 
1 1 1   16   15   11 o  567.252   17.302   93.377   5.5864   88.909   8.0130   97.602   7.7924  553.690   25.377  580.814   23.526 -27.12335 34.60396 
1 1 1   16   15   13 o  565.721   16.359   91.423   5.2339   81.074   6.8894  105.548   8.0488  528.585   22.854  602.857   23.411 -74.27167 32.71709 
1 1 1   16   15   15 o  151.428   56.018   6.6073   6.4103   6.6073   6.4103   0.0000   0.0000  151.428   56.018  ?   ?       ?      ? 
1 1 1   16   15   17 o  137.116   39.422   1.8977   5.7576   9.4546   7.2080 -11.4235   9.5702  168.063   59.785  106.168   51.401 61.89485 78.84356 
1 1 1   16   15   19 o  174.641   38.424   11.214   4.8057   3.8599   7.6038   16.106   6.2012  134.903   57.137  214.379   51.390 -79.47600 76.84775 
1 1 1   16   15   21 o  154.509   43.288   6.9423   5.0739   15.559   10.059   4.0020   5.8761  185.314   69.851  123.705   51.150 61.60896 86.57623 
1 1 1   16   15   23 o  265.709   37.104   29.117   4.9901   31.829   6.0117   23.110   8.9479  311.510   33.840  219.908   66.043 91.60234 74.20846 
1 1 1   16   15   25 o  107.334   32.847   3.1835   3.6869   6.2434   5.7034   0.9870   4.8324  121.297   50.293   93.371   42.265 27.92583 65.69385 
1 1 1   16   15   27 o   79.637   27.256  -2.6143   3.8217  -5.3766   5.3833   0.1925   5.4264   72.560   35.829   86.714   41.084 -14.15446 54.51241 
1 1 1   16   15   29 o   75.143   26.092  -1.9370   3.7955   1.5946   5.6159  -4.9063   5.1495   83.140   40.034   67.146   33.473 15.99357 52.18404 
1 1 1   16   16    0 o  109.814   38.540   5.1992   4.1236   5.1992   4.1236   5.1992   4.1236  109.814   54.504  109.814   54.504 -0.000000 0.000000 
1 1 1   16   16    2 f  908.949   16.356  237.882   8.4752  243.910   12.182  232.227   11.799  920.067   23.217  897.832   23.043 22.23486 32.71141 
1 1 1   16   16    4 o  393.886   19.604   44.800   4.3976   47.596   6.4179   42.326   6.0376  405.430   27.758  382.342   27.690 23.08783 39.20753 
1 1 1   16   16    6 o  185.730   30.976   10.795   3.2606   8.2436   4.7730   13.028   4.4648  164.195   47.967  207.266   39.209 -43.07143 61.95287 
1 1 1   16   16   10 o  785.956   15.303  177.641   6.7562  173.857   8.7827  183.127   10.574  776.567   19.832  795.345   23.313 -18.77783 30.60686 
1 1 1   16   16   12 o  328.836   21.423   31.647   3.8998   22.407   5.2751   42.783   5.7912  274.971   33.640  382.701   26.535 -107.7298 42.84552 
1 1 1   16   16   14 o   91.073   25.243   1.5476   1.9706   2.6141   2.5081  -0.1726   3.1852   98.922   35.258   83.223   36.136 15.69858 50.48665 
1 1 1   16   16   16 o  235.636   56.191   19.211   7.4448   19.211   7.4448   0.0000   0.0000  235.636   56.191  ?   ?       ?      ? 
1 1 1   16   16   18 o  158.095   44.526   8.0513   5.9246   7.8368   7.5409   8.3971   9.5765  154.704   59.929  161.486   65.868 -6.781540 89.05122 
1 1 1   16   16   20 o  103.993   31.991   1.0932   3.3736   1.7596   5.8144   0.7551   4.1421  112.588   48.854   95.399   41.314 17.18867 63.98106 
1 1 1   16   16   22 o  127.203   55.399   4.6923   7.5320   0.0000   0.0000   4.6923   7.5320  ?   ?   127.203   55.399      ?      ? 
1 1 1   16   16   24 f  143.826   38.191   9.8148   4.2450   9.8512   5.9752   9.7776   6.0319  144.199   53.936  143.452   54.085 0.7470551 76.38254 
1 1 1   16   16   26 o   85.449   28.918  -3.0130   4.0714   4.0240   5.9946  -9.0384   5.5470  103.059   46.818   67.839   33.959 35.21917 57.83651 
1 1 1   16   16   28 o  112.145   31.629   7.9192   3.3053   5.7563   8.0553   8.3571   3.6245   96.539   46.838  127.752   42.517 -31.21331 63.25746 
1 1 1   16   17    1 o  771.729   16.420  171.734   7.2260  169.951   10.136  173.578   10.305  767.681   23.152  775.777   23.292 -8.096191 32.84070 
1 1 1   16   17    3 o  301.234   23.287   26.531   3.9382   32.787   5.7024   20.826   5.4454  335.887   29.770  266.581   35.818 69.30548 46.57447 
1 1 1   16   17    5 o  713.164   16.799  146.797   6.8252  156.374   9.7712  137.672   9.5377  736.046   23.278  690.282   24.228 45.76379 33.59881 
1 1 1   16   17    9 o  435.117   18.419   55.086   4.5687   55.316   6.5572   54.870   6.3691  435.886   26.379  434.349   25.713 1.536438 36.83711 
1 1 1   16   17   11 o  282.909   22.199   23.623   3.5579   20.202   4.9278   27.349   5.1422  260.974   33.110  304.845   29.579 -43.87057 44.39804 
1 1 1   16   17   13 o  111.014   29.374   2.2006   2.3637   0.8440   2.7965   5.5938   4.4228   85.438   35.303  136.591   46.958 -51.15360 58.74867 
1 1 1   16   17   15 o  216.360   45.675   16.384   5.9380   13.494   7.5015   21.232   9.7172  194.686   60.857  238.034   68.127 -43.34860 91.35004 
1 1 1   16   17   17 o   91.217   43.865  -7.3150   6.6890  -7.3150   6.6890   0.0000   0.0000   91.217   43.865  ?   ?       ?      ? 
1 1 1   16   17   19 o  150.507   41.778   5.0655   4.9736   16.095   9.4198   0.8020   5.8566  192.214   68.348  108.800   48.065 83.41370 83.55643 
1 1 1   16   17   21 f  154.464   37.975   10.157   5.1002  -2.4156   9.7844   14.847   5.9764  115.075   54.708  193.854   52.683 -78.77811 75.95057 
1 1 1   16   17   23 o  117.280   36.559   4.2496   4.4856   3.2154   5.4246   6.4860   7.9767  108.079   47.043  126.480   55.974 -18.40083 73.11721 
1 1 1   16   17   25 o   93.975   31.220   0.6884   3.4742   5.1235   7.4740  -0.5340   3.9239  109.915   50.793   78.035   36.316 31.87952 62.44044 
1 1 1   16   17   27 o   87.047   29.880   0.8997   4.5194   1.7209   7.4720   0.4259   5.6752   90.398   44.137   83.697   40.288 6.701134 59.75947 
1 1 1   16   18    0 o  811.531   16.195  189.403   10.581  189.403   10.581  189.403   10.581  811.531   22.904  811.531   22.904 -0.000000 0.000000 
1 1 1   16   18    2 o  666.918   16.693  128.535   6.3481  128.212   8.8944  128.871   9.0631  666.136   23.413  667.700   23.801 -1.563293 33.38680 
1 1 1   16   18    4 o  161.545   38.248   7.5284   3.9169   8.1773   7.1241   7.2472   4.6893  168.575   59.492  154.515   48.086 14.06021 76.49596 
1 1 1   16   18    6 o  334.968   28.985   33.397   5.4652   26.746   7.4740   41.041   8.0120  298.099   43.964  371.837   37.783 -73.73776 57.96902 
1 1 1   16   18    8 o  671.514   37.268  134.478   14.272  134.478   14.272   0.0000   0.0000  671.514   37.268  ?   ?       ?      ? 
1 1 1   16   18   10 o  809.717   16.549  190.891   7.6402  194.620   10.938  187.337   10.677  817.393   23.464  802.041   23.343 15.35284 33.09755 
1 1 1   16   18   12 o  390.584   28.388   47.606   5.2561   45.119   10.814   48.376   6.0144  375.733   50.466  405.434   26.012 -29.70096 56.77532 
1 1 1   16   18   14 o  221.755   23.604   13.653   2.7785   9.8936   3.3888   21.365   4.8534  177.604   34.702  265.907   32.006 -88.30292 47.20820 
1 1 1   16   18   16 o  237.788   37.003   15.058   4.1740   11.200   4.6479   31.133   9.4884  182.114   45.011  293.462   58.745 -111.3477 74.00637 
1 1 1   16   18   18 f   93.913   46.110 -11.7334   8.5063 -11.7334   8.5063   0.0000   0.0000   93.913   46.110  ?   ?       ?      ? 
1 1 1   16   18   20 o  117.523   33.966   4.0163   3.7604  -6.0861   9.1457   6.0716   4.1252  104.758   50.604  130.288   45.319 -25.53037 67.93116 
1 1 1   16   18   22 o  166.899   45.930   17.047   6.9533   10.927   12.398   19.856   8.3985  140.773   65.182  193.025   64.727 -52.25211 91.85972 
1 1 1   16   18   24 o  127.191   33.717   7.8358   3.7109   10.715   4.7485   3.3189   5.9477  151.181   48.562  103.201   46.786 47.97995 67.43317 
1 1 1   16   18   26 o   81.524   28.486  -3.4540   4.3685   3.4468   7.2484  -7.3904   5.4745   95.620   45.898   67.427   33.750 28.19276 56.97124 
1 1 1   16   19    1 o  315.922   20.239   29.138   3.6463   29.194   5.1375   29.082   5.1759  316.260   28.485  315.582   28.759 0.6779175 40.47816 
1 1 1   16   19    3 o  290.604   22.161   24.794   3.6711   23.823   5.1543   25.794   5.2300  284.721   31.744  296.487   30.932 -11.76535 44.32196 
1 1 1   16   19    5 o  601.967   17.331  105.245   5.9387   96.776   8.2609  114.304   8.5434  576.637   25.121  627.297   23.882 -50.65967 34.66116 
1 1 1   16   19    7 o  766.553   23.560  174.456   10.278  175.240   14.118  173.572   14.993  769.401   32.176  763.705   34.424 5.696228 47.11956 
1 1 1   16   19    9 o  340.467   32.967   41.627   4.3187   28.431   9.9727   44.673   4.7913  288.925   62.354  392.009   21.432 -103.0841 65.93419 
1 1 1   16   19   11 o  620.525   17.478  113.198   6.1804  118.443   8.7584  107.996   8.7226  635.247   24.176  605.803   25.248 29.44391 34.95622 
1 1 1   16   19   13 o  319.852   19.967   30.656   3.6299   28.095   5.1597   33.165   5.1076  305.878   29.579  333.825   26.829 -27.94647 39.93387 
1 1 1   16   19   15 o  358.716   30.674   41.941   5.0667   40.955   10.773   42.221   5.7412  342.477   55.161  374.954   26.849 -32.47638 61.34814 
1 1 1   16   19   17 o  150.661   62.411   7.7005   8.7714   0.0000   0.0000   7.7005   8.7714  ?   ?   150.661   62.411      ?      ? 
1 1 1   16   19   19 o  231.878   38.025   19.304   4.4250   17.333   5.1070   25.240   8.8634  222.964   41.697  240.792   63.599 -17.82791 76.04941 
1 1 1   16   19   21 o  120.025   39.274   3.4634   6.3205  -1.0015   11.709   5.2992   7.5084  116.805   56.625  123.246   54.436 -6.441116 78.54717 
1 1 1   16   19   23 o  102.193   33.263  -0.1222   4.4318   9.2829   7.2205  -5.8069   5.6136  128.510   55.089   75.877   37.296 52.63278 66.52648 
1 1 1   16   19   25 o  108.224   33.582   6.6661   3.9859   6.8793   5.3900   6.4088   5.9213  109.897   47.361  106.550   47.623 3.347717 67.16444 
1 1 1   16   20    0 o  168.695   36.119   10.343   4.2877   10.343   4.2877   10.343   4.2877  168.695   51.080  168.695   51.080 -0.000000 0.000000 
1 1 1   16   20    2 o  390.862   18.643   44.650   4.1552   44.026   5.8838   45.270   5.8688  388.059   26.587  393.666   26.142 -5.606812 37.28584 
1 1 1   16   20    4 o  165.136   31.883   8.5354   3.2944   4.5234   4.6468   12.590   4.6712  130.081   47.767  200.191   42.243 -70.11050 63.76638 
1 1 1   16   20    6 o  751.797   23.391  168.445   10.027  166.656   14.026  170.316   14.340  747.907   32.885  755.687   33.274 -7.779724 46.78241 
1 1 1   16   20    8 o  1067.38   16.646  333.358   10.130  341.497   14.315  325.194   14.338  1080.80   23.224  1053.97   23.854 26.82837 33.29249 
1 1 1   16   20   10 o  403.371   30.903   51.395   7.0432   49.193   10.521   53.182   9.4810  392.555   46.997  414.186   40.139 -21.63141 61.80517 
1 1 1   16   20   12 o  110.199   27.949   2.8076   2.1647   1.4896   2.6288   5.5842   3.8154   87.903   34.979  132.496   43.600 -44.59322 55.89732 
1 1 1   16   20   14 o  288.218   21.216   25.343   3.4812   24.723   5.0273   25.914   4.8252  284.187   31.020  292.249   28.952 -8.062653 42.43121 
1 1 1   16   20   16 o  150.488   45.345   7.4403   6.8375   6.8467   10.248   7.9166   9.1793  149.399   64.842  151.577   63.404 -2.178116 90.68970 
1 1 1   16   20   18 o  111.121   44.682   3.5157   4.3360   0.0000   0.0000   3.5157   4.3360  ?   ?   111.121   44.682      ?      ? 
1 1 1   16   20   20 o  168.141   47.512   17.100   6.9758   16.643   12.299   17.316   8.4701  157.583   69.633  178.699   64.661 -21.11630 95.02485 
1 1 1   16   20   22 o  157.235   38.221   12.668   3.8655   16.418   12.128   12.244   4.0782  138.623   64.285  175.846   41.360 -37.22275 76.44115 
1 1 1   16   20   24 o  108.744   33.896   6.2229   3.8458   8.4525   7.3629   5.3864   4.5098  112.392   51.377  105.097   44.229 7.295296 67.79244 
1 1 1   16   21    1 o   95.540   28.262   0.8479   2.5950   1.5464   3.5637   0.0594   3.7863   99.213   40.292   91.867   39.643 7.346375 56.52404 
1 1 1   16   21    3 o  138.739   30.534   5.9941   2.6738   5.9550   3.7937   6.0327   3.7690  138.380   43.282  139.098   43.081 -0.7173920 61.06788 
1 1 1   16   21    5 o  206.538   38.256   14.421   4.6220   17.087   6.4490   11.605   6.6277  227.600   50.955  185.475   57.076 42.12422 76.51198 
1 1 1   16   21    7 o  457.561   18.535   61.902   4.8307   59.566   6.9033   64.143   6.7621  448.622   26.983  466.499   25.418 -17.87665 37.06931 
1 1 1   16   21    9 o  470.122   29.001   70.325   7.6172   59.059   11.201   80.016   10.389  429.345   45.747  510.898   35.658 -81.55353 58.00248 
1 1 1   16   21   11 o  225.241   23.811   15.410   3.0381   13.277   4.0777   18.071   4.5549  207.540   34.453  242.942   32.876 -35.40179 47.62176 
1 1 1   16   21   13 o  127.909   30.875   5.1667   2.7334   3.8746   3.7356   6.6557   4.0102  115.245   42.737  140.572   44.572 -25.32726 61.75036 
1 1 1   16   21   15 o  138.122   26.715   5.2049   2.3794   1.6486   2.9740   11.531   3.9664   90.647   36.809  185.596   38.726 -94.94891 53.42904 
1 1 1   16   21   17 o  166.351   46.516   13.307   7.2672   4.6570   11.460   19.125   9.3987  136.669   63.065  196.034   68.393 -59.36497 93.03118 
1 1 1   16   21   19 o  168.774   43.192   14.019   5.2029   11.904   6.5539   17.623   8.5562  158.314   56.934  179.234   64.968 -20.92041 86.38461 
1 1 1   16   21   21 o  117.877   38.565   6.1914   6.4758  -1.0646   11.763   9.3472   7.7573  107.185   52.932  128.569   56.101 -21.38425 77.13082 
1 1 1   16   21   23 o   85.093   29.596  -2.7075   4.6161   2.3600   7.7273  -5.5194   5.7561   96.597   46.627   73.589   36.466 23.00797 59.19280 
1 1 1   16   21   25 o   71.855   25.029  -2.4023   3.6246  -1.5143   4.6641  -3.7563   5.7591   71.834   35.029   71.875   35.761 -0.4077911E-01 50.05847 
1 1 1   16   22    0 o  287.825   23.693   25.196   5.3054   25.196   5.3054   25.196   5.3054  287.825   33.507  287.825   33.507 -0.000000 0.000000 
1 1 1   16   22    2 o  111.778   30.358   3.0007   2.7055   2.9246   3.6181   3.0972   4.0749  109.492   41.741  114.064   44.091 -4.572044 60.71508 
1 1 1   16   22    4 o  136.758   35.674   5.3986   3.5943   5.4036   4.5257   5.3902   5.9150  134.069   47.406  139.448   53.321 -5.378967 71.34741 
1 1 1   16   22    6 o  326.868   20.755   32.132   3.8419   36.237   5.4282   28.012   5.4385  348.945   27.277  304.790   31.288 44.15472 41.50933 
1 1 1   16   22    8 o  638.117   17.244  120.780   6.2636  127.993   8.8133  113.418   8.9037  658.267   23.477  617.966   25.265 40.30176 34.48863 
1 1 1   16   22   10 o  164.271   35.094   9.6957   3.5617   10.761   4.2746   7.2770   6.4411  179.693   42.398  148.848   55.935 30.84465 70.18806 
1 1 1   16   22   12 o  220.298   25.216   15.469   3.0727   13.237   4.2618   17.886   4.4342  200.688   38.640  239.909   32.410 -39.22168 50.43254 
1 1 1   16   22   14 o  304.782   18.311   29.395   2.7806   25.734   5.2173   30.848   3.2862  285.845   32.005  323.719   17.801 -37.87372 36.62230 
1 1 1   16   22   16 o  113.871   29.842   3.2844   2.5983   7.5200   4.4092   1.0312   3.2159  141.184   46.890   86.558   36.926 54.62598 59.68418 
1 1 1   16   22   18 o  126.843   39.407   6.3093   5.2286   5.0297   10.808   6.7002   5.9742  126.100   59.199  127.586   52.031 -1.486366 78.81476 
1 1 1   16   22   20 o  202.345   51.365   27.900   7.4410   47.261   12.858   18.151   9.1241  246.038   79.994  158.652   64.455 87.38536 102.7306 
1 1 1   16   22   22 o   91.079   30.569   0.3173   4.7046  -9.6504   8.2771   5.0744   5.7181   79.056   39.829  103.103   46.386 -24.04752 61.13878 
1 1 1   16   22   24 o  115.275   33.774   9.2605   5.0523  -8.1021   8.6629   18.210   6.2196   75.933   38.536  154.616   55.478 -78.68314 67.54868 
1 1 1   16   23    1 o  451.501   17.940   60.419   4.6193   60.730   6.5297   60.107   6.5356  452.719   25.291  450.283   25.451 2.435730 35.88072 
1 1 1   16   23    3 o  434.069   27.536   60.232   6.6017   71.377   8.9940   47.213   9.7206  484.394   32.558  383.745   44.418 100.6486 55.07258 
1 1 1   16   23    5 o  170.015   34.309   10.307   3.5989   12.228   4.4972   6.8870   6.0018  193.077   42.035  146.953   54.235 46.12445 68.61735 
1 1 1   16   23    7 o  379.920   20.068   43.574   4.3457   44.446   6.0964   42.673   6.1964  384.193   27.825  375.647   28.924 8.545319 40.13518 
1 1 1   16   23    9 o  270.281   22.374   22.649   3.3944   27.118   4.8237   18.265   4.7774  298.895   28.299  241.666   34.664 57.22916 44.74884 
1 1 1   16   23   11 o  294.548   37.794   31.934   6.0473   27.297   9.1285   35.561   8.0728  263.195   61.862  325.901   43.436 -62.70657 75.58845 
1 1 1   16   23   13 o  125.746   29.022   5.2399   2.6026   2.3021   3.7590   7.9451   3.6071  100.652   41.185  150.839   40.902 -50.18705 58.04492 
1 1 1   16   23   15 o  229.100   22.598   16.987   2.9494   16.643   4.0651   17.369   4.2858  227.146   31.382  231.054   32.525 -3.907730 45.19627 
1 1 1   16   23   17 o  238.705   40.325   23.229   4.1453   30.974   11.206   22.001   4.4618  218.814   74.761  258.596   30.255 -39.78267 80.65081 
1 1 1   16   23   19 o   81.998   40.646  -7.3795   7.1739   0.0000   0.0000  -7.3795   7.1739  ?   ?    81.998   40.646      ?      ? 
1 1 1   16   23   21 o   84.830   39.407  -2.2570   4.2661 -23.3656   11.617   1.0332   4.5866  ?   ?    84.830   39.407      ?      ? 
1 1 1   16   23   23 o   73.861   26.076  -3.1185   4.0152  -4.4084   8.1266  -2.7019   4.6183   78.689   39.621   69.033   33.911 9.656441 52.15137 
1 1 1   16   24    0 o  219.093   27.737   15.555   4.4334   15.555   4.4334   15.555   4.4334  219.093   39.226  219.093   39.226 -0.000000 0.000000 
1 1 1   16   24    2 o  255.926   28.261   18.863   3.8690   27.234   7.1586   15.409   4.5984  289.836   43.310  222.016   36.319 67.82057 56.52239 
1 1 1   16   24    4 o  200.383   39.134   14.828   4.7316   17.787   6.5042   11.503   6.8961  224.617   51.830  176.148   58.647 48.46844 78.26753 
1 1 1   16   24    6 o  187.391   30.491   11.881   3.1930   12.526   4.4870   11.220   4.5447  193.489   41.879  181.293   44.328 12.19591 60.98178 
1 1 1   16   24    8 o  303.413   17.970   26.259   2.8311   24.266   3.3212   31.559   5.4147  286.477   20.329  320.349   29.638 -33.87158 35.94026 
1 1 1   16   24   10 o  222.648   26.387   16.277   3.1815   11.562   4.3654   21.617   4.6462  182.426   42.714  262.871   30.993 -80.44475 52.77351 
1 1 1   16   24   12 o   70.563   24.761  -9.5599   3.7147 -13.1128   6.1961  -7.5664   4.6412   72.354   36.170   68.772   33.825 3.582268 49.52141 
1 1 1   16   24   14 o  104.928   27.825   3.4364   2.3860   5.0820   3.1754   1.3025   3.6160  119.352   39.799   90.504   38.896 28.84846 55.64968 
1 1 1   16   24   16 o   93.577   28.814   1.7786   2.8770  -7.5863   7.5511   3.3689   3.1117   86.831   42.791  100.322   38.599 -13.49091 57.62777 
1 1 1   16   24   18 o   74.474   33.611   0.1431   3.0300   0.0000   0.0000   0.1431   3.0300  ?   ?    74.474   33.611      ?      ? 
1 1 1   16   24   20 o  100.263   34.805   3.2003   6.4995   9.2484   10.618  -0.4242   8.2193  109.213   53.167   91.315   44.932 17.89795 69.61018 
1 1 1   16   24   22 o   99.179   49.882   13.013   12.684   13.013   12.684   0.0000   0.0000   99.179   49.882  ?   ?       ?      ? 
1 1 1   16   25    1 o  172.375   30.617   10.233   3.1271   13.876   4.4403   6.6482   4.4048  205.068   39.400  139.682   46.875 65.38620 61.23441 
1 1 1   16   25    3 o  122.181   32.018   0.6786   3.6139  -6.0795   4.6808   10.652   5.6864   74.380   35.996  169.983   52.961 -95.60336 64.03565 
1 1 1   16   25    5 o  123.232   31.592   4.7254   2.8994   3.3421   3.9856   6.2804   4.2257  110.998   43.410  135.465   45.910 -24.46664 63.18348 
1 1 1   16   25    7 o  105.842   27.925   3.1005   2.4778   5.0304   3.0974  -0.3302   4.1297  122.665   39.202   89.019   39.781 33.64578 55.85026 
1 1 1   16   25    9 o  404.104   18.939   50.333   4.3646   50.002   6.1772   50.663   6.1677  402.646   26.901  405.563   26.667 -2.916626 37.87895 
1 1 1   16   25   11 o  282.466   23.239   25.887   3.7317   28.663   5.3975   23.346   5.1651  298.099   31.750  266.832   33.942 31.26605 46.47742 
1 1 1   16   25   13 f  124.962   31.135   5.9668   2.7647   5.3739   4.3537   6.3674   3.5789  120.089   45.787  129.835   42.203 -9.745483 62.26952 
1 1 1   16   25   15 o  100.929   31.099   2.8599   3.1053   0.0082   7.2057   3.5104   3.4413  100.465   47.524  101.392   40.124 -0.9265976 62.19720 
1 1 1   16   25   17 o   86.602   37.466   1.8896   3.3994   0.0000   0.0000   1.8896   3.3994  ?   ?    86.602   37.466      ?      ? 
1 1 1   16   25   19 o   73.019   25.799  -1.2737   2.4046  -9.0450   10.450  -0.8393   2.4709   84.732   42.929   61.305   28.626 23.42735 51.59845 
1 1 1   16   25   21 o   80.952   27.717   0.9924   3.8696  -0.2909   6.8503   1.5937   4.6894   81.112   40.119   80.791   38.253 0.3206177 55.43366 
1 1 1   16   26    0 o  432.090   19.376   55.869   6.6898   55.869   6.6898   55.869   6.6898  432.090   27.401  432.090   27.401 -0.000000 0.000000 
1 1 1   16   26    2 f  194.715   42.710   15.913   5.3251   17.669   7.1044   13.661   8.0445  211.032   57.477  178.397   63.191 32.63493 85.42038 
1 1 1   16   26    4 o  266.715   24.448   22.983   3.6879   21.868   5.4683   23.914   4.9947  258.453   37.100  274.976   31.851 -16.52292 48.89693 
1 1 1   16   26    6 o  117.324   30.159   4.5867   2.6441   5.3738   3.4062   3.3931   4.1943  124.626   41.204  110.022   44.050 14.60378 60.31718 
1 1 1   16   26    8 o  103.737   27.500   3.3113   2.2117   3.9001   3.1188   2.7157   3.1368  108.992   39.267   98.482   38.512 10.50953 55.00025 
1 1 1   16   26   10 o   82.090   25.557   0.3402   2.3461   1.2445   3.0531  -0.9638   3.6663   85.457   36.200   78.723   36.085 6.734268 51.11328 
1 1 1   16   26   12 o  167.794   30.076   10.549   2.8666   13.156   4.4619   8.7164   3.7408  185.245   43.054  150.343   42.007 34.90105 60.15206 
1 1 1   16   26   14 o  143.517   39.954   11.692   5.1666   7.0259   7.7361   15.449   6.9416  120.877   54.201  166.157   58.716 -45.28014 79.90837 
1 1 1   16   26   16 o   67.717   32.070  -1.6122   3.2999   0.0000   0.0000  -1.6122   3.2999  ?   ?    67.717   32.070      ?      ? 
1 1 1   16   26   18 o   71.556   24.943  -1.3694   2.4334  -2.6840   7.1563  -1.1975   2.5876   82.626   40.893   60.487   28.571 22.13977 49.88535 
1 1 1   16   27    1 o  169.331   39.719   11.861   4.4638   10.066   5.9457   14.179   6.7575  156.689   54.413  181.974   57.876 -25.28490 79.43807 
1 1 1   16   27    3 o   93.028   28.624   0.8543   2.8313  -0.1478   3.7863   2.1252   4.2641   84.918   38.009  101.139   42.809 -16.22065 57.24771 
1 1 1   16   27    5 f  136.363   29.653   6.8531   2.7003   9.2326   3.6881   4.1037   3.9645  160.443   40.348  112.284   43.465 48.15886 59.30561 
1 1 1   16   27    7 o  180.101   30.890   12.201   3.1446   12.912   4.3622   11.432   4.5371  187.818   41.803  172.383   45.490 15.43506 61.78034 
1 1 1   16   27    9 o  379.060   16.396   45.463   2.9878   42.616   5.9958   46.404   3.4462  362.246   29.024  395.874   15.265 -33.62796 32.79293 
1 1 1   16   27   11 o  300.165   23.013   30.785   3.9254   31.799   5.8264   29.941   5.3118  302.801   33.741  297.528   31.305 5.272858 46.02669 
1 1 1   16   27   13 o   99.495   27.153   3.4720   2.0742   4.6057   3.6436   2.9283   2.5230  107.059   41.606   91.930   34.902 15.12910 54.30626 
1 1 1   16   27   15 o   93.040   30.843  -1.2442   4.6657 -13.0131   7.0361   7.9924   6.2333   70.145   35.504  115.936   50.445 -45.79071 61.68640 
1 1 1   16   27   17 o   63.147   29.992  -1.2309   2.9267   0.0000   0.0000  -1.2309   2.9267  ?   ?    63.147   29.992      ?      ? 
1 1 1   16   28    2 o  167.216   33.975   11.331   3.4102   11.680   4.4745   10.846   5.2672  174.356   44.769  160.076   51.117 14.28023 67.95027 
1 1 1   16   28    4 o   97.477   28.617   2.1641   2.7134   0.1264   3.8274   4.2230   3.8472   84.571   38.008  110.383   42.793 -25.81181 57.23495 
1 1 1   16   28    6 o  182.309   30.229   12.729   3.0878   12.663   4.4075   12.792   4.3273  181.225   43.248  183.394   42.246 -2.169083 60.45751 
1 1 1   16   28    8 o   85.908   26.316   0.0743   2.6269   3.9638   3.7126  -3.8253   3.7174  105.375   41.684   66.442   32.136 38.93376 52.63294 
1 1 1   16   28   10 o   90.197   26.549   1.3125   2.4505  -1.7737   3.3023   5.0946   3.6557   68.480   32.326  111.913   42.123 -43.43339 53.09715 
1 1 1   16   28   12 o  124.120   30.870   6.9038   2.8101   9.4067   4.1034   4.6933   3.8563  142.962   45.061  105.277   42.207 37.68494 61.74073 
1 1 1   16   28   14 o  102.308   26.611   4.9859   2.4285  -6.3118   7.8173   6.1927   2.5549   80.562   40.325  124.055   34.736 -43.49339 53.22275 
1 1 1   16   29    1 o  121.607   36.159   6.3069   4.2368   6.5689   6.4249   6.1053   5.6357  122.699   52.265  120.516   49.983 2.182358 72.31829 
1 1 1   16   29    3 o  186.695   28.580   13.204   3.0792   8.5521   4.1852   18.692   4.5463  142.272   45.579  231.117   34.493 -88.84581 57.16016 
1 1 1   16   29    5 o   75.540   24.432  -0.6170   2.3309  -1.7616   3.0531   0.9822   3.6088   66.368   31.253   84.713   37.562 -18.34562 48.86359 
1 1 1   16   29    7 o  161.080   31.084   11.466   3.1098   14.126   4.1695   8.1302   4.6683  190.905   39.596  131.255   47.926 59.64963 62.16707 
1 1 1   16   29    9 o  180.478   25.114   11.161   2.3272   15.846   4.3315   9.2598   2.7593  200.152   39.350  160.804   31.215 39.34789 50.22735 
1 1 1   16   29   11 o   82.656   26.028   1.5618   2.4810   1.9948   3.2853   0.9871   3.7849   84.151   36.619   81.161   36.997 2.990387 52.05520 
1 1 1   16   29   13 o  118.377   28.438   5.9988   2.7708   12.224   4.1267   0.8881   3.7390  158.774   44.036   77.981   35.997 80.79263 56.87659 
1 1 1   16   29   15 o   88.565   40.257   3.7749   4.4406   0.0000   0.0000   3.7749   4.4406  ?   ?    88.565   40.257      ?      ? 
1 1 1   16   30    0 o   56.506   26.909  -0.3393   3.5217  -0.3393   3.5217  -0.3393   3.5217   56.506   38.054   56.506   38.054 0.000000 0.000000 
1 1 1   16   30    2 o  119.938   36.043   7.0838   4.3572   10.565   6.4746   4.2023   5.8907  134.419   54.407  105.456   47.291 28.96317 72.08695 
1 1 1   16   30    4 o  125.234   30.338   6.5552   2.8163   3.2887   3.7792   10.635   4.2235   96.422   40.529  154.047   45.155 -57.62505 60.67596 
1 1 1   16   30    6 o  131.797   31.409   8.0619   3.0390   11.782   4.3728   4.5868   4.2265  160.065   45.663  103.529   43.140 56.53674 62.81882 
1 1 1   16   30    8 o   88.512   27.804   1.9041   2.9189  -0.7143   4.1219   4.5380   4.1341   76.047   35.964  100.977   42.413 -24.93041 55.60834 
1 1 1   16   30   10 o  119.023   30.406   7.3412   2.9337   10.215   3.9949   3.9774   4.3222  143.246   44.351   94.801   41.607 48.44449 60.81291 
1 1 1   16   30   12 o  140.171   31.849   10.731   2.9406   8.9628   4.0885   12.626   4.2325  125.055   44.969  155.288   45.113 -30.23342 63.69748 
1 1 1   16   31    1 o  170.658   31.882   13.601   3.2121   16.205   4.5943   11.111   4.4926  192.825   42.888  148.490   47.187 44.33453 63.76495 
1 1 1   16   31    3 o  133.747   38.982   13.114   4.8447   12.264   7.1052   13.852   6.6230  127.797   54.712  139.698   55.543 -11.90131 77.96449 
1 1 1   16   31    5 o  101.751   29.207   3.8526   2.7520   0.7492   3.5304   8.6589   4.3935   77.393   35.451  126.109   46.425 -48.71631 58.41327 
1 1 1   16   31    7 o  134.990   31.281   9.3061   3.1365   4.6224   4.2400   14.967   4.6613   97.416   41.994  172.564   46.373 -75.14806 62.56138 
1 1 1   16   31    9 o  103.979   30.128   6.1139   2.9671   7.5441   3.9660   4.2957   4.4716  115.191   43.753   92.768   41.430 22.42290 60.25539 
1 1 1   16   32    0 o   58.635   27.760   0.5956   3.6489   0.5956   3.6489   0.5956   3.6489   58.635   39.259   58.635   39.259 0.000000 0.000000 
1 1 1   16   32    2 o  148.645   32.605   11.949   3.1312   9.5703   4.3217   14.577   4.5430  128.710   46.238  168.579   45.982 -39.86888 65.21005 
1 1 1   16   32    4 o   84.658   29.078   0.9366   4.3588   4.1729   6.5371  -1.6539   5.8487   92.050   44.026   77.266   37.996 14.78424 58.15530 
1 1 1   16   32    6 o  107.332   30.477   6.3982   3.0408   10.647   4.5147   2.8703   4.1139  129.977   47.181   84.687   38.592 45.29059 60.95365 
1 1 1   17    0    1 o   60.205   28.749  -1.8910   4.0728  -1.8910   4.0728  -1.8910   4.0728   60.205   40.658   60.205   40.658 0.000000 0.000000 
1 1 1   17    0    3 o   76.077   33.695   0.9438   4.2726   0.9438   4.2726   0.9438   4.2726   76.077   47.652   76.077   47.652 0.000000 0.000000 
1 1 1   17    0    5 f  1213.82   16.621  421.796   16.257  421.796   16.257  421.796   16.257  1213.82   23.505  1213.82   23.505 -0.000000 0.000000 
1 1 1   17    0    9 o  240.095   18.500   17.085   3.4744   17.085   3.4744   17.085   3.4744  240.095   26.163  240.095   26.163 0.000000 0.000000 
1 1 1   17    0   11 o  869.668   15.428  216.825   10.806  216.825   10.806  216.825   10.806  869.668   21.818  869.668   21.818 -0.000000 0.000000 
1 1 1   17    0   13 o  1169.32   17.565  392.632   16.548  392.632   16.548  392.632   16.548  1169.32   24.840  1169.32   24.840 -0.000000 0.000000 
1 1 1   17    0   15 o  735.592   19.537  156.229   11.553  156.229   11.553  156.229   11.553  735.592   27.629  735.592   27.629 -0.000000 0.000000 
1 1 1   17    0   17 o   80.252   35.645   1.1820   4.8194   1.1820   4.8194   1.1820   4.8194   80.252   50.410   80.252   50.410 0.000000 0.000000 
1 1 1   17    0   19 o  472.087   25.288   66.295   9.5013   66.295   9.5013   66.295   9.5013  472.087   35.763  472.087   35.763 -0.000000 0.000000 
1 1 1   17    0   21 o  233.469   19.928   16.541   3.6073   16.541   3.6073   16.541   3.6073  233.469   28.183  233.469   28.183 0.000000 0.000000 
1 1 1   17    0   23 o  158.805   40.245   10.278   4.7115   10.278   4.7115   10.278   4.7115  158.805   56.916  158.805   56.916 -0.000000 0.000000 
1 1 1   17    0   25 o   60.663   28.288  -0.1698   3.5556  -0.1698   3.5556  -0.1698   3.5556   60.663   40.005   60.663   40.005 -0.000000 0.000000 
1 1 1   17    0   27 o   95.613   33.115   4.4772   3.0279   4.4772   3.0279   4.4772   3.0279   95.613   46.832   95.613   46.832 -0.000000 0.000000 
1 1 1   17    0   29 f   62.712   28.487   1.1681   3.2872   1.1681   3.2872   1.1681   3.2872   62.712   40.287   62.712   40.287 -0.000000 0.000000 
1 1 1   17    0   31 o   59.041   28.550   0.0006   4.2859   0.0006   4.2859   0.0006   4.2859   59.041   40.376   59.041   40.376 0.000000 0.000000 
1 1 1   17    1    0 o  447.462   19.215   57.917   6.8757   57.917   6.8757   57.917   6.8757  447.462   27.174  447.462   27.174 0.000000 0.000000 
1 1 1   17    1    2 o  1300.36   17.284  486.407   12.766  464.827   18.654  505.418   17.508  1272.75   25.700  1327.96   23.119 -55.20544 34.56814 
1 1 1   17    1    4 o  1117.38   15.125  356.993   9.4625  354.223   12.247  361.096   14.906  1112.48   19.304  1122.27   23.289 -9.786133 30.24929 
1 1 1   17    1    6 o  742.798   33.719  159.300   14.284  159.300   14.284   0.0000   0.0000  742.798   33.719  ?   ?       ?      ? 
1 1 1   17    1   10 o  458.627   13.620   61.930   3.3582   65.714   4.1851   55.087   5.6275  479.276   15.312  437.979   22.530 41.29697 27.24092 
1 1 1   17    1   12 o  1100.81   17.371  348.965   10.900  335.920   15.361  362.197   15.470  1079.92   24.941  1121.70   24.184 -41.77991 34.74104 
1 1 1   17    1   14 o  489.500   22.829   69.760   6.3713   67.706   8.9530   71.867   9.0689  482.114   32.563  496.885   32.004 -14.77151 45.65767 
1 1 1   17    1   16 o  147.706   35.678   3.1970   4.1393   12.523   6.6558  -2.6855   5.2859  198.692   56.215   96.719   43.948 101.9726 71.35519 
1 1 1   17    1   18 o  178.072   37.994   10.542   4.2260   12.240   5.1599   7.0832   7.3654  196.132   46.786  160.013   59.876 36.11890 75.98771 
1 1 1   17    1   20 o  171.706   30.519   9.5005   2.9907   10.415   4.2779   8.6261   4.1827  180.063   42.366  163.349   43.940 16.71407 61.03822 
1 1 1   17    1   22 o  126.791   30.078   4.8767   2.7071   7.1362   3.7794   2.4962   3.8793  147.014   42.608  106.568   42.466 40.44581 60.15614 
1 1 1   17    1   24 o  128.739   32.930   5.2560   3.3157   7.7947   4.4561   2.1070   4.9630  148.482   46.975  108.996   46.162 39.48608 65.86007 
1 1 1   17    1   26 o  112.499   26.767   4.1623   2.1084   2.5624   2.9185   5.9084   3.0491   95.609   37.214  129.390   38.484 -33.78147 53.53410 
1 1 1   17    1   28 o   87.353   25.477   0.9931   2.4042   4.3797   3.1737  -3.5675   3.6830  108.039   39.506   66.666   32.182 41.37313 50.95452 
1 1 1   17    1   30 o   91.474   27.707   3.1108   2.5755   3.1347   3.4941   3.0823   3.8112   91.373   38.718   91.575   39.644 -0.2018890 55.41425 
1 1 1   17    2    1 o  546.168   12.329   85.538   3.8294   80.911   5.5247   89.816   5.3126  531.841   18.215  560.495   16.620 -28.65381 24.65834 
1 1 1   17    2    3 o  431.910   17.681   53.450   4.2620   53.176   5.4840   53.868   6.7727  430.783   22.323  433.036   27.425 -2.252991 35.36130 
1 1 1   17    2    5 o  363.169   27.042   38.765   5.1464   39.707   6.2090   36.697   9.1986  371.473   29.309  354.864   45.453 16.60910 54.08363 
1 1 1   17    2    7 o  974.859   32.712  274.431   18.186  274.431   18.186   0.0000   0.0000  974.859   32.712  ?   ?       ?      ? 
1 1 1   17    2    9 o  861.692   21.140  213.947   9.5064  213.487   11.351  215.029   17.396  862.201   23.086  861.183   35.421 1.017761 42.27993 
1 1 1   17    2   11 o  869.295   17.037  218.471   8.3617  226.279   11.187  208.588   12.586  887.579   22.101  851.012   25.934 36.56720 34.07433 
1 1 1   17    2   13 o  597.448   17.610  100.423   5.7459   94.583   7.0739  111.747   9.8506  573.405   21.632  621.490   27.793 -48.08527 35.21963 
1 1 1   17    2   15 f  124.563   32.911   3.4714   3.1614   5.0282   4.7305   2.2149   4.2498  136.789   48.457  112.337   44.547 24.45263 65.82154 
1 1 1   17    2   17 o  204.257   39.202   13.308   5.1520   20.636   7.2139   5.6790   7.3603  255.222   51.342  153.292   59.256 101.9293 78.40406 
1 1 1   17    2   19 o  205.630   40.488   14.410   4.9437   15.844   6.4593   12.382   7.6815  219.430   52.349  191.830   61.780 27.59967 80.97655 
1 1 1   17    2   21 o  154.613   36.752   5.1450   3.1935   14.266   7.5290   3.1442   3.5265  199.218   60.751  110.007   41.379 89.21091 73.50426 
1 1 1   17    2   23 o  146.350   38.864   6.7154   4.0960   8.9015   7.5639   5.8083   4.8722  158.368   60.358  134.332   48.974 24.03548 77.72768 
1 1 1   17    2   25 o  161.997   30.255   8.2626   3.1617   3.0451   4.0552   16.351   5.0490  107.319   43.191  216.676   42.378 -109.3574 60.50926 
1 1 1   17    2   27 o  110.482   29.573   2.6309   2.5453   0.0771   3.0400   8.6199   4.6553   77.011   34.293  143.953   48.190 -66.94210 59.14663 
1 1 1   17    2   29 o   95.655   28.528   3.1499   2.5696   3.2977   3.0707   2.8048   4.6932   95.225   37.833   96.085   42.708 -0.8597031 57.05576 
1 1 1   17    2   31 o   69.986   23.178  -0.7967   2.5076   1.9189   3.1852  -5.2236   4.0668   79.470   35.260   60.502   30.093 18.96874 46.35629 
1 1 1   17    3    0 o  899.403   13.470  231.376   9.7608  231.376   9.7608  231.376   9.7608  899.403   19.049  899.403   19.049 -0.000000 0.000000 
1 1 1   17    3    2 o  1068.75   15.024  326.353   8.9854  323.059   11.608  331.278   14.192  1062.48   19.158  1075.02   23.150 -12.53601 30.04883 
1 1 1   17    3    4 o  1127.12   20.461  367.267   12.341  370.891   15.091  359.948   21.443  1137.28   23.268  1116.96   33.663 20.32617 40.92202 
1 1 1   17    3    6 o  134.755   35.292   4.2388   3.6939   6.2668   4.3927  -0.6585   6.8260  147.316   46.643  122.193   52.977 25.12392 70.58421 
1 1 1   17    3    8 o  994.918   23.321  284.243   13.232  284.243   13.232   0.0000   0.0000  994.918   23.321  ?   ?       ?      ? 
1 1 1   17    3   10 o  434.964   14.860   54.998   3.6225   59.015   4.8138   49.753   5.5005  453.812   18.600  416.115   23.179 37.69745 29.71925 
1 1 1   17    3   12 o  636.212   19.622  116.935   7.1183  117.540   10.003  116.315   10.131  637.953   27.496  634.471   28.001 3.482178 39.24354 
1 1 1   17    3   14 o  639.610   17.737  117.354   6.2129  121.138   10.417  115.265   7.7404  646.446   28.255  632.774   21.450 13.67218 35.47448 
1 1 1   17    3   16 o  202.517   28.219   12.896   3.0688   14.347   3.8993   10.534   4.9743  221.554   30.862  183.479   47.253 38.07553 56.43817 
1 1 1   17    3   18 o  311.641   25.855   28.688   3.9863   28.309   4.6054   29.822   7.9597  311.233   25.947  312.049   44.728 -0.8161926 51.70951 
1 1 1   17    3   20 o  268.061   26.362   17.578   3.4509   31.784   7.7433   14.058   3.8548  319.416   42.509  216.706   31.192 102.7098 52.72497 
1 1 1   17    3   22 o  175.652   34.256   10.435   3.5259   12.211   5.3808   9.0986   4.6677  187.917   49.516  163.387   47.350 24.52956 68.51149 
1 1 1   17    3   24 o  204.152   57.927   16.354   7.0567   0.0000   0.0000   16.354   7.0567  ?   ?   204.152   57.927      ?      ? 
1 1 1   17    3   26 o  162.546   33.086   9.3931   3.2944   15.079   5.3766   5.9750   4.1686  197.936   48.102  127.156   45.440 70.77964 66.17120 
1 1 1   17    3   28 o   91.007   28.794   1.3315   2.8351   2.2108   5.2354   0.9667   3.3723   98.982   44.472   83.033   36.588 15.94876 57.58823 
1 1 1   17    3   30 o   82.901   26.602   1.5485   2.5869   1.6700   3.0674   1.2491   4.8140   80.271   35.145   85.530   39.945 -5.258919 53.20490 
1 1 1   17    4    1 o  1119.08   15.011  359.928   9.3916  365.035   12.185  352.454   14.740  1129.42   18.918  1108.75   23.312 20.66467 30.02239 
1 1 1   17    4    3 o  163.207   35.968   6.6382   3.5537   4.5022   4.2665   11.478   6.4221  131.521   46.069  194.892   55.248 -63.37108 71.93510 
1 1 1   17    4    5 o  560.116   15.840   88.927   4.9277   94.433   8.0326   85.605   6.2398  573.540   24.558  546.693   20.014 26.84662 31.68075 
1 1 1   17    4    7 o  404.279   24.188   48.384   3.7620   48.793   4.0472   45.788   10.203  412.895   17.188  395.663   45.219 17.23203 48.37521 
1 1 1   17    4    9 o  1393.64   26.906  559.370   21.384  559.370   21.384   0.0000   0.0000  1393.64   26.906  ?   ?       ?      ? 
1 1 1   17    4   11 o  226.064   30.704   15.637   3.4695   14.443   6.5355   16.105   4.0941  216.177   53.340  235.951   30.426 -19.77454 61.40733 
1 1 1   17    4   13 o  179.279   41.693   9.5351   5.5411  -0.3141   9.6012   14.454   6.7851  143.744   62.576  214.814   55.115 -71.06996 83.38673 
1 1 1   17    4   15 o  450.550   20.583   58.168   4.9817   56.535   6.0612   61.569   8.7454  442.325   24.028  458.774   33.426 -16.44937 41.16630 
1 1 1   17    4   17 o  253.297   23.020   18.875   3.2669   19.172   5.1337   18.672   4.2350  254.203   35.412  252.392   29.423 1.811508 46.04075 
1 1 1   17    4   19 o  538.633   15.433   83.067   4.6861   75.582   6.0914   93.919   7.3347  509.854   20.950  567.411   22.667 -57.55685 30.86545 
1 1 1   17    4   21 o  319.988   20.944   30.336   3.7856   27.691   4.9550   34.046   5.8671  304.041   28.577  335.935   30.625 -31.89374 41.88720 
1 1 1   17    4   23 o  306.888   23.649   28.828   4.0964   24.114   5.4201   35.107   6.2557  277.525   34.246  336.251   32.623 -58.72662 47.29743 
1 1 1   17    4   25 o   66.761   24.090  -5.3328   1.8437  -5.7371   1.9470  -1.8243   5.7360   38.578   19.421   94.945   44.093 -56.36761 48.18046 
1 1 1   17    4   27 o  132.003   36.661   4.7400   3.9275   15.553   7.3695   0.4508   4.6415  172.745   60.545   91.260   41.355 81.48583 73.32107 
1 1 1   17    4   29 o   91.498   28.547   2.3483   2.9800  -1.0721   5.7181   3.6237   3.4917   85.473   40.958   97.524   39.775 -12.05070 57.09349 
1 1 1   17    4   31 o   73.213   24.804  -0.6743   2.6103  -2.0760   3.1113   2.6578   4.7969   60.698   29.368   85.727   39.982 -25.02926 49.60841 
1 1 1   17    5    0 o  752.301   16.617  162.314   10.060  162.314   10.060  162.314   10.060  752.301   23.499  752.301   23.499 0.000000 0.000000 
1 1 1   17    5    2 o  850.315   16.273  207.272   7.8902  211.286   11.273  203.416   11.047  858.381   23.028  842.249   23.000 16.13184 32.54674 
1 1 1   17    5    4 o  186.900   32.171   12.285   3.7863   16.813   4.4937   1.1998   7.0301  241.385   32.644  132.414   55.446 108.9711 64.34224 
1 1 1   17    5    6 o  689.263   20.105  133.581   6.6331  130.943   7.5187  142.839   14.087  676.078   19.501  702.447   35.166 -26.36938 40.21096 
1 1 1   17    5    8 o  501.681   19.862   72.150   5.6825   72.150   5.6825   0.0000   0.0000  501.681   19.862  ?   ?       ?      ? 
1 1 1   17    5   10 o  573.256   40.912   96.056   13.375   96.056   13.375   0.0000   0.0000  573.256   40.912  ?   ?       ?      ? 
1 1 1   17    5   12 o  264.537   21.659   20.357   3.2444   20.815   4.3673   19.793   4.8466  268.164   28.557  260.910   32.573 7.254303 43.31882 
1 1 1   17    5   14 o  460.480   15.141   61.287   3.8723   60.064   6.1911   62.073   4.9630  456.157   23.799  464.802   18.723 -8.645081 30.28121 
1 1 1   17    5   16 o  455.444   20.781   62.998   4.8694   54.727   8.7454   66.714   5.8622  430.330   35.636  480.558   21.391 -50.22794 41.56290 
1 1 1   17    5   18 o  109.979   33.179   0.3035   3.7481  -1.9129   5.2143   2.6729   5.3914   97.700   44.093  122.259   49.591 -24.55945 66.35812 
1 1 1   17    5   20 o  170.955   28.546   10.146   2.7902   12.330   3.4331   5.8971   4.7888  203.126   29.637  138.785   48.797 64.34114 57.09167 
1 1 1   17    5   22 o  165.511   30.717   9.5242   3.1042   12.642   4.1691   5.6460   4.6501  197.552   38.389  133.471   47.961 64.08182 61.43306 
1 1 1   17    5   24 o  101.811   28.775   2.2697   2.7653   4.3822   3.2122  -3.7780   5.4349  116.096   40.013   87.526   41.363 28.56966 57.54972 
1 1 1   17    5   26 o  100.630   27.191   0.9605   2.3872  -2.3092   2.9509   7.1530   4.0609   64.738   30.559  136.523   44.984 -71.78521 54.38149 
1 1 1   17    5   28 o  102.233   28.810   3.7272   2.4401   3.3175   3.0271   4.4874   4.1232   97.194   37.881  107.272   43.418 -10.07767 57.61994 
1 1 1   17    5   30 o  103.075   30.411   5.4192   3.1784   2.6792   5.3421   6.9207   3.9545   90.745   42.279  115.404   43.724 -24.65890 60.82158 
1 1 1   17    6    1 o  874.064   16.338  219.138   8.1438  221.661   11.518  216.616   11.516  879.124   22.974  869.005   23.237 10.11908 32.67685 
1 1 1   17    6    3 o  1133.91   16.378  368.852   10.589  360.492   14.911  377.357   15.041  1120.90   23.327  1146.92   22.996 -26.02063 32.75619 
1 1 1   17    6    5 o  1567.32   20.850  708.376   17.521  709.222   21.419  706.663   30.462  1571.59   23.898  1563.06   34.173 8.528076 41.70090 
1 1 1   17    6    7 o  956.546   19.256  258.604   9.1819  253.557   10.609  273.668   18.328  940.521   19.780  972.571   33.044 -32.04950 38.51190 
1 1 1   17    6    9 o  1448.70   35.460  609.477   29.296  609.477   29.296   0.0000   0.0000  1448.70   35.460  ?   ?       ?      ? 
1 1 1   17    6   11 o  217.423   41.445   14.306   4.9513   14.306   4.9513   0.0000   0.0000  217.423   41.445  ?   ?       ?      ? 
1 1 1   17    6   13 o  730.029   22.177  161.393   6.9776  165.044   7.7265  145.251   16.247  758.279   17.867  701.779   40.596 56.50061 44.35410 
1 1 1   17    6   15 o  447.999   17.726   58.233   4.5174   59.342   6.2090   56.985   6.5847  452.826   24.044  443.171   26.054 9.654572 35.45278 
1 1 1   17    6   17 o  143.515   36.199   5.3550   4.2152  -1.5051   6.9496   9.3475   5.3018  115.772   51.680  171.258   50.703 -55.48547 72.39885 
1 1 1   17    6   19 o  183.162   35.396   7.4501   3.5655   3.7155   4.0400   20.606   7.5827  118.949   44.378  247.374   55.156 -128.4250 70.79215 
1 1 1   17    6   21 o   92.076   28.249   0.4673   2.5566   0.9000   3.0100  -0.6531   4.8439   87.142   36.367   97.010   43.237 -9.867233 56.49765 
1 1 1   17    6   23 o  202.111   31.757   14.920   3.3231   16.160   3.9047   11.663   6.3288  229.085   29.888  175.136   56.043 53.94946 63.51446 
1 1 1   17    6   25 o   96.193   28.658   1.9141   2.4930   2.2999   2.8830   0.7705   4.9643   93.573   36.822   98.812   43.922 -5.239578 57.31516 
1 1 1   17    6   27 o  139.351   27.848   7.8169   2.3188   8.5498   2.7350   5.9432   4.3729  157.803   31.494  120.899   45.937 36.90453 55.69672 
1 1 1   17    6   29 o   71.701   22.819  -0.2282   2.1338   1.9670   2.7245  -3.7106   3.4315   82.085   34.452   61.316   29.932 20.76831 45.63873 
1 1 1   17    7    0 o  1385.03   16.558  549.216   18.485  549.216   18.485  549.216   18.485  1385.03   23.417  1385.03   23.417 0.000000 0.000000 
1 1 1   17    7    2 o  1485.79   17.732  632.435   14.944  650.580   22.463  618.029   20.015  1504.36   26.183  1467.22   23.921 37.13464 35.46474 
1 1 1   17    7    4 f  610.133   15.306  110.634   4.9812   95.097   8.3871  119.101   6.1915  575.130   25.571  645.136   16.829 -70.00641 30.61198 
1 1 1   17    7    6 o  1440.94   19.730  596.056   14.495  593.372   17.027  603.123   27.626  1438.40   20.758  1443.48   33.560 -5.087158 39.46042 
1 1 1   17    7    8 o  1083.00   35.649  340.610   22.017  340.610   22.017   0.0000   0.0000  1083.00   35.649  ?   ?       ?      ? 
1 1 1   17    7   10 f  639.902   24.034  127.382   7.6454  138.383   9.0962  100.907   14.111  693.585   22.997  586.219   42.210 107.3657 48.06757 
1 1 1   17    7   12 o  630.436   21.456  114.381   7.7139  114.381   7.7139   0.0000   0.0000  630.436   21.456  ?   ?       ?      ? 
1 1 1   17    7   14 o  849.178   21.232  209.190   8.6477  208.494   9.8566  211.514   18.021  850.945   20.311  847.410   37.290 3.534485 42.46312 
1 1 1   17    7   16 o  523.750   19.690   78.551   5.5960   75.055   6.8588   85.511   9.6782  508.463   23.654  539.037   31.484 -30.57443 39.37909 
1 1 1   17    7   18 o  171.365   32.419   8.8602   3.1348   7.1312   3.8794   12.113   5.3213  149.922   43.086  192.809   48.453 -42.88667 64.83859 
1 1 1   17    7   20 o  259.244   21.425   18.486   3.0126   14.817   3.6372   26.501   5.3764  222.525   28.662  295.963   31.854 -73.43730 42.85011 
1 1 1   17    7   22 o  157.340   31.295   8.4249   2.7620   8.5331   3.2492   8.1429   5.2441  162.096   36.078  152.583   51.147 9.513702 62.59088 
1 1 1   17    7   24 o  117.689   33.976   3.5996   2.9251   3.3688   3.1999   4.7732   7.2145  105.763   39.488  129.615   55.301 -23.85259 67.95219 
1 1 1   17    7   26 o   89.733   25.896  -0.1448   1.9423  -1.9749   2.2182   5.8694   4.0212   55.691   26.351  123.775   44.587 -68.08474 51.79212 
1 1 1   17    7   28 o   81.182   25.509   1.0040   2.3334   1.3353   2.9426   0.4427   3.8301   80.665   34.878   81.698   37.233 -1.032074 51.01722 
1 1 1   17    7   30 o  118.119   32.412   7.8817   2.9401   7.4549   3.1421   10.884   8.3348  126.937   39.339  109.302   51.522 17.63478 64.82319 
1 1 1   17    8    1 o  214.883   26.655   13.817   3.1385   10.592   4.4453   17.022   4.4317  187.005   42.630  242.761   32.011 -55.75594 53.31086 
1 1 1   17    8    3 o  426.603   15.587   51.269   3.2638   54.105   6.6677   50.375   3.7429  433.556   26.967  419.649   15.640 13.90756 31.17438 
1 1 1   17    8    5 o  567.567   15.042   93.057   4.4921   94.105   5.4144   90.742   8.0462  573.413   16.557  561.721   25.118 11.69244 30.08377 
1 1 1   17    8    7 o  1020.77   19.538  305.224   9.8305  310.230   11.397  290.675   19.430  1040.28   19.211  1001.27   34.027 39.00916 39.07548 
1 1 1   17    8    9 o  774.706   38.251  175.243   16.900  175.243   16.900   0.0000   0.0000  774.706   38.251  ?   ?       ?      ? 
1 1 1   17    8   11 o  229.986   38.589   18.122   4.5737   20.133   5.2126   11.394   9.5345  262.602   34.807  197.369   68.884 65.23386 77.17869 
1 1 1   17    8   13 o  435.549   25.013   54.284   3.7888   53.935   4.0003   57.325   11.810  433.637   16.176  437.461   47.339 -3.823578 50.02641 
1 1 1   17    8   15 o  344.971   18.263   35.455   3.4536   38.250   4.4318   31.134   5.5110  363.775   21.362  326.167   29.628 37.60825 36.52595 
1 1 1   17    8   17 o  552.941   16.002   88.974   5.0438   88.318   7.0202   89.673   7.2515  550.977   22.342  554.904   22.915 -3.927002 32.00410 
1 1 1   17    8   19 o  282.404   22.134   25.194   3.2391   27.537   3.9717   20.539   5.5973  306.453   22.726  258.355   37.990 48.09814 44.26867 
1 1 1   17    8   21 o  228.705   23.125   15.587   2.8134   14.734   3.3806   17.510   5.0740  221.583   26.752  235.827   37.728 -14.24379 46.25030 
1 1 1   17    8   23 o  190.848   35.162   12.932   3.5402   12.466   4.1031   14.291   7.0031  193.072   38.614  188.623   58.774 4.449249 70.32392 
1 1 1   17    8   25 o  176.041   40.557   13.153   4.3917   15.986   8.3002   12.051   5.1755  178.466   64.083  173.617   49.728 4.849640 81.11404 
1 1 1   17    8   27 o   67.322   22.971  -1.6180   1.9639  -1.2265   2.1341  -3.7832   5.0185   57.362   26.724   77.281   37.369 -19.91872 45.94137 
1 1 1   17    8   29 o  100.082   30.877   3.8603   2.6869   3.1804   2.9278   7.4892   6.7638   90.772   36.640  109.392   49.709 -18.62036 61.75309 
1 1 1   17    9    0 o  189.656   32.122   11.965   4.2621   11.965   4.2621   11.965   4.2621  189.656   45.428  189.656   45.428 0.000000 0.000000 
1 1 1   17    9    2 o  608.865   16.874  106.531   5.8566  110.522   8.3060  102.584   8.2592  620.282   23.481  597.448   24.241 22.83362 33.74828 
1 1 1   17    9    4 o  669.825   15.127  130.136   5.5767  134.383   7.0854  123.223   9.0402  684.936   18.139  654.714   24.212 30.22186 30.25335 
1 1 1   17    9    6 o  897.812   19.108  230.788   8.5642  229.166   9.9331  235.485   16.905  893.995   19.483  901.629   32.877 -7.633606 38.21665 
1 1 1   17    9    8 o  1091.77   36.106  347.158   22.480  347.158   22.480   0.0000   0.0000  1091.77   36.106  ?   ?       ?      ? 
1 1 1   17    9   10 o  793.105   19.458  174.449   7.1699  169.218   8.0169  195.359   16.027  767.849   18.308  818.361   34.342 -50.51184 38.91682 
1 1 1   17    9   12 o  775.665   24.541  173.837   10.856  173.837   10.856   0.0000   0.0000  775.665   24.541  ?   ?       ?      ? 
1 1 1   17    9   14 o  320.651   27.894   25.942   3.5232   24.344   3.7539   37.754   10.208  290.088   22.691  351.214   50.965 -61.12576 55.78781 
1 1 1   17    9   16 o  283.807   37.981   28.737   4.4444   30.363   4.9021   21.227   10.534  322.000   26.695  245.614   71.117 76.38591 75.96226 
1 1 1   17    9   18 o  100.518   26.030   0.2138   2.8008   5.7418   3.3314 -13.1121   5.1724  134.981   40.244   66.056   33.025 68.92499 52.05981 
1 1 1   17    9   20 o  202.751   29.996   13.464   3.2774   13.384   4.1643   13.592   5.3124  205.043   36.973  200.460   47.243 4.583328 59.99115 
1 1 1   17    9   22 o  139.005   37.654   6.4003   4.2916   3.6137   6.9560   8.1129   5.4531  127.566   54.361  150.443   52.118 -22.87708 75.30868 
1 1 1   17    9   24 o  167.155   47.013   13.828   6.7202   12.990   11.203   14.298   8.3990  160.739   68.755  173.570   64.138 -12.83083 94.02651 
1 1 1   17    9   26 o  130.296   37.270   6.8740   3.7985   10.488   7.9947   5.8204   4.3168  139.971   58.896  120.620   45.687 19.35102 74.53922 
1 1 1   17    9   28 o   99.210   31.792   3.4731   3.8275   2.8979   4.9856   4.2988   5.9730   95.655   43.147  102.766   46.703 -7.110794 63.58371 
1 1 1   17    9   30 o   77.545   25.134   1.0636   2.3411  -0.2295   2.8541   3.7228   4.0928   65.705   30.709   89.385   39.798 -23.68033 50.26874 
1 1 1   17   10    1 o  366.294   19.187   38.717   3.9988   35.782   5.6635   41.636   5.6468  352.277   28.191  380.312   26.036 -28.03485 38.37397 
1 1 1   17   10    3 o  372.445   19.494   39.988   4.1395   39.908   5.9184   40.064   5.7919  372.035   27.895  372.855   27.239 -0.8200073 38.98828 
1 1 1   17   10    5 o  352.458   16.762   36.300   3.0753   37.189   3.6904   34.278   5.5636  360.266   17.962  344.650   28.307 15.61609 33.52451 
1 1 1   17   10    7 o  1215.52   21.921  429.783   14.064  432.682   16.984  423.460   25.084  1225.79   24.296  1205.26   36.495 20.52869 43.84258 
1 1 1   17   10    9 o  796.434   21.375  182.482   9.7086  182.482   9.7086   0.0000   0.0000  796.434   21.375  ?   ?       ?      ? 
1 1 1   17   10   11 o  154.816   38.031   3.8023   3.2982   2.0465   3.5956   13.119   8.2826  105.029   41.188  204.602   63.945 -99.57338 76.06214 
1 1 1   17   10   13 o  346.033   23.777   34.667   4.6921   34.667   4.6921   0.0000   0.0000  346.033   23.777  ?   ?       ?      ? 
1 1 1   17   10   15 o  146.729   39.028   1.2923   2.9452  -0.1087   3.0926   14.947   9.6551   82.906   35.802  210.551   69.361 -127.6452 78.05558 
1 1 1   17   10   17 o  180.361   41.459   9.7096   3.6189   9.5257   3.8246   11.283   11.186  173.374   39.556  187.348   72.875 -13.97464 82.91807 
1 1 1   17   10   19 o   99.414   32.983  -4.5936   4.3705  -6.1357   5.3414  -1.4699   7.6021   82.543   39.563  116.285   52.786 -33.74142 65.96649 
1 1 1   17   10   21 o  141.329   45.182   1.8756   7.8761   6.6313   11.328  -2.5749   10.958  154.732   67.648  127.927   59.913 26.80489 90.36501 
1 1 1   17   10   25 o   84.641   28.266  -2.1524   3.4763  -2.4349   5.6805  -1.9832   4.3955   88.776   42.053   80.507   37.781 8.268799 56.53228 
1 1 1   17   10   27 o  130.637   33.942   8.1869   3.3414   9.6190   4.8412   6.8840   4.6176  140.139   49.075  121.134   46.904 19.00445 67.88436 
1 1 1   17   10   29 o   77.572   26.696  -1.7047   3.3951   2.6941   5.9117  -3.8694   4.1472   90.232   42.789   64.913   31.936 25.31863 53.39264 
1 1 1   17   11    0 o  437.842   17.977   55.473   6.2991   55.473   6.2991   55.473   6.2991  437.842   25.423  437.842   25.423 0.000000 0.000000 
1 1 1   17   11    2 o  1041.71   16.183  311.793   9.6118  302.219   13.490  321.666   13.699  1025.41   23.069  1058.02   22.703 -32.60901 32.36696 
1 1 1   17   11    4 o  456.597   17.716   60.029   4.6127   59.477   6.4727   60.598   6.5751  454.479   24.973  458.715   25.134 -4.236237 35.43170 
1 1 1   17   11    6 o  371.769   19.268   39.903   4.0841   41.162   5.8440   38.701   5.7099  377.517   27.144  366.021   27.355 11.49588 38.53683 
1 1 1   17   11    8 o  666.403   40.470  130.729   15.380  130.729   15.380   0.0000   0.0000  666.403   40.470  ?   ?       ?      ? 
1 1 1   17   11   10 o  345.435   29.540   34.526   3.6756   34.296   3.9012   36.350   10.968  345.331   19.809  345.539   55.660 -0.2080078 59.08001 
1 1 1   17   11   12 o  297.256   36.056   25.956   4.3205   25.329   4.6932   29.440   11.062  295.010   27.896  299.503   66.498 -4.492920 72.11230 
1 1 1   17   11   14 o  223.673   33.462   14.815   4.2683   14.815   4.2683   0.0000   0.0000  223.673   33.462  ?   ?       ?      ? 
1 1 1   17   11   16 f  135.330   31.721   5.0287   2.3372   4.7687   2.5624   6.3151   5.7004  124.076   34.802  146.584   53.045 -22.50803 63.44243 
1 1 1   17   11   18 o  290.586   41.791   34.410   5.6737   38.413   6.4383   20.495   12.004  356.571   31.661  224.602   77.354 131.9695 83.58238 
1 1 1   17   11   20 o  293.346   26.285   27.160   4.2906   34.682   6.2379   20.405   5.9111  335.213   32.630  251.479   41.216 83.73407 52.56934 
1 1 1   17   11   22 o  164.443   43.739   11.528   5.8775   13.819   7.0158   6.1350   10.763  183.839   59.025  145.046   64.563 38.79292 87.47799 
1 1 1   17   11   24 o  119.851   35.697   3.8784   4.3358   8.3012   6.3432  -0.0000   5.9400  139.859   54.745   99.843   45.827 40.01660 71.39407 
1 1 1   17   11   26 o  106.394   32.214   2.8046   3.6792   8.0985   5.5264  -1.4096   4.9307  129.312   50.951   83.476   39.434 45.83613 64.42801 
1 1 1   17   11   28 o   95.161   31.677   2.9797   4.0737   4.6896   7.9309   2.3669   4.7480  100.545   48.196   89.778   41.120 10.76704 63.35358 
1 1 1   17   12    1 o  733.479   16.290  154.718   6.8133  152.014   9.5615  157.507   9.7112  726.964   23.063  739.995   23.012 -13.03040 32.58008 
1 1 1   17   12    3 o  545.247   17.820   85.753   5.5363   89.500   7.8116   81.972   7.8475  557.367   24.576  533.128   25.811 24.23840 35.63945 
1 1 1   17   12    5 o  442.940   18.916   56.821   4.7665   54.116   6.8735   59.327   6.6155  432.511   27.867  453.368   25.587 -20.85629 37.83184 
1 1 1   17   12    9 o  628.829   19.677  112.047   6.3747  108.658   7.4952  120.907   12.120  614.204   21.398  643.454   33.029 -29.25037 39.35465 
1 1 1   17   12   11 o  263.663   37.714   20.648   4.3693   20.051   4.8167   23.420   10.381  261.573   32.289  265.753   68.166 -4.179504 75.42719 
1 1 1   17   12   13 o  389.540   17.166   45.225   3.6471   48.486   4.6399   39.951   5.8998  409.637   19.862  369.444   28.002 40.19360 34.33099 
1 1 1   17   12   15 o  169.505   43.105   9.1775   4.1762   9.1775   4.1762   0.0000   0.0000  169.505   43.105  ?   ?       ?      ? 
1 1 1   17   12   17 o  114.867   36.261  -0.7474   4.8788  -3.3659   7.5426   1.1363   6.3973  110.756   51.127  118.978   51.435 -8.221359 72.52275 
1 1 1   17   12   19 o  129.174   40.188   0.3446   4.6959  -1.8177   5.2784   8.5518   10.284   95.408   43.569  162.941   67.544 -67.53285 80.37686 
1 1 1   17   12   21 o  113.045   33.375   0.9667   3.5203   7.1431   6.1836  -1.9950   4.2819  142.731   54.532   83.359   38.495 59.37240 66.74978 
1 1 1   17   12   23 o  172.597   44.881   15.333   6.3489   9.2428   11.544   17.974   7.6018  145.945   65.760  199.250   61.096 -53.30496 89.76135 
1 1 1   17   12   25 o  143.061   34.998   10.084   3.9248   4.4006   8.0732   11.844   4.4912  115.837   53.263  170.286   45.414 -54.44879 69.99512 
1 1 1   17   12   27 o  107.122   33.719   5.6606   4.3262   2.1717   7.9950   7.1052   5.1445   98.480   47.508  115.765   47.863 -17.28573 67.43759 
1 1 1   17   12   29 o   68.748   24.584  -4.6254   3.4296  -3.2656   7.7553  -4.9560   3.8239   78.935   39.604   58.561   29.137 20.37437 49.16732 
1 1 1   17   13    0 o  143.201   36.327   7.8554   3.8365   7.8554   3.8365   7.8554   3.8365  143.201   51.375  143.201   51.375 -0.000000 0.000000 
1 1 1   17   13    2 o  1153.61   16.137  383.277   10.615  377.796   15.016  388.752   15.009  1145.28   22.991  1161.94   22.650 -16.65967 32.27365 
1 1 1   17   13    4 o  494.578   18.253   70.694   5.1464   72.095   7.2304   69.256   7.3267  499.654   25.375  489.502   26.246 10.15186 36.50628 
1 1 1   17   13    6 o  759.788   16.688  166.500   7.2293  167.673   10.352  165.383   10.100  762.321   23.812  757.255   23.388 5.066101 33.37683 
1 1 1   17   13   10 o  690.180   14.537  135.462   5.5070  130.531   6.8526  144.454   9.2537  673.669   17.837  706.692   22.961 -33.02252 29.07498 
1 1 1   17   13   12 o  583.541   23.799  100.648   6.5375  100.534   7.4068  101.051   13.908  588.949   22.053  578.134   42.182 10.81512 47.59882 
1 1 1   17   13   14 o  327.798   18.515   29.458   3.3345   23.980   4.0999   40.163   5.7314  286.133   25.125  369.464   27.202 -83.33023 37.02964 
1 1 1   17   13   16 o  230.742   46.185   17.390   5.8653   17.390   5.8653   0.0000   0.0000  230.742   46.185  ?   ?       ?      ? 
1 1 1   17   13   18 o  309.019   43.460   37.081   7.0721   42.551   8.8272   27.276   11.818  363.750   42.553  254.288   75.793 109.4619 86.92091 
1 1 1   17   13   20 o  191.539   45.823   14.537   5.4693   17.316   11.192   13.665   6.2688  192.971   73.451  190.107   54.810 2.863464 91.64683 
1 1 1   17   13   22 o  119.336   37.215   1.6827   5.6492 -15.2216   11.385   7.2041   6.5067  100.792   50.169  137.880   54.980 -37.08793 74.42975 
1 1 1   17   13   24 o  104.393   34.213   0.3668   4.5222   5.2545   7.8117  -2.0968   5.5460  120.923   54.326   87.864   41.601 33.05932 68.42545 
1 1 1   17   13   26 f  102.890   34.089   1.7075   4.9006   9.4674   7.8278  -3.2943   6.2846  122.411   54.731   83.369   40.655 39.04276 68.17876 
1 1 1   17   13   28 o   82.072   28.201  -0.5355   3.5975   5.1993   6.6695  -2.8886   4.2723   96.426   45.646   67.718   33.130 28.70779 56.40139 
1 1 1   17   14    1 o  762.689   16.177  167.645   7.0361  168.978   9.9619  166.317   9.9392  765.738   22.812  759.639   22.943 6.099304 32.35399 
1 1 1   17   14    3 o  444.137   19.686   57.208   4.9688   51.307   6.9657   63.320   7.0898  420.484   29.048  467.789   26.576 -47.30472 39.37136 
1 1 1   17   14    5 o  553.439   17.838   88.615   5.6259   85.677   8.0063   91.480   7.9071  544.198   25.798  562.680   24.641 -18.48157 35.67515 
1 1 1   17   14    9 o  305.626   18.338   26.968   3.0864   26.476   3.8749   27.823   5.1047  302.550   22.458  308.701   28.996 -6.151001 36.67611 
1 1 1   17   14   11 o   73.136   23.895  -2.4262   2.3235  -2.6624   3.1307  -2.1365   3.4668   69.562   32.395   76.711   35.136 -7.148262 47.79060 
1 1 1   17   14   13 o  167.062   37.591   8.8265   3.1487   9.1453   3.3248   6.0537   9.8046  171.818   35.117  162.305   66.476 9.513062 75.18159 
1 1 1   17   14   15 o  200.353   26.385   11.350   2.8350   8.6944   3.4418   16.955   4.9998  165.577   37.340  235.130   37.286 -69.55307 52.76906 
1 1 1   17   14   17 o  166.114   54.966   9.6698   6.0610   9.6698   6.0610   0.0000   0.0000  166.114   54.966  ?   ?       ?      ? 
1 1 1   17   14   19 o  168.030   47.145   10.081   7.3275   1.8778   10.583   17.635   10.155  136.498   62.085  199.562   70.965 -63.06430 94.29012 
1 1 1   17   14   21 o  106.876   32.158   1.8035   3.7909 -17.5798   10.115   4.9709   4.0889   92.350   46.173  121.401   44.773 -29.05093 64.31598 
1 1 1   17   14   23 o   91.068   32.136  -8.3254   5.3809  -7.2270   11.073  -8.6649   6.1568  104.790   51.676   77.345   38.215 27.44469 64.27119 
1 1 1   17   14   25 o  107.719   34.510   3.7172   4.9308  -2.6425   7.8649   7.8356   6.3291   92.968   45.368  122.470   52.013 -29.50251 69.01906 
1 1 1   17   14   27 o   74.468   25.980  -3.8540   3.9272  -1.9315   5.8041  -5.4774   5.3335   79.242   38.735   69.693   34.632 9.549538 51.95952 
1 1 1   17   15    0 o  276.642   22.805   22.932   4.9075   22.932   4.9075   22.932   4.9075  276.642   32.251  276.642   32.251 0.000000 0.000000 
1 1 1   17   15    2 o  206.909   29.412   12.904   3.4031   8.8904   4.6626   17.479   4.9782  169.705   46.706  244.113   35.759 -74.40829 58.82306 
1 1 1   17   15    4 o  298.921   22.841   26.082   3.8918   26.772   5.6127   25.444   5.4011  302.674   32.517  295.169   32.086 7.505615 45.68213 
1 1 1   17   15    6 o  458.624   23.894   64.279   5.8666   53.342   9.6499   70.691   7.3889  423.769   39.930  493.480   26.255 -69.71115 47.78849 
1 1 1   17   15    8 o  104.699   47.856  -3.3531   6.3863  -3.3531   6.3863   0.0000   0.0000  104.699   47.856  ?   ?       ?      ? 
1 1 1   17   15   10 o  355.712   16.780   36.509   3.1959   35.938   3.8876   37.700   5.6129  352.646   19.331  358.779   27.433 -6.132721 33.55943 
1 1 1   17   15   12 o  300.574   19.078   25.939   3.1937   23.771   4.0361   29.570   5.2233  284.895   24.842  316.253   28.961 -31.35840 38.15585 
1 1 1   17   15   14 o  158.845   38.258   7.8439   3.3010   8.0412   3.5097   6.3307   9.7177  158.544   39.070  159.146   65.789 -0.6016846 76.51564 
1 1 1   17   15   16 o  113.699   34.829   0.9820   4.0631   2.5423   6.5376   0.0000   5.1865  124.476   52.864  102.922   45.362 21.55431 69.65887 
1 1 1   17   15   18 o  125.282   39.219   1.8868   4.9640   1.2017   5.7880   3.7927   9.6532  110.869   48.416  139.694   61.711 -28.82419 78.43732 
1 1 1   17   15   20 o  115.999   31.347   4.2219   3.0456   0.0000   5.7815   5.8434   3.5831  102.515   46.333  129.483   42.234 -26.96798 62.69318 
1 1 1   17   15   22 o   98.248   34.043  -5.0177   5.4181  -3.8865   10.962  -5.3834   6.2326  111.081   54.065   85.414   41.384 25.66715 68.08569 
1 1 1   17   15   24 o  112.320   33.051   5.1842   3.4747   4.6996   5.7922   5.4567   4.3429  110.356   48.306  114.284   45.123 -3.927994 66.10297 
1 1 1   17   15   26 f   78.413   26.574  -1.6790   3.5394   1.5739   4.6991  -5.9443   5.3808   86.694   40.137   70.133   34.839 16.56133 53.14839 
1 1 1   17   16    1 o  589.583   16.857  100.638   5.6615  105.977   8.0043   95.293   8.0089  605.473   23.181  573.692   24.479 31.78131 33.71359 
1 1 1   17   16    3 o  451.863   18.287   59.257   4.7109   61.323   6.7059   57.244   6.6194  459.724   25.578  444.002   26.142 15.72208 36.57396 
1 1 1   17   16    5 o  105.739   28.485   1.1390   2.8428  -4.6619   4.4497   5.1395   3.6952   79.441   37.507  132.037   42.881 -52.59608 56.96981 
1 1 1   17   16    7 o  357.474   29.159   37.937   5.8991   34.120   7.7808   43.097   9.0470  336.962   40.490  377.986   41.969 -41.02380 58.31715 
1 1 1   17   16    9 o  671.862   26.054  134.402   9.9320  154.733   14.700  117.327   13.472  719.157   35.843  624.567   37.823 94.59052 52.10869 
1 1 1   17   16   11 o   96.254   28.675   0.7241   2.6850   0.1025   3.6614   1.4473   3.9492   90.508   39.020  101.999   42.030 -11.49087 57.35090 
1 1 1   17   16   13 o  198.030   25.363   13.131   2.5592   15.091   3.1661   9.4370   4.3471  226.307   24.532  169.754   44.399 56.55228 50.72517 
1 1 1   17   16   15 o  184.041   45.797   11.440   5.9449   7.2438   7.5073   18.497   9.7349  152.447   59.589  215.634   69.560 -63.18674 91.59388 
1 1 1   17   16   19 o  113.273   37.877  -3.2340   6.5362  -6.7717   9.6339  -0.2168   8.8970  107.456   51.915  119.090   55.169 -11.63469 75.75432 
1 1 1   17   16   21 o  143.597   38.095   7.5770   5.0406   15.574   6.9614  -1.2365   7.3083  184.079   58.764  103.115   48.495 80.96410 76.19015 
1 1 1   17   16   23 o  144.261   37.408   10.123   4.2876   14.609   6.1708   5.9355   5.9619  170.716   55.413  117.807   50.268 52.90861 74.81571 
1 1 1   17   16   25 o  114.131   33.617   6.8397   3.5431   6.1997   4.4275   7.9794   5.9082  111.749   45.075  116.512   49.886 -4.763550 67.23393 
1 1 1   17   16   27 o   76.796   26.453  -1.0635   3.6278  -4.1527   4.7939   3.0765   5.5496   66.578   33.041   87.014   41.319 -20.43645 52.90547 
1 1 1   17   17    0 o  541.906   17.757   85.071   7.7227   85.071   7.7227   85.071   7.7227  541.906   25.112  541.906   25.112 0.000000 0.000000 
1 1 1   17   17    2 o  621.077   17.053  111.944   6.0392  114.422   8.6249  109.561   8.4590  627.830   24.089  614.324   24.145 13.50665 34.10672 
1 1 1   17   17    4 o  649.002   16.652  122.144   6.1585  115.977   8.5536  128.781   8.8741  631.922   23.735  666.081   23.362 -34.15894 33.30372 
1 1 1   17   17    6 o  277.179   32.263   24.274   4.8677   20.213   7.1906   27.709   6.6134  250.549   52.026  303.809   38.171 -53.25916 64.52692 
1 1 1   17   17    8 o  283.938   28.355   23.170   4.1865   21.368   4.9162   27.926   7.9862  268.101   32.154  299.776   46.714 -31.67480 56.71082 
1 1 1   17   17   10 o  192.171   30.322   12.449   3.3561   16.305   4.4254   7.2287   5.1490  233.002   33.304  151.339   50.682 81.66331 60.64462 
1 1 1   17   17   12 o  177.859   39.795   11.266   4.3562   7.7003   9.2142   12.292   4.9436  162.597   65.222  193.120   45.614 -30.52316 79.59033 
1 1 1   17   17   14 o  134.345   26.967   6.0223   2.2158   7.1967   2.8370   4.1855   3.5480  150.414   33.887  118.276   41.958 32.13784 53.93336 
1 1 1   17   17   16 o  263.651   47.999   28.454   7.3257   32.829   10.488   24.287   10.237  288.401   65.289  238.902   70.377 49.49927 95.99737 
1 1 1   17   17   20 o  151.055   38.862   9.7201   4.3715   12.230   6.4539   7.5925   5.9422  165.452   56.734  136.659   53.126 28.79366 77.72459 
1 1 1   17   17   22 o   95.248   31.289  -0.0479   4.2222   2.5504   5.4065  -4.1096   6.7597  102.233   45.613   88.264   42.842 13.96906 62.57837 
1 1 1   17   17   24 o  101.636   32.811   3.9905   4.2930   2.0913   6.4239   5.5232   5.7709   95.903   45.214  107.369   47.559 -11.46600 65.62122 
1 1 1   17   17   26 o   75.105   25.561  -0.6088   3.1825   0.7634   4.8238  -1.6664   4.2349   80.020   38.146   70.191   34.033 9.828728 51.12138 
1 1 1   17   18    1 o   76.134   25.033  -3.0557   2.6278  -3.7085   3.6292  -2.3363   3.8101   72.078   33.982   80.191   36.768 -8.113762 50.06689 
1 1 1   17   18    3 o  488.235   17.932   69.608   4.9917   69.061   6.9704   70.185   7.1517  486.370   25.130  490.101   25.588 -3.731262 35.86446 
1 1 1   17   18    5 o  206.700   35.287   13.859   4.1125   14.624   5.9122   13.143   5.7244  212.377   49.696  201.023   50.110 11.35379 70.57381 
1 1 1   17   18    7 o  124.142   32.616   4.0141   3.0947   3.1380   4.2975   4.9577   4.4600  116.708   45.232  131.576   47.004 -14.86798 65.23278 
1 1 1   17   18    9 o  458.252   29.795   65.537   7.7081   63.503   11.610   67.140   10.307  448.836   45.359  467.667   38.647 -18.83096 59.59065 
1 1 1   17   18   11 o  264.796   20.917   19.669   3.0535   15.292   3.7942   27.717   5.1445  225.762   29.470  303.829   29.691 -78.06686 41.83303 
1 1 1   17   18   13 f  138.728   27.453   6.9292   2.5026   9.1415   2.9898   1.7510   4.5741  170.748   31.877  106.708   44.706 64.03969 54.90691 
1 1 1   17   18   15 o  263.961   17.074   20.444   2.4882   28.592   3.7926   14.286   3.2969  310.599   21.411  217.323   26.602 93.27634 34.14807 
1 1 1   17   18   17 o  141.176   34.144   6.0561   3.4475   11.948   5.6262   2.5137   4.3625  176.296   52.239  106.056   43.980 70.24029 68.28754 
1 1 1   17   18   19 o  166.972   71.757   17.279   12.306   17.279   12.306   0.0000   0.0000  166.972   71.757  ?   ?       ?      ? 
1 1 1   17   18   21 o  104.131   33.975  -0.1672   4.9296  -6.7016   6.8161   6.9987   7.1379   83.650   41.112  124.613   54.100 -40.96284 67.94915 
1 1 1   17   18   23 o   95.561   30.976   1.8237   3.9410  -1.7594   5.5681   5.4204   5.5787   82.894   39.902  108.229   47.391 -25.33495 61.95217 
1 1 1   17   18   25 o   85.789   28.810   0.1378   4.0371  -6.6419   5.7874   6.5638   5.6344   68.981   34.553  102.596   46.112 -33.61598 57.62100 
1 1 1   17   19    0 o  671.569   16.798  130.627   9.0722  130.627   9.0722  130.627   9.0722  671.569   23.755  671.569   23.755 0.000000 0.000000 
1 1 1   17   19    2 o  611.851   17.294  109.478   6.0296  108.403   8.3424  110.654   8.7246  608.982   24.021  614.719   24.887 -5.736328 34.58879 
1 1 1   17   19    4 o  403.124   18.514   47.795   4.2561   48.005   5.9983   47.581   6.0400  404.090   26.029  402.158   26.336 1.932343 37.02827 
1 1 1   17   19    6 o  298.659   31.489   27.965   5.3350   28.191   7.2185   27.693   7.9197  301.480   41.985  295.837   46.942 5.643311 62.97869 
1 1 1   17   19    8 o  119.396   30.424   3.8994   2.6329   5.1472   4.0698   3.0012   3.4527  130.201   45.029  108.592   40.925 21.60930 60.84799 
1 1 1   17   19   10 o  252.633   41.109   21.724   5.8284   31.260   9.2087   15.352   7.5282  300.120   55.859  205.146   60.330 94.97372 82.21886 
1 1 1   17   19   12 o  114.110   26.352   3.2170   2.0895   6.9290   3.4097   0.9848   2.6441  144.945   39.960   83.275   34.362 61.67004 52.70306 
1 1 1   17   19   14 o   94.580   26.628   1.8918   2.2779   3.4725   2.5475  -4.4117   5.0872  105.837   35.648   83.324   39.565 22.51350 53.25551 
1 1 1   17   19   16 o  144.320   37.221   7.2019   3.2916   7.6687   9.0279   7.1303   3.5349  145.835   62.033  142.804   41.154 3.031769 74.44287 
1 1 1   17   19   18 o  136.135   39.335   3.6320   5.4535  -5.3654   7.1126   16.467   8.4950   92.296   44.595  179.973   64.809 -87.67719 78.66944 
1 1 1   17   19   20 o  192.762   48.632   25.766   7.3536   22.879   12.977   27.132   8.9248  162.575   71.699  222.948   65.723 -60.37257 97.26353 
1 1 1   17   19   22 o  100.821   31.944   3.2713   3.8930   0.4518   5.5354   6.0307   5.4760   89.630   42.169  112.011   47.995 -22.38076 63.88863 
1 1 1   17   19   24 o  127.999   34.676   10.578   4.1127   16.136   5.6636   4.3771   5.9819  160.518   53.135   95.480   44.570 65.03764 69.35255 
1 1 1   17   20    1 o  240.263   26.270   17.812   3.4979   15.589   4.8979   20.127   4.9972  222.276   40.115  258.249   33.931 -35.97260 52.54048 
1 1 1   17   20    3 o  183.837   27.971   10.647   2.9275   7.3608   4.0595   14.209   4.2258  150.983   44.273  216.692   34.196 -65.70906 55.94188 
1 1 1   17   20    5 o  262.205   37.792   23.646   5.2392   24.995   6.4524   21.038   8.9762  283.733   39.876  240.677   64.210 43.05611 75.58463 
1 1 1   17   20    7 o  373.131   19.954   41.616   4.2393   38.566   5.9257   44.813   6.0672  358.667   28.971  387.596   27.448 -28.92947 39.90869 
1 1 1   17   20    9 o  333.266   35.003   40.230   5.2895   30.017   10.105   44.085   6.2079  283.794   63.968  382.737   28.441 -98.94287 70.00549 
1 1 1   17   20   11 o  154.400   29.577   7.9990   2.6704   7.6548   3.7646   8.3475   3.7884  150.958   42.127  157.842   41.526 -6.883820 59.15374 
1 1 1   17   20   13 o  145.683   27.932   6.8761   2.4188   4.8060   3.1784   9.7248   3.7285  121.102   39.792  170.265   39.209 -49.16324 55.86327 
1 1 1   17   20   15 o  199.864   28.080   13.637   3.0858   12.551   4.2567   14.839   4.4797  190.710   40.395  209.019   39.017 -18.30836 56.16100 
1 1 1   17   20   17 o  133.280   39.511   6.5963   5.4804   10.653   7.0543   0.4195   8.7041  152.556   58.254  114.005   53.394 38.55172 79.02181 
1 1 1   17   20   19 o  115.388   38.423   3.3321   6.5396  -1.6025   12.159   5.3407   7.7572  111.810   54.944  118.966   53.727 -7.156380 76.84654 
1 1 1   17   20   21 o   83.317   29.065  -6.2957   5.0899 -13.7125   7.5868  -0.2253   6.8637   73.738   37.269   92.896   44.610 -19.15748 58.12954 
1 1 1   17   20   23 o   74.875   25.725  -1.6566   3.3014  -1.3420   5.6332  -1.8212   4.0745   79.478   38.699   70.272   33.904 9.205368 51.44999 
1 1 1   17   21    0 o  231.279   28.460   17.178   4.8270   17.178   4.8270   17.178   4.8270  231.279   40.249  231.279   40.249 -0.000000 0.000000 
1 1 1   17   21    2 o  372.626   19.796   41.442   4.2026   42.063   6.0988   40.880   5.7992  374.964   28.521  370.288   27.462 4.675507 39.59301 
1 1 1   17   21    4 o  353.919   28.666   39.888   5.6343   49.232   7.9524   30.470   7.9840  400.467   34.821  307.371   45.547 93.09546 57.33270 
1 1 1   17   21    6 o  350.557   21.435   37.194   4.2803   34.842   5.9751   39.673   6.1347  338.759   30.929  362.354   29.687 -23.59515 42.87078 
1 1 1   17   21    8 o  189.857   30.166   12.015   3.1864   12.093   4.5378   11.940   4.4752  190.369   42.834  189.346   42.489 1.023651 60.33271 
1 1 1   17   21   10 f  212.753   33.949   18.728   3.1582   10.475   8.5242   20.041   3.4002  166.096   63.890  259.411   22.984 -93.31511 67.89869 
1 1 1   17   21   12 o   98.020   28.401   1.9686   2.4776   1.8866   3.1506   2.1013   4.0110   93.987   37.984  102.053   42.233 -8.065750 56.80182 
1 1 1   17   21   14 o  131.987   27.872   5.9493   2.2596   4.9283   3.0123   7.2629   3.4168  120.174   38.686  143.801   40.135 -23.62744 55.74489 
1 1 1   17   21   16 o  118.580   25.835   4.0598   2.2081   0.6360   2.8933   8.8349   3.4169   79.835   34.552  157.325   38.417 -77.49013 51.66910 
1 1 1   17   21   18 o  112.599   36.304   3.3360   5.4413   6.9508   6.9193  -2.5224   8.8086  124.263   53.606  100.934   48.973 23.32951 72.60833 
1 1 1   17   21   20 o  162.160   42.427   21.103   7.2642   2.7421   12.722   29.985   8.8484  107.794   53.551  216.526   65.822 -108.7320 84.85424 
1 1 1   17   21   22 o  104.523   32.165   6.0855   3.5395   6.2476   3.9941   5.4928   7.6385  109.479   43.258   99.566   47.613 9.913124 64.32922 
1 1 1   17   22    1 o  459.087   18.074   62.833   4.7319   63.208   6.7161   62.463   6.6680  460.434   25.577  457.741   25.544 2.693024 36.14805 
1 1 1   17   22    3 o  263.115   31.043   22.491   4.5450   20.150   6.1562   25.295   6.7383  245.692   45.616  280.538   42.118 -34.84581 62.08669 
1 1 1   17   22    5 o  261.034   22.766   20.865   3.3813   22.820   4.9571   19.164   4.6240  272.603   31.886  249.466   32.502 23.13692 45.53153 
1 1 1   17   22    7 o  265.741   25.939   22.709   3.6774   15.949   5.1106   29.967   5.2957  218.394   42.563  313.088   29.659 -94.69371 51.87760 
1 1 1   17   22    9 o  102.273   27.654   1.5813   2.6882   5.5892   3.5919  -3.5219   4.0531  129.204   42.293   75.342   35.641 53.86150 55.30808 
1 1 1   17   22   11 o  174.222   42.483   12.235   5.0815   15.599   7.9270   9.8878   6.6208  190.391   62.854  158.053   57.171 32.33705 84.96573 
1 1 1   17   22   13 o  191.960   28.181   13.037   3.0321   16.086   4.1879   9.6778   4.3958  222.943   32.939  160.977   45.734 61.96577 56.36103 
1 1 1   17   22   15 o  249.852   23.353   20.883   3.2787   17.521   4.6701   24.151   4.6041  226.301   36.187  273.404   29.529 -47.10374 46.70576 
1 1 1   17   22   17 o   87.517   28.454   0.9475   2.4569  -3.8644   7.9084   1.4615   2.5848   94.126   45.836   80.909   33.728 13.21696 56.90777 
1 1 1   17   22   19 o   92.554   32.770  -5.1840   6.2382   2.1603   11.399  -8.3237   7.4533  105.333   52.035   79.775   39.848 25.55770 65.53955 
1 1 1   17   22   21 o   80.741   28.564  -4.7257   4.4414   4.6500   8.0399  -8.8435   5.3282   97.605   47.221   63.878   32.153 33.72673 57.12807 
1 1 1   17   23    0 o  367.120   19.661   40.261   5.7444   40.261   5.7444   40.261   5.7444  367.120   27.804  367.120   27.804 0.000000 0.000000 
1 1 1   17   23    2 o   73.418   24.199  -2.7314   2.5328  -5.2471   3.9638  -0.9955   3.2927   69.039   33.342   77.797   35.081 -8.758141 48.39772 
1 1 1   17   23    4 o   99.373   31.238  -0.3659   3.5283  -1.8127   4.6525   1.5927   5.4132   88.535   40.607  110.211   47.480 -21.67560 62.47618 
1 1 1   17   23    6 o  171.001   29.704   10.413   2.9678   6.9668   4.4993   13.067   3.9486  141.471   47.376  200.530   35.843 -59.05865 59.40745 
1 1 1   17   23    8 o  306.931   22.037   29.535   3.8485   31.308   5.4079   27.715   5.4781  317.389   29.877  296.473   32.400 20.91599 44.07306 
1 1 1   17   23   10 o  295.923   19.108   27.097   2.9645   27.197   3.5729   26.875   5.3111  301.473   20.782  290.373   32.072 11.09979 38.21666 
1 1 1   17   23   12 o  145.731   36.133   7.3235   4.8935  -4.7664   7.6162   15.823   6.3861   97.196   46.757  194.266   55.100 -97.06976 72.26510 
1 1 1   17   23   14 o  118.260   30.634   5.1760   2.7553   6.5288   3.8728   3.7894   3.9209  129.443   43.951  107.078   42.685 22.36569 61.26727 
1 1 1   17   23   16 o   84.312   27.185   0.4204   2.7291  -1.0658   5.2201   0.9793   3.2014   86.737   40.852   81.887   35.877 4.850006 54.36939 
1 1 1   17   23   20 o  148.997   60.780  -5.4850   4.6409 -18.1347   5.6440   20.924   8.1550  ?   ?   148.997   60.780      ?      ? 
1 1 1   17   24    1 o  106.580   29.320   3.0603   2.5611   2.9665   3.6323   3.1531   3.6118  105.904   41.434  107.257   41.496 -1.353088 58.64043 
1 1 1   17   24    3 o  176.667   37.929   11.983   4.1938   10.589   6.1742   13.176   5.7143  165.542   55.498  187.792   51.715 -22.25003 75.85779 
1 1 1   17   24    5 o  261.609   24.011   21.851   3.5815   22.038   5.1267   21.672   5.0056  262.460   34.251  260.759   33.660 1.701385 48.02279 
1 1 1   17   24    7 o  262.292   23.430   22.027   3.4749   25.640   5.0139   18.687   4.8203  284.900   30.860  239.683   35.265 45.21732 46.86052 
1 1 1   17   24    9 o  195.979   29.002   13.629   3.1342   14.772   4.3303   12.370   4.5422  207.679   37.961  184.279   43.856 23.39957 58.00310 
1 1 1   17   24   11 o  326.963   21.128   34.504   3.9353   35.314   5.4961   33.652   5.6374  331.963   29.032  321.963   30.703 9.999817 42.25534 
1 1 1   17   24   13 o  172.738   39.748   15.476   5.2277   7.8812   8.0802   20.943   6.8559  129.929   56.960  215.548   55.454 -85.61926 79.49609 
1 1 1   17   24   15 o  117.653   28.336   5.4969   2.5201   8.0862   3.4318   2.4662   3.7128  142.088   40.424   93.217   39.719 48.87113 56.67214 
1 1 1   17   24   17 o   63.401   30.700  -3.0247   3.4174   0.0000   0.0000  -3.0247   3.4174  ?   ?    63.401   30.700      ?      ? 
1 1 1   17   24   19 o  100.821   33.520   6.4439   5.0356   4.3195   8.1705   7.7451   6.3944   95.476   46.515  106.166   48.277 -10.68993 67.03964 
1 1 1   17   25    0 o  305.416   21.202   28.656   5.1069   28.656   5.1069   28.656   5.1069  305.416   29.984  305.416   29.984 -0.000000 0.000000 
1 1 1   17   25    2 o  210.246   37.758   18.016   4.6829   21.399   6.1571   13.375   7.2127  244.274   45.883  176.219   59.979 68.05472 75.51679 
1 1 1   17   25    4 o  119.964   29.761   4.6304   2.7513   7.4466   3.8024   1.5359   3.9858  143.539   43.040   96.390   41.115 47.14852 59.52177 
1 1 1   17   25    6 o  241.171   23.965   19.010   3.2849   17.109   4.5610   21.058   4.7349  227.479   35.158  254.863   32.577 -27.38391 47.93049 
1 1 1   17   25    8 o  253.975   25.270   22.195   3.4554   24.898   4.6255   18.783   5.1977  279.114   29.059  228.836   41.350 50.27841 50.53956 
1 1 1   17   25   10 o  105.523   28.846   3.7222   2.4760   3.1738   3.5021   4.2702   3.5011  101.112   40.331  109.934   41.253 -8.821266 57.69227 
1 1 1   17   25   12 o   89.647   26.047   1.0707   2.1103   5.0274   3.7101  -0.8216   2.5658  113.675   42.504   65.618   30.118 48.05655 52.09322 
1 1 1   17   25   14 o  102.792   33.571   2.9677   4.5072   4.5627   7.1572   1.9194   5.8023  108.566   50.005   97.018   44.806 11.54727 67.14181 
1 1 1   17   25   16 o   84.483   38.095   1.5735   3.8826   0.0000   0.0000   1.5735   3.8826  ?   ?    84.483   38.095      ?      ? 
1 1 1   17   25   18 o   68.087   23.491  -1.5168   2.5773 -11.5292   7.4951  -0.1742   2.7446   70.246   35.670   65.929   30.577 4.317207 46.98196 
1 1 1   17   26    1 o  200.759   36.651   16.573   4.4224   11.528   6.2782   21.541   6.2305  162.420   55.941  239.097   47.368 -76.67693 73.30208 
1 1 1   17   26    3 o  205.466   28.169   14.828   3.1718   16.859   4.7341   13.174   4.2726  218.902   39.370  192.031   40.299 26.87105 56.33825 
1 1 1   17   26    5 o  198.044   29.632   14.410   3.2436   13.152   4.6226   15.630   4.5524  186.755   44.107  209.333   39.584 -22.57803 59.26463 
1 1 1   17   26    7 o   86.508   26.456   0.7747   2.2756  -0.2793   2.7880   2.8778   3.9384   72.230   32.453  100.785   41.791 -28.55535 52.91159 
1 1 1   17   26    9 o  104.132   29.005   3.6173   2.4648   2.9972   3.1145   4.6568   4.0323   96.797   38.214  111.466   43.644 -14.66866 58.00935 
1 1 1   17   26   11 f  172.280   27.338   10.854   2.4308   12.702   4.5260   10.105   2.8818  173.755   45.234  170.805   30.714 2.950104 54.67568 
1 1 1   17   26   13 o   99.002   27.843   3.6393   2.2587   3.0918   2.7821   4.6979   3.8686   92.580   36.251  105.423   42.271 -12.84256 55.68634 
1 1 1   17   26   15 f   92.932   43.836   2.5818   6.0524   0.0000   0.0000   2.5818   6.0524  ?   ?    92.932   43.836      ?      ? 
1 1 1   17   26   17 o   75.549   34.965   0.9345   3.5614   0.0000   0.0000   0.9345   3.5614  ?   ?    75.549   34.965      ?      ? 
1 1 1   17   27    2 o  365.789   20.463   43.531   4.2686   43.301   6.0199   43.764   6.0537  364.824   28.934  366.754   28.944 -1.929260 40.92594 
1 1 1   17   27    4 o  127.480   31.319   6.4880   2.8164   5.3426   3.9529   7.6690   4.0139  117.518   43.886  137.441   44.695 -19.92274 62.63892 
1 1 1   17   27    6 o  163.271   29.103   10.654   2.7830   12.714   3.7422   8.1052   4.1628  187.794   36.255  138.748   45.536 49.04631 58.20584 
1 1 1   17   27    8 o   73.804   23.934  -0.3752   2.1563  -0.5316   2.6369  -0.0594   3.7463   67.472   30.805   80.135   36.638 -12.66253 47.86752 
1 1 1   17   27   10 o  279.329   23.681   28.108   3.7713   28.953   5.3896   27.297   5.2791  283.766   33.304  274.893   33.675 8.872009 47.36200 
1 1 1   17   27   12 f  208.730   26.426   19.514   2.4895   11.972   4.8808   22.166   2.8943  151.495   49.287  265.963   19.082 -114.4679 52.85188 
1 1 1   17   27   14 o   98.041   28.293   4.4436   2.5022   4.0396   3.4923   4.8698   3.5870   95.174   39.399  100.907   40.618 -5.732887 56.58689 
1 1 1   17   28    1 o   98.270   32.619  -0.1832   4.2336   5.5505   7.4923  -2.8727   5.1314  116.038   52.567   80.502   38.635 35.53616 65.23773 
1 1 1   17   28    3 o   87.190   27.294   1.2976   2.6829   1.2831   3.7210   1.3132   3.8719   86.660   38.297   87.719   38.900 -1.059647 54.58827 
1 1 1   17   28    5 o   92.330   27.446   2.5742   2.4524   2.8472   3.2930   2.2341   3.6748   93.626   38.457   91.034   39.169 2.592537 54.89216 
1 1 1   17   28    7 f   97.793   28.390   3.4968   2.5507   2.7875   3.6137   4.2010   3.6008   92.894   39.369  102.692   40.915 -9.798645 56.78015 
1 1 1   17   28    9 o  175.502   24.965   12.422   2.3115   9.6167   3.8862   13.958   2.8754  145.575   43.480  205.430   24.544 -59.85535 49.92941 
1 1 1   17   28   11 f   64.493   21.970  -2.0160   2.1643  -0.5072   3.8385  -2.7193   2.6207   74.002   34.907   54.984   26.686 19.01821 43.93913 
1 1 1   17   28   13 o   79.772   24.744   1.9344   2.0954   1.3816   2.6508   2.8551   3.4211   73.954   32.518   85.589   37.304 -11.63522 49.48740 
1 1 1   17   29    0 o  141.090   39.508   9.8478   4.3310   9.8478   4.3310   9.8478   4.3310  141.090   55.873  141.090   55.873 -0.000000 0.000000 
1 1 1   17   29    2 o   92.280   31.317  -0.0494   4.4078   3.0322   7.7288  -1.5348   5.3661  102.039   48.543   82.521   39.579 19.51725 62.63377 
1 1 1   17   29    4 o   92.887   28.288   2.8401   2.7390   1.7448   3.8353   3.9801   3.9130   86.320   38.473   99.455   41.482 -13.13486 56.57626 
1 1 1   17   29    6 o  100.661   27.664   2.4774   2.7546  -2.9296   3.7327   8.9430   4.0818   66.067   32.014  135.255   45.125 -69.18786 55.32770 
1 1 1   17   29    8 o   90.256   27.073   2.4755   2.5608   5.7126   3.7676  -0.3040   3.4911  108.039   42.219   72.473   33.902 35.56586 54.14594 
1 1 1   17   29   10 o  157.990   33.027   13.245   3.2097   14.722   4.5868   11.827   4.4932  170.015   46.132  145.965   47.276 24.05023 66.05402 
1 1 1   17   30    1 o   95.021   29.166   3.7209   2.9236   2.9298   3.9618   4.6668   4.3323   90.150   39.694   99.891   42.742 -9.741600 58.33121 
1 1 1   17   30    3 o   80.737   27.768  -1.4007   4.0825  -3.2549   6.4253  -0.1455   5.2867   79.421   39.202   82.053   39.336 -2.632111 55.53540 
1 1 1   17   30    5 o   85.042   26.671   0.9651   2.7594  -3.0563   3.7063   5.9663   4.1332   63.872   31.164  106.212   43.292 -42.34005 53.34219 
1 1 1   17   30    7 o   93.902   28.415   4.1968   2.6888   4.1452   3.4689   4.2745   4.2557   94.040   39.126   93.765   41.216 0.2748413 56.82954 
1 1 1   17   30    9 o   81.219   25.730   2.2392   2.5109   0.7258   3.6111   3.6558   3.4936   73.917   34.546   88.520   38.139 -14.60367 51.45908 
1 1 1   17   31    0 o  117.704   42.252   9.7406   5.0138   9.7406   5.0138   9.7406   5.0138  117.704   59.753  117.704   59.753 0.000000 0.000000 
1 1 1   17   31    2 o  152.606   32.219   12.733   3.0771   13.897   4.2010   11.387   4.5199  167.388   43.581  137.823   47.466 29.56461 64.43852 
1 1 1   17   31    4 o  144.892   39.100   19.694   5.3326   11.806   7.9497   26.146   7.1903  106.837   50.347  182.947   59.836 -76.11011 78.20007 
1 1 1   18    0    0 o  2540.19   27.264  1850.40   55.827  1850.40   55.827  1850.40   55.827  2540.19   38.558  2540.19   38.558 -0.000000 0.000000 
1 1 1   18    0    2 o  1611.94   19.838  745.554   25.773  745.554   25.773  745.554   25.773  1611.94   28.056  1611.94   28.056 -0.000000 0.000000 
1 1 1   18    0    4 o  1387.01   16.993  551.287   18.996  551.287   18.996  551.287   18.996  1387.01   24.032  1387.01   24.032 0.000000 0.000000 
1 1 1   18    0    6 o  253.600   42.558   21.527   7.5560   21.527   7.5560   21.527   7.5560  253.600   60.187  253.600   60.187 0.000000 0.000000 
1 1 1   18    0   10 o  490.640   17.975   69.627   7.0692   69.627   7.0692   69.627   7.0692  490.640   25.421  490.640   25.421 -0.000000 0.000000 
1 1 1   18    0   12 o  995.939   17.230  285.216   13.821  285.216   13.821  285.216   13.821  995.939   24.366  995.939   24.366 -0.000000 0.000000 
1 1 1   18    0   14 o  139.944   49.787   8.8105   6.9255   8.8105   6.9255   8.8105   6.9255  139.944   70.410  139.944   70.410 0.000000 0.000000 
1 1 1   18    0   16 o  355.938   16.994   37.014   4.8275   37.014   4.8275   37.014   4.8275  355.938   24.034  355.938   24.034 -0.000000 0.000000 
1 1 1   18    0   18 o  371.716   18.154   40.618   5.3828   40.618   5.3828   40.618   5.3828  371.716   25.674  371.716   25.674 0.000000 0.000000 
1 1 1   18    0   20 o  229.445   25.505   16.659   4.3712   16.659   4.3712   16.659   4.3712  229.445   36.069  229.445   36.069 0.000000 0.000000 
1 1 1   18    0   22 o   55.561   27.104  -2.5097   4.0633  -2.5097   4.0633  -2.5097   4.0633   55.561   38.332   55.561   38.332 0.000000 0.000000 
1 1 1   18    0   24 o   58.980   28.246  -1.1826   3.9876  -1.1826   3.9876  -1.1826   3.9876   58.980   39.946   58.980   39.946 -0.000000 0.000000 
1 1 1   18    0   26 o   67.068   29.171   1.7250   3.0627   1.7250   3.0627   1.7250   3.0627   67.068   41.255   67.068   41.255 -0.000000 0.000000 
1 1 1   18    0   28 o  101.456   33.859   5.4251   3.1302   5.4251   3.1302   5.4251   3.1302  101.456   47.884  101.456   47.884 -0.000000 0.000000 
1 1 1   18    0   30 o   33.709   17.628 -10.5021   3.7804 -10.5021   3.7804 -10.5021   3.7804   33.709   24.930   33.709   24.930 -0.000000 0.000000 
1 1 1   18    1    1 o  213.812   28.379   13.590   3.3765   11.731   4.7515   15.487   4.7990  196.645   43.521  230.978   36.432 -34.33292 56.75704 
1 1 1   18    1    3 o  254.461   30.539   20.251   4.1056   29.328   5.7916   11.081   5.8211  318.468   31.889  190.453   52.092 128.0153 61.07728 
1 1 1   18    1    5 o  547.193   20.524   84.002   5.6165   91.521   11.228   81.492   6.4864  561.549   35.060  532.836   21.346 28.71295 41.04735 
1 1 1   18    1    7 o  674.135   34.227  131.971   13.158  131.971   13.158   0.0000   0.0000  674.135   34.227  ?   ?       ?      ? 
1 1 1   18    1    9 o  646.201   23.666  121.576   8.1219  121.633   9.8463  121.453   14.366  648.866   26.609  643.537   39.146 5.329773 47.33296 
1 1 1   18    1   11 f  218.368   39.890   16.103   5.3895   20.717   6.6140   6.9838   9.2976  264.236   43.891  172.500   66.622 91.73572 79.78045 
1 1 1   18    1   13 o  697.432   17.351  139.628   6.6416  145.184   11.096  136.526   8.2907  706.797   27.529  688.068   21.128 18.72870 34.70241 
1 1 1   18    1   15 o  477.184   22.751   66.420   6.1545   59.868   8.1853   74.941   9.3351  450.583   31.854  503.784   32.492 -53.20120 45.50214 
1 1 1   18    1   17 o  217.635   29.847   14.425   3.4398   13.617   4.1985   16.075   5.9993  212.882   34.583  222.389   48.656 -9.507904 59.69394 
1 1 1   18    1   19 o  118.802   34.061   2.7599   3.6767   4.4934   4.9909   0.7025   5.4370  128.357   49.003  109.246   47.323 19.11083 68.12281 
1 1 1   18    1   21 o  162.872   26.222   8.6253   2.3927   7.0348   3.3013   10.385   3.4728  145.863   38.953  179.880   35.114 -34.01727 52.44314 
1 1 1   18    1   23 o   89.576   28.706  -0.8346   3.1803  -1.9191   4.6927   0.0867   4.3251   86.848   40.174   92.303   41.015 -5.455002 57.41203 
1 1 1   18    1   25 f  110.107   29.894   4.0636   2.6474   4.9334   3.8291   3.2669   3.6644  116.836   43.280  103.377   41.248 13.45922 59.78733 
1 1 1   18    1   27 o  104.590   28.714   4.2554   2.4867   4.8967   3.0952   3.0878   4.1764  111.173   39.216   98.007   41.952 13.16554 57.42712 
1 1 1   18    1   29 o  100.564   26.819   3.5994   2.3763   8.2010   3.5990   0.0428   3.1641  129.945   42.325   71.183   32.949 58.76211 53.63841 
1 1 1   18    2    0 o  2260.23   18.551  1464.13   33.807  1464.13   33.807  1464.13   33.807  2260.23   26.236  2260.23   26.236 0.000000 0.000000 
1 1 1   18    2    2 o  1007.50   14.899  291.494   8.3709  292.577   10.778  289.848   13.288  1010.51   18.703  1004.49   23.197 6.022766 29.79789 
1 1 1   18    2    4 o  691.575   17.507  137.568   6.9043  137.220   9.7147  137.923   9.8143  690.714   24.663  692.435   24.854 -1.720886 35.01343 
1 1 1   18    2    6 f  337.836   42.281   33.423   8.1461   33.423   8.1461   0.0000   0.0000  337.836   42.281  ?   ?       ?      ? 
1 1 1   18    2    8 o  700.982   14.874  141.192   5.9377  151.176   8.4659  131.525   8.3300  725.516   20.461  676.448   21.593 49.06873 29.74776 
1 1 1   18    2   10 o  531.402   17.936   81.040   5.4356   81.040   5.4356   0.0000   0.0000  531.402   17.936  ?   ?       ?      ? 
1 1 1   18    2   12 o  557.309   18.703   88.436   5.6943   84.826   7.0376   95.281   9.6901  542.247   22.758  572.372   29.686 -30.12396 37.40582 
1 1 1   18    2   14 o  798.709   16.369  184.779   7.4511  184.426   10.349  185.158   10.736  798.138   22.737  799.279   23.554 -1.141235 32.73777 
1 1 1   18    2   16 o  239.627   35.290   18.611   4.5272   19.414   5.6062   17.107   7.6755  253.505   38.779  225.749   58.972 27.75581 70.57999 
1 1 1   18    2   18 o  317.910   21.145   30.294   3.8089   33.959   5.3737   26.594   5.3997  338.256   27.857  297.565   31.819 40.69125 42.29065 
1 1 1   18    2   20 o  312.124   20.063   29.135   3.4470   30.135   5.6955   28.558   4.3301  314.202   31.786  310.046   24.490 4.156525 40.12553 
1 1 1   18    2   22 o  127.293   33.844   5.1354   3.3262   4.7464   4.5114   5.5987   4.9235  123.624   46.734  130.963   48.965 -7.339111 67.68793 
1 1 1   18    2   24 o  120.006   35.235   4.4692   3.8495   2.0998   7.5617   5.2980   4.4724  117.033   52.932  122.978   46.522 -5.944519 70.47067 
1 1 1   18    2   26 o  196.450   24.692   13.457   2.6518   9.8099   3.6034   17.766   3.9166  161.311   39.488  231.589   29.655 -70.27859 49.38362 
1 1 1   18    2   28 o  115.239   31.244   6.2848   2.8413   5.8630   3.6692   6.9166   4.4903  113.272   42.286  117.206   46.008 -3.934151 62.48834 
1 1 1   18    2   30 o   98.464   30.898   3.7786   2.9847   0.8861   3.4336   12.721   6.0375   73.884   34.243  123.044   51.441 -49.16034 61.79595 
1 1 1   18    3    1 o  712.246   16.066  145.949   6.3765  146.936   8.2058  144.445   10.131  715.842   20.101  708.651   25.068 7.191528 32.13143 
1 1 1   18    3    3 o  596.821   20.270  102.041   5.5388  101.560   6.1969  103.952   12.350  595.395   18.251  598.247   36.199 -2.851563 40.53981 
1 1 1   18    3    5 o  233.611   36.918   16.545   4.4695   16.304   5.3225   17.120   8.2311  232.892   41.601  234.330   61.000 -1.438522 73.83510 
1 1 1   18    3    7 o  429.281   20.783   52.919   5.0880   52.919   5.0880   0.0000   0.0000  429.281   20.783  ?   ?       ?      ? 
1 1 1   18    3    9 o  680.058   17.486  133.260   6.7704  136.233   9.9063  130.653   9.2745  686.988   25.285  673.129   24.160 13.85895 34.97219 
1 1 1   18    3   11 o  1124.95   17.335  364.728   11.109  347.655   15.285  383.845   16.173  1097.15   24.428  1152.74   24.602 -55.58728 34.67000 
1 1 1   18    3   13 o  851.202   18.043  209.986   8.7530  199.930   12.206  220.630   12.558  830.088   25.785  872.316   25.245 -42.22736 36.08551 
1 1 1   18    3   15 o  331.713   23.441   30.059   3.7710   27.971   4.2603   37.613   8.1043  310.076   24.093  353.350   40.218 -43.27463 46.88202 
1 1 1   18    3   17 o  128.136   37.285   2.0669   4.2936  -0.1587   5.3688   6.0162   7.1517  106.210   46.499  150.062   58.298 -43.85153 74.57070 
1 1 1   18    3   19 o  144.950   30.702   3.9275   3.2431   14.116   5.4956  -1.5165   4.0172  205.046   47.867   84.854   38.461 120.1922 61.40470 
1 1 1   18    3   21 o  114.151   29.983   3.0908   2.8986  -0.6334   4.2048   6.4629   4.0011   89.686   40.105  138.617   44.582 -48.93084 59.96681 
1 1 1   18    3   23 f   77.034   36.438  -3.3108   4.2346   0.0000   0.0000  -3.3108   4.2346  ?   ?    77.034   36.438      ?      ? 
1 1 1   18    3   25 o  105.498   31.477   3.0621   3.1837   3.3980   5.1100   2.8490   4.0702  109.156   46.556  101.841   42.377 7.315102 62.95495 
1 1 1   18    3   27 o   81.489   27.311  -1.1385   3.1250   0.0874   5.5860  -1.6969   3.7701   90.318   42.451   72.660   34.373 17.65793 54.62214 
1 1 1   18    3   29 o   68.051   22.746  -0.6464   2.2394   0.1294   2.6381  -2.6467   4.2361   67.270   30.752   68.832   33.525 -1.561325 45.49271 
1 1 1   18    4    0 o  854.321   11.768  208.760   8.1017  208.760   8.1017  208.760   8.1017  854.321   16.643  854.321   16.643 0.000000 0.000000 
1 1 1   18    4    2 o  900.003   19.866  237.081   9.7898  247.200   12.392  220.283   15.967  927.462   23.430  872.544   32.088 54.91797 39.73140 
1 1 1   18    4    4 o  277.476   33.804   24.245   4.6906   26.074   5.6523   20.200   8.4063  299.985   33.039  254.968   58.985 45.01706 67.60832 
1 1 1   18    4    6 o  1282.71   33.311  477.434   24.367  477.434   24.367   0.0000   0.0000  1282.71   33.311  ?   ?       ?      ? 
1 1 1   18    4    8 o  748.072   20.524  160.806   8.7560  160.806   8.7560   0.0000   0.0000  748.072   20.524  ?   ?       ?      ? 
1 1 1   18    4   10 o  616.290   26.458  109.873   9.2991  109.873   9.2991   0.0000   0.0000  616.290   26.458  ?   ?       ?      ? 
1 1 1   18    4   12 o  369.329   16.585   39.467   3.4837   40.314   4.7859   38.513   5.0807  373.749   22.454  364.908   24.414 8.841492 33.16984 
1 1 1   18    4   14 o  220.089   36.079   15.090   4.2950   16.851   7.2307   14.131   5.3389  227.919   56.025  212.259   45.475 15.65970 72.15813 
1 1 1   18    4   16 o  287.114   35.589   26.664   5.5492   34.878   7.9233   18.755   7.7742  338.029   41.102  236.198   58.112 101.8309 71.17860 
1 1 1   18    4   18 o  528.289   15.109   81.643   4.4657   81.303   7.0157   81.875   5.7902  526.076   23.384  530.502   19.139 -4.426147 30.21787 
1 1 1   18    4   20 o  245.840   22.372   18.374   3.1039   15.083   4.2323   22.204   4.5657  221.109   33.564  270.571   29.589 -49.46182 44.74480 
1 1 1   18    4   22 o  135.542   33.930   6.0628   3.3938   8.7453   4.9194   3.6266   4.6881  155.007   49.390  116.077   46.537 38.92953 67.86050 
1 1 1   18    4   24 o  113.275   31.821   3.1291   2.7743   1.6693   3.2302   7.2337   5.4165   90.587   37.728  135.964   51.254 -45.37698 63.64270 
1 1 1   18    4   26 o  108.308   28.771   2.8170   3.1750  -5.6229   4.9531   8.7041   4.1367   72.674   35.579  143.943   45.225 -71.26943 57.54265 
1 1 1   18    4   28 o  110.877   32.058   6.0157   3.1191   7.0519   5.3608   5.4853   3.8351  113.238   47.969  108.515   42.542 4.722778 64.11580 
1 1 1   18    5    1 o  2113.97   18.150  1286.59   21.878  1314.95   30.962  1258.30   30.918  2137.45   25.400  2090.49   25.934 46.96387 36.30095 
1 1 1   18    5    3 o  379.334   27.240   44.894   5.2749   49.868   6.4249   34.607   9.2393  415.936   27.086  342.733   47.271 73.20313 54.48093 
1 1 1   18    5    5 o  494.382   23.515   70.972   6.1555   71.091   7.4444   70.716   10.945  496.623   26.285  492.140   38.998 4.483032 47.02926 
1 1 1   18    5    7 o  866.218   24.473  216.232   12.090  216.232   12.090   0.0000   0.0000  866.218   24.473  ?   ?       ?      ? 
1 1 1   18    5    9 o  471.329   18.111   63.793   4.8194   61.556   6.3339   66.870   7.4271  461.940   24.043  480.719   27.091 -18.77856 36.22189 
1 1 1   18    5   11 o  425.137   19.678   51.987   4.7710   51.987   4.7710   0.0000   0.0000  425.137   19.678  ?   ?       ?      ? 
1 1 1   18    5   13 o  605.960   18.375  109.454   5.9706  115.590   7.4182   98.168   10.061  632.853   20.554  579.067   30.465 53.78613 36.75054 
1 1 1   18    5   15 o  586.666   14.500   96.508   4.7064  112.773   7.8744   87.469   5.8702  623.113   22.159  550.218   18.708 72.89557 29.00047 
1 1 1   18    5   17 o  156.575   38.568   7.8512   4.3319   4.7476   7.1629   9.6409   5.4394  142.497   57.384  170.653   51.547 -28.15631 77.13599 
1 1 1   18    5   19 o  254.134   34.545   22.333   4.5231   19.218   7.8986   23.853   5.5173  229.866   59.715  278.402   34.751 -48.53584 69.09037 
1 1 1   18    5   21 o  375.443   19.052   41.792   3.8371   40.048   4.6567   45.480   6.7722  367.023   22.248  383.862   30.936 -16.83960 38.10483 
1 1 1   18    5   23 o  111.306   33.478   2.6082   3.4909   1.9368   4.2177   4.0686   6.2204  100.673   42.592  121.939   51.664 -21.26582 66.95674 
1 1 1   18    5   25 o  108.643   28.971   4.1722   2.3595   4.5988   2.6981   2.7853   4.8649  113.332   36.627  103.953   44.897 9.378906 57.94182 
1 1 1   18    5   27 f   90.330   26.509   2.4119   2.4385   4.1202   2.9963  -0.9388   4.1964  102.558   38.227   78.101   36.736 24.45686 53.01733 
1 1 1   18    5   29 o   80.850   27.334   0.8479   3.1490  -1.5049   7.6702   1.3248   3.4535   83.786   41.617   77.914   35.449 5.872108 54.66811 
1 1 1   18    6    0 o  615.742   17.590  109.134   8.7026  109.134   8.7026  109.134   8.7026  615.742   24.876  615.742   24.876 0.000000 0.000000 
1 1 1   18    6    2 o  1040.87   16.565  311.497   9.8322  316.844   13.928  306.186   13.882  1049.84   23.264  1031.91   23.589 17.92542 33.13061 
1 1 1   18    6    4 o  521.612   22.725   78.691   6.3180   78.389   7.6740   79.326   11.131  521.562   25.800  521.663   37.416 -0.1010132 45.44913 
1 1 1   18    6    6 o  1439.40   23.915  596.732   19.631  596.732   19.631   0.0000   0.0000  1439.40   23.915  ?   ?       ?      ? 
1 1 1   18    6    8 o  1248.09   24.180  449.329   17.211  449.329   17.211   0.0000   0.0000  1248.09   24.180  ?   ?       ?      ? 
1 1 1   18    6   10 o  438.961   24.825   58.687   3.9067   59.394   4.1620   53.445   11.330  455.112   16.036  422.810   46.989 32.30145 49.64990 
1 1 1   18    6   12 o  458.796   50.193   64.076   13.133   64.076   13.133   0.0000   0.0000  458.796   50.193  ?   ?       ?      ? 
1 1 1   18    6   14 o  188.220   43.133   9.1700   4.2038   7.7977   4.5922   16.269   10.444  157.770   47.297  218.670   72.145 -60.89969 86.26670 
1 1 1   18    6   16 o  154.876   36.291   4.2615   3.6457   0.7291   4.2010   15.036   7.3369   99.948   42.408  209.803   58.904 -109.8551 72.58194 
1 1 1   18    6   18 o  207.622   33.917   14.131   4.2281   7.6770   5.7798   21.560   6.2014  153.451   53.628  261.794   41.537 -108.3432 67.83308 
1 1 1   18    6   20 o  208.771   32.312   19.105   3.9283   23.923   4.5149   4.0918   7.9692  281.106   28.164  136.435   58.164 144.6712 64.62392 
1 1 1   18    6   22 o  101.331   30.740   1.4847   3.0593   1.2189   3.7935   1.9790   5.1738   94.285   40.161  108.378   46.551 -14.09287 61.48046 
1 1 1   18    6   24 o  128.847   30.270   6.3945   2.6087   7.1059   3.0239   4.3237   5.1588  141.831   36.998  115.862   47.918 25.96947 60.53920 
1 1 1   18    6   26 o   89.658   26.146   2.3265   2.1471   2.8443   2.6114   1.2462   3.7723   92.373   35.403   86.942   38.484 5.430618 52.29114 
1 1 1   18    6   28 o  141.841   26.805   9.2042   2.4426   11.762   3.1883   5.5701   3.8006  176.153   32.949  107.529   42.289 68.62428 53.60969 
1 1 1   18    7    1 o  862.797   15.321  213.499   7.4792  216.511   11.345  211.183   9.9469  867.793   22.924  857.802   20.333 9.991333 30.64211 
1 1 1   18    7    3 o  757.780   16.942  165.214   7.3199  169.232   10.479  161.385   10.229  766.772   23.965  748.788   23.954 17.98395 33.88409 
1 1 1   18    7    5 f  926.519   17.048  246.472   8.5266  244.713   10.473  249.931   14.685  923.149   19.893  929.890   27.691 -6.741760 34.09583 
1 1 1   18    7    7 o  793.169   21.873  181.084   9.8940  181.084   9.8940   0.0000   0.0000  793.169   21.873  ?   ?       ?      ? 
1 1 1   18    7    9 o  226.820   35.382   21.344   4.2917   25.922   4.7860   2.5481   9.6970  298.979   28.070  154.661   64.959 144.3185 70.76476 
1 1 1   18    7   11 o  121.059   37.948  -1.4319   5.1924   1.4583   6.2739  -7.7158   9.2510  124.814   52.328  117.304   54.973 7.510323 75.89642 
1 1 1   18    7   13 o  494.265   26.954   71.306   7.5975   71.306   7.5975   0.0000   0.0000  494.265   26.954  ?   ?       ?      ? 
1 1 1   18    7   15 o  425.791   26.177   50.295   4.5434   48.477   4.9012   61.397   12.113  408.528   21.037  443.054   47.941 -34.52560 52.35366 
1 1 1   18    7   17 o  198.550   35.710   10.806   3.7181   7.6573   4.2902   20.308   7.4527  153.268   45.663  243.831   54.916 -90.56262 71.42058 
1 1 1   18    7   19 o  115.843   30.386   3.4808   3.0121   6.1396   3.6737  -1.9718   5.2611  136.841   42.558   94.845   43.383 41.99606 60.77254 
1 1 1   18    7   21 o  172.527   33.481   10.247   3.3174   8.7964   4.1900   12.684   5.4307  158.497   44.519  186.557   50.020 -28.06007 66.96252 
1 1 1   18    7   23 o   96.806   28.672   1.5634   2.2955   0.8631   2.6209   3.8703   4.7568   79.545   33.610  114.066   46.463 -34.52018 57.34454 
1 1 1   18    7   25 o  131.540   27.263   6.9265   2.6242   10.293   3.3624   1.6795   4.1974  169.497   35.902   93.583   41.039 75.91345 54.52691 
1 1 1   18    7   27 o  104.864   26.734   3.3316   2.1928   0.5344   2.7383   8.3314   3.6609   72.838   32.483  136.890   42.469 -64.05201 53.46724 
1 1 1   18    7   29 o   77.684   25.148   1.5387   2.4046   2.5374   2.5272  -8.0089   7.8142   81.405   33.593   73.963   37.434 7.441917 50.29688 
1 1 1   18    8    0 o   87.983   32.530   3.2677   3.0297   3.2677   3.0297   3.2677   3.0297   87.983   46.004   87.983   46.004 0.000000 0.000000 
1 1 1   18    8    2 o  802.102   16.783  185.317   7.6734  181.796   10.946  188.720   10.760  794.466   24.160  809.739   23.300 -15.27295 33.56540 
1 1 1   18    8    4 f  881.591   15.429  223.662   7.6240  224.104   9.9147  223.022   11.925  883.374   19.681  879.808   23.768 3.565857 30.85862 
1 1 1   18    8    6 o  532.704   21.983   87.244   5.3617   90.942   6.0796   74.303   11.373  562.739   18.944  502.670   39.674 60.06870 43.96518 
1 1 1   18    8    8 o  264.695   38.931   20.629   5.8767   20.629   5.8767   0.0000   0.0000  264.695   38.931  ?   ?       ?      ? 
1 1 1   18    8   10 o  110.488   32.379   0.9779   3.4392  -1.4046   5.0955   2.9715   4.6611  100.213   44.524  120.762   47.023 -20.54889 64.75759 
1 1 1   18    8   12 o  171.969   30.384   6.9793   2.7638   4.2838   3.1697   15.529   5.6451  121.275   39.731  222.663   45.979 -101.3880 60.76726 
1 1 1   18    8   14 o  164.453   46.586   8.6305   4.5679   8.6305   4.5679   0.0000   0.0000  164.453   46.586  ?   ?       ?      ? 
1 1 1   18    8   16 o  345.647   28.183   27.856   4.6752   21.234   5.1773   57.107   10.882  265.061   34.251  426.233   44.767 -161.1718 56.36629 
1 1 1   18    8   18 o  176.179   31.611   10.594   3.1801   11.715   4.1095   8.9190   5.0211  190.540   39.129  161.819   49.660 28.72079 63.22285 
1 1 1   18    8   20 o  291.851   38.414   33.254   4.0351   34.321   4.3333   26.292   11.070  339.729   22.366  243.973   73.500 95.75642 76.82751 
1 1 1   18    8   22 o  139.513   35.201   7.1958   3.3408   7.5754   3.7710   5.8111   7.2020  145.625   42.663  133.401   56.004 12.22398 70.40271 
1 1 1   18    8   24 o   97.405   31.700  -0.3092   3.2701   4.7130   7.0621  -1.6799   3.6894  119.715   52.839   75.095   35.037 44.62022 63.40005 
1 1 1   18    8   26 o   83.433   27.639  -2.1461   3.5517  -8.1845   5.2075   3.1057   4.8565   67.703   33.737   99.162   43.790 -31.45815 55.27881 
1 1 1   18    8   28 o   82.813   27.612   1.4198   2.3871   1.4128   2.4943   1.4958   8.2327   74.385   32.137   91.242   44.910 -16.85691 55.22402 
1 1 1   18    9    1 o  390.074   19.573   44.011   4.3538   44.619   6.1526   43.402   6.1617  392.811   27.465  387.336   27.895 5.475281 39.14654 
1 1 1   18    9    3 o  381.130   17.015   41.878   3.5235   41.865   4.3663   41.902   5.9663  381.688   20.059  380.571   27.490 1.117493 34.03045 
1 1 1   18    9    5 o  766.450   14.834  171.166   6.1289  175.967   7.5865  162.145   10.399  783.287   16.983  749.614   24.327 33.67328 29.66854 
1 1 1   18    9    7 o  457.007   29.660   60.686   7.7301   60.686   7.7301   0.0000   0.0000  457.007   29.660  ?   ?       ?      ? 
1 1 1   18    9    9 o  525.686   21.217   79.122   5.2639   78.030   5.9452   83.082   11.325  520.577   20.026  530.795   37.412 -10.21759 42.43417 
1 1 1   18    9   11 o  128.065   34.073   4.3399   3.1457   5.8106   3.3589  -6.1528   8.9716  137.842   40.230  118.288   55.004 19.55441 68.14603 
1 1 1   18    9   13 o  325.409   31.831   31.532   3.8577   31.065   4.1410   34.605   10.612  327.014   22.205  323.803   59.664 3.210815 63.66169 
1 1 1   18    9   15 o  157.738   37.014   7.8364   3.2723   7.8364   3.2723   0.0000   0.0000  157.738   37.014  ?   ?       ?      ? 
1 1 1   18    9   17 o  240.952   26.924   18.400   3.2076   18.640   3.8034   17.807   5.9692  250.206   26.655  231.697   46.787 18.50963 53.84749 
1 1 1   18    9   19 o  153.586   37.528   7.3311   2.9484   7.2321   3.0978   8.2838   9.6121  148.769   36.732  158.403   65.452 -9.634201 75.05502 
1 1 1   18    9   21 o  140.701   41.854   2.4867   4.7057   16.903   10.677  -0.9890   5.2424  186.017   71.515   95.386   43.505 90.63103 83.70825 
1 1 1   18    9   23 o  139.237   40.069   6.4660   3.5088   5.8055   3.6788   13.123   11.679  125.429   42.835  153.045   67.730 -27.61520 80.13831 
1 1 1   18    9   25 o   81.704   27.629  -4.2665   4.0411 -19.5171   7.8892   1.1585   4.7053   71.390   36.286   92.018   41.674 -20.62808 55.25766 
1 1 1   18    9   27 o  145.440   36.527   13.077   4.2421   17.392   5.8054   8.1335   6.2140  176.590   53.233  114.289   50.031 62.30116 73.05417 
1 1 1   18   10    0 o  430.715   18.862   53.873   6.4945   53.873   6.4945   53.873   6.4945  430.715   26.674  430.715   26.674 0.000000 0.000000 
1 1 1   18   10    2 o  679.867   16.845  133.306   6.5306  131.651   9.2287  134.967   9.2427  675.597   23.953  684.137   23.690 -8.540222 33.68913 
1 1 1   18   10    4 o  960.780   16.402  266.160   8.9865  261.742   12.680  270.619   12.738  952.704   23.338  968.857   23.054 -16.15314 32.80470 
1 1 1   18   10    6 o  612.216   19.581  105.325   6.0219  101.756   6.9669  115.871   11.975  594.622   20.545  629.810   33.341 -35.18799 39.16244 
1 1 1   18   10    8 o  509.754   20.773   76.301   5.4639   77.197   6.4996   74.143   10.089  517.225   22.035  502.282   35.221 14.94284 41.54575 
1 1 1   18   10   10 o  213.658   36.403   12.742   4.1591   9.4199   4.9537   20.680   7.6568  173.049   48.336  254.266   54.446 -81.21741 72.80602 
1 1 1   18   10   12 o  337.037   29.233   31.804   4.6049   29.943   5.1410   39.355   10.357  319.378   28.226  354.695   51.202 -35.31671 58.46649 
1 1 1   18   10   14 o  118.291   36.376   1.2820   3.6390   1.4897   3.9873   0.2470   8.9019  102.552   42.243  134.029   59.232 -31.47720 72.75242 
1 1 1   18   10   16 o  361.653   26.424   38.832   5.4499   38.832   5.4499   0.0000   0.0000  361.653   26.424  ?   ?       ?      ? 
1 1 1   18   10   18 o   95.287   30.134  -3.7802   2.2211  -5.1337   2.3647   6.3593   6.4722   47.513   23.513  143.062   55.492 -95.54926 60.26813 
1 1 1   18   10   20 o  179.372   51.377   15.020   8.1904   14.125   11.958   15.810   11.241  175.474   72.795  183.271   72.522 -7.796219 102.7544 
1 1 1   18   10   22 o  115.935   37.972   0.1232   6.2533  -9.1375   10.987   4.5604   7.6053  106.147   52.175  125.723   55.185 -19.57531 75.94486 
1 1 1   18   10   24 o   99.183   33.218  -1.8621   4.6625   5.2737   7.9163  -5.6523   5.7694  119.074   53.980   79.291   38.730 39.78324 66.43639 
1 1 1   18   10   26 o   94.215   30.274   2.5013   3.5209   2.9258   5.3552   2.1781   4.6729   96.671   44.045   91.759   41.546 4.912254 60.54749 
1 1 1   18   10   28 o   99.783   43.228  -0.0638   3.9701 -18.9757   8.1959   5.7340   4.5380  ?   ?    99.783   43.228      ?      ? 
1 1 1   18   11    1 o  263.519   24.982   20.978   3.5160   27.431   4.9956   14.642   4.9496  307.534   28.484  219.504   41.049 88.03035 49.96317 
1 1 1   18   11    3 o  395.840   19.047   45.380   4.2995   45.336   6.0496   45.425   6.1117  395.674   26.810  396.005   27.063 -0.3315125 38.09399 
1 1 1   18   11    5 o  360.664   19.865   37.736   4.0848   36.556   5.7137   38.970   5.8421  354.867   28.233  366.461   27.954 -11.59406 39.73075 
1 1 1   18   11    7 o  610.444   19.898  105.572   5.8453  103.181   6.6402  113.802   12.320  598.657   19.450  622.231   34.719 -23.57440 39.79570 
1 1 1   18   11    9 o  365.445   28.117   39.462   5.8105   36.674   7.6434   43.280   8.9436  350.971   38.187  379.918   41.279 -28.94699 56.23392 
1 1 1   18   11   11 o  337.120   24.915   31.904   4.2320   29.804   4.8785   38.291   8.5067  319.115   26.807  355.124   42.004 -36.00925 49.82901 
1 1 1   18   11   13 o  519.942   22.951   71.745   4.8737   68.128   5.2422   94.792   13.232  484.868   18.958  555.015   41.805 -70.14783 45.90252 
1 1 1   18   11   15 o  150.217   37.273   7.3023   3.2226   7.9689   3.3706   0.2087   10.996  157.958   37.902  142.476   64.190 15.48189 74.54507 
1 1 1   18   11   17 o  119.341   33.580   3.8602   3.0699   5.1994   3.2036 -11.1836   10.737  127.125   39.775  111.558   54.114 15.56763 67.15935 
1 1 1   18   11   19 o  185.389   38.922   13.043   4.4095   12.902   6.5218   13.162   5.9848  183.038   56.667  187.739   53.373 -4.700760 77.84483 
1 1 1   18   11   21 o  126.204   53.165   4.8928   6.5268   0.0000   0.0000   4.8928   6.5268  ?   ?   126.204   53.165      ?      ? 
1 1 1   18   11   23 o  106.233   33.330   2.6057   4.0148   2.8643   5.3635   2.2761   6.0547  106.196   46.485  106.270   47.778 -0.7415771E-01 66.66061 
1 1 1   18   11   25 o   95.882   30.731   2.2722   3.6115   2.9457   5.3610   1.7126   4.8867   99.184   44.741   92.581   42.140 6.603386 61.46122 
1 1 1   18   11   27 o  100.623   33.099   5.7291   4.3765   7.4070   8.5046   5.1247   5.1043  102.302   49.262   98.944   44.220 3.358139 66.19801 
1 1 1   18   12    0 o  478.542   17.957   66.317   6.8857   66.317   6.8857   66.317   6.8857  478.542   25.394  478.542   25.394 0.000000 0.000000 
1 1 1   18   12    2 o  367.239   19.454   39.130   4.0717   37.425   5.7458   40.851   5.7708  359.073   28.059  375.404   26.955 -16.33084 38.90872 
1 1 1   18   12    4 o  588.972   17.033  100.377   5.7108   93.039   8.0425  107.839   8.1104  566.974   24.873  610.969   23.277 -43.99500 34.06630 
1 1 1   18   12    6 o  123.489   34.175   3.0874   3.5092   3.8684   4.7303   2.1314   5.2333  127.284   47.915  119.694   48.742 7.590317 68.34942 
1 1 1   18   12    8 o  419.955   20.598   51.516   4.9207   53.039   7.2592   50.222   6.6931  425.385   29.924  414.525   28.313 10.86063 41.19503 
1 1 1   18   12   10 o  455.373   21.380   62.175   4.2713   62.820   4.7407   59.395   9.8454  466.631   17.815  444.115   38.873 22.51624 42.76049 
1 1 1   18   12   12 o  226.088   29.332   12.717   3.2724   9.6873   3.6946   23.748   7.0496  175.743   37.972  276.433   44.718 -100.6893 58.66497 
1 1 1   18   12   14 o  187.628   41.177   10.966   3.7415   10.620   3.9925   13.460   10.722  182.260   39.548  192.995   72.238 -10.73506 82.35490 
1 1 1   18   12   16 o  201.941   36.332   12.972   4.0303   12.972   4.0303   0.0000   0.0000  201.941   36.332  ?   ?       ?      ? 
1 1 1   18   12   18 o  117.090   38.178  -2.2096   5.0955  -4.6928   5.9214   4.8765   10.003   90.177   42.780  144.003   63.247 -53.82694 76.35661 
1 1 1   18   12   20 o  117.294   39.473  -3.9970   7.2655   2.5101   10.649  -9.6630   9.9373  131.541   60.732  103.047   50.438 28.49344 78.94526 
1 1 1   18   12   22 o   95.186   31.479  -1.1958   4.2521  -0.9579   6.0806  -1.4234   5.9484   96.319   44.953   94.052   44.078 2.266937 62.95740 
1 1 1   18   12   24 o  139.126   34.964   8.8119   3.3951   11.632   5.5849   7.1590   4.2760  151.491   52.729  126.762   45.931 24.72896 69.92821 
1 1 1   18   12   26 o   97.964   31.083   2.7296   4.0904  -5.0094   6.1114   9.0096   5.5053   75.506   37.443  120.422   49.624 -44.91602 62.16558 
1 1 1   18   13    1 o  547.749   17.297   86.848   5.4021   87.625   7.7330   86.108   7.5498  550.077   24.651  545.422   24.272 4.654907 34.59482 
1 1 1   18   13    3 o  345.193   20.037   34.708   3.9423   34.717   5.6687   34.699   5.4863  345.115   28.802  345.270   27.863 -0.1542969 40.07407 
1 1 1   18   13    5 o  216.554   29.872   14.370   3.5131   15.147   5.4767   13.828   4.5794  220.566   45.062  212.542   39.226 8.024521 59.74318 
1 1 1   18   13    7 o  764.937   23.741  173.323   10.336  164.568   14.806  181.645   14.436  745.008   34.849  784.866   32.252 -39.85840 47.48286 
1 1 1   18   13    9 o  428.497   29.553   56.348   7.1296   51.586   10.645   60.222   9.6013  409.377   45.595  447.616   37.613 -38.23880 59.10653 
1 1 1   18   13   11 o  214.407   23.818   13.773   2.6255   13.462   3.1601   14.466   4.7174  214.045   25.888  214.770   39.987 -0.7252502 47.63578 
1 1 1   18   13   13 o  334.420   28.025   35.771   4.7091   37.370   5.5904   31.864   8.7382  354.595   27.645  314.246   48.759 40.34888 56.05096 
1 1 1   18   13   15 o  281.020   38.379   27.222   4.0063   27.237   4.2921   27.118   11.166  302.774   24.858  259.266   72.621 43.50748 76.75775 
1 1 1   18   13   19 o  146.908   44.722   4.9273   7.2825   16.100   10.787  -4.4310   9.8720  180.411   71.151  113.405   54.202 67.00568 89.44473 
1 1 1   18   13   21 o  160.852   45.799   13.560   6.3080   14.290   12.032   13.283   7.4077  155.807   68.860  165.897   60.402 -10.09026 91.59711 
1 1 1   18   13   23 o   94.652   30.070   1.5214   3.1755   2.7035   5.6378   0.9721   3.8431  102.796   46.169   86.509   38.537 16.28716 60.13951 
1 1 1   18   13   25 o   71.508   25.175  -6.7340   4.0276  -7.9551   6.2578  -5.8704   5.2624   72.628   36.313   70.388   34.877 2.240005 50.34914 
1 1 1   18   13   27 o   67.261   23.420  -3.9132   3.3507 -11.4349   5.7814  -0.1088   4.1117   61.130   31.070   73.392   35.051 -12.26164 46.83919 
1 1 1   18   14    0 o  380.772   19.079   42.394   5.7915   42.394   5.7915   42.394   5.7915  380.772   26.982  380.772   26.982 0.000000 0.000000 
1 1 1   18   14    2 o  477.715   17.815   66.301   4.8525   67.098   6.9424   65.540   6.7852  480.471   25.337  474.960   25.050 5.510986 35.62936 
1 1 1   18   14    4 o  254.818   27.697   19.940   3.8538   23.126   5.3258   16.439   5.5835  279.859   33.370  229.776   44.215 50.08316 55.39370 
1 1 1   18   14    6 o  334.415   31.742   34.155   6.0413   36.751   8.5871   31.610   8.5009  347.775   43.297  321.054   46.429 26.72104 63.48463 
1 1 1   18   14    8 o  154.158   37.665   5.6059   3.4481   11.444   7.5410   4.0628   3.8772  186.447   61.293  121.869   43.794 64.57797 75.33068 
1 1 1   18   14   10 o  370.601   24.408   39.071   4.9461   33.848   6.0434   49.665   8.6077  336.828   31.461  404.375   37.326 -67.54700 48.81643 
1 1 1   18   14   12 o  291.344   20.112   25.332   3.2806   25.499   4.2678   25.092   5.1291  293.762   25.475  288.926   31.129 4.836182 40.22408 
1 1 1   18   14   14 o  175.252   35.629   10.052   3.4018   9.4964   3.9200   11.745   6.8460  170.126   40.906  180.379   58.348 -10.25259 71.25867 
1 1 1   18   14   16 o  104.842   35.418  -6.9187   5.6932 -10.1351   7.2699  -1.8182   9.1549   88.705   43.359  120.980   56.015 -32.27518 70.83566 
1 1 1   18   14   20 o  106.046   36.208  -3.3025   4.2927   7.1565   10.935  -5.2080   4.6674  138.048   62.913   74.044   35.860 64.00431 72.41502 
1 1 1   18   14   22 o   96.316   31.798  -1.9123   4.7768 -12.0959   7.7289   4.3819   6.0763   80.124   40.104  112.509   49.357 -32.38519 63.59623 
1 1 1   18   14   24 o  110.980   35.666   4.1750   4.5996   13.945   8.1203  -0.4405   5.5813  135.672   58.297   86.289   41.107 49.38250 71.33245 
1 1 1   18   14   26 o   87.089   30.217   0.6211   4.5738   7.1152   8.1461  -2.3687   5.5273   99.092   47.841   75.085   36.927 24.00645 60.43484 
1 1 1   18   15    1 o  468.212   18.267   63.938   4.8772   63.224   6.9095   64.646   6.8854  465.530   26.026  470.894   25.640 -5.363861 36.53410 
1 1 1   18   15    3 o  160.065   26.103   7.7613   2.8946   14.717   3.9866   0.0049   4.2098  223.346   31.299   96.785   41.783 126.5608 52.20585 
1 1 1   18   15    5 o  556.651   26.705   92.962   8.4069   78.010   11.583  109.609   12.221  507.686   40.006  605.617   35.385 -97.93112 53.40942 
1 1 1   18   15    7 o  936.143   20.027  243.977   10.102  217.302   12.158  303.454   18.154  861.814   24.737  1010.47   31.503 -148.6575 40.05448 
1 1 1   18   15    9 o  358.558   31.185   39.883   6.3489   42.862   9.5338   37.509   8.5105  369.716   45.218  347.400   42.957 22.31552 62.36934 
1 1 1   18   15   11 o  196.247   28.277   12.313   3.1052   15.062   4.3755   9.5238   4.4076  222.383   34.501  170.112   44.810 52.27063 56.55302 
1 1 1   18   15   13 o  129.813   30.168   5.3518   2.5555   5.2599   3.3204   5.4852   4.0023  128.189   40.548  131.437   44.680 -3.248230 60.33616 
1 1 1   18   15   15 o  182.900   39.171   8.6458   2.8839   7.6537   3.0167   19.182   9.8305  153.583   35.196  212.217   69.992 -58.63400 78.34295 
1 1 1   18   15   17 o  136.662   40.674   5.5150   4.7976   6.2995   10.208   5.2926   5.4353  144.693   63.713  128.631   50.578 16.06229 81.34791 
1 1 1   18   15   19 o  123.040   58.599  -0.0148   11.327  -0.0148   11.327   0.0000   0.0000  123.040   58.599  ?   ?       ?      ? 
1 1 1   18   15   21 o  113.425   37.643   2.7060   5.8956   0.5087   11.460   3.4968   6.8751  114.903   55.776  111.948   50.567 2.954979 75.28552 
1 1 1   18   15   23 o  119.363   36.110   4.5395   3.6433   16.351   7.9389   1.3885   4.1006  151.600   60.636   87.126   39.231 64.47361 72.22095 
1 1 1   18   15   25 o  122.418   37.160   12.361   4.9124   10.567   8.2949   13.330   6.0965  109.947   51.694  134.888   53.398 -24.94154 74.32082 
1 1 1   18   16    0 o  408.263   18.986   48.803   6.1895   48.803   6.1895   48.803   6.1895  408.263   26.851  408.263   26.851 -0.000000 0.000000 
1 1 1   18   16    2 o  406.317   19.667   48.532   4.5567   47.672   6.4101   49.411   6.4787  402.632   27.917  410.002   27.708 -7.370422 39.33302 
1 1 1   18   16    4 o  486.395   18.920   69.522   5.2465   68.379   7.4682   70.635   7.3719  482.234   27.156  490.556   26.351 -8.322144 37.83963 
1 1 1   18   16    6 o  465.511   28.865   65.559   7.5790   60.229   9.8770   73.190   11.819  444.307   38.981  486.715   42.582 -42.40823 57.72951 
1 1 1   18   16    8 o  194.989   28.346   12.372   2.8726   13.127   3.4688   10.724   5.1246  210.058   28.957  179.920   48.738 30.13817 56.69101 
1 1 1   18   16   10 o  196.117   37.305   12.181   5.5392  -1.5216   7.9540   25.084   7.7185  119.116   54.041  273.118   51.442 -154.0023 74.61083 
1 1 1   18   16   12 o  334.823   17.509   32.796   3.2380   31.252   4.0607   35.493   5.3658  325.683   21.863  343.963   27.355 -18.27960 35.01816 
1 1 1   18   16   14 o  285.523   23.829   27.011   3.2516   28.842   3.7983   21.987   6.2910  312.195   21.334  258.850   42.617 53.34515 47.65833 
1 1 1   18   16   16 o  193.361   48.240   17.122   7.2225   9.3814   10.489   24.103   9.9602  156.067   66.635  230.656   69.771 -74.58842 96.47955 
1 1 1   18   16   18 o  113.483   37.051   0.1663   5.7769   3.5985   7.4212  -5.1118   9.2029  121.664   53.909  105.303   50.842 16.36159 74.10223 
1 1 1   18   16   20 o  133.558   62.405   9.0752   11.772   9.0752   11.772   0.0000   0.0000  133.558   62.405  ?   ?       ?      ? 
1 1 1   18   16   22 o  100.533   33.193   1.3476   4.3807   7.2757   7.5255  -1.6907   5.3875  117.455   52.993   83.611   39.984 33.84436 66.38524 
1 1 1   18   16   24 o  108.322   35.093   7.4733   4.6899   10.841   8.0427   5.7379   5.7730  114.260   52.762  102.383   46.283 11.87705 70.18538 
1 1 1   18   17    1 o  285.277   22.273   24.206   3.6117   27.010   5.2297   21.649   4.9940  301.457   30.420  269.096   32.542 32.36084 44.54630 
1 1 1   18   17    3 o  454.450   18.293   60.604   4.7105   51.782   6.4905   70.421   6.8470  418.874   27.171  490.026   24.501 -71.15265 36.58645 
1 1 1   18   17    5 f  547.622   25.756   91.218   8.0423   89.832   11.252   92.666   11.499  543.483   36.305  551.762   36.543 -8.278564 51.51117 
1 1 1   18   17    7 o  274.998   26.311   23.585   3.9130   17.576   5.4498   29.981   5.6220  234.196   42.363  315.800   31.217 -81.60345 52.62271 
1 1 1   18   17    9 o  121.633   37.504   1.0963   4.9285  -1.2524   7.6635   2.7528   6.4360  117.463   53.193  125.803   52.885 -8.340157 75.00824 
1 1 1   18   17   11 o  293.108   22.499   26.232   3.7556   24.427   5.1929   28.212   5.4381  282.279   32.258  303.937   31.374 -21.65808 44.99898 
1 1 1   18   17   13 o  172.341   28.783   10.066   2.8197   12.274   3.9495   7.7695   4.0271  194.190   37.014  150.492   44.087 43.69810 57.56507 
1 1 1   18   17   15 o  254.331   24.140   21.218   3.2690   26.671   4.5574   15.438   4.6917  294.910   27.098  213.753   39.957 81.15643 48.27946 
1 1 1   18   17   17 o  111.896   35.756   1.5057   4.8568   3.3717   5.8436  -2.6624   8.7338  115.280   49.492  108.512   51.617 6.767593 71.51114 
1 1 1   18   17   19 o  198.150   51.125   23.748   7.9568   41.733   12.852   12.569   10.132  250.372   79.836  145.928   63.884 104.4436 102.2492 
1 1 1   18   17   21 o  147.700   41.500   13.531   5.5508   19.760   8.0275   7.8228   7.6839  174.837   62.996  120.562   54.042 54.27579 82.99992 
1 1 1   18   17   23 o  106.150   34.569   5.9472   4.5386   10.839   7.9045   3.5411   5.5434  116.896   53.357   95.405   43.967 21.49100 69.13779 
1 1 1   18   18    0 o  463.689   17.916   62.879   6.6543   62.879   6.6543   62.879   6.6543  463.689   25.337  463.689   25.337 0.000000 0.000000 
1 1 1   18   18    2 o  464.418   17.997   63.618   4.7638   66.595   6.7953   60.742   6.6802  475.331   25.068  453.506   25.829 21.82513 35.99399 
1 1 1   18   18    4 o  610.744   23.866  113.256   8.3028  118.938   11.722  107.535   11.762  627.178   32.774  594.310   34.702 32.86774 47.73273 
1 1 1   18   18    6 o  343.680   21.846   35.810   4.2561   32.655   6.1485   38.712   5.8975  327.815   32.889  359.544   28.762 -31.72827 43.69141 
1 1 1   18   18    8 o  202.154   30.726   13.489   3.4367   13.190   4.8174   13.800   4.9042  199.768   43.517  204.540   43.388 -4.772110 61.45131 
1 1 1   18   18   10 o  136.487   39.246   4.2644   5.2491  -3.0246   8.5505   8.6727   6.6496  115.504   53.705  157.471   57.244 -41.96697 78.49269 
1 1 1   18   18   12 o  304.817   18.342   28.565   2.9591   26.534   5.1342   29.575   3.6210  293.133   30.712  316.501   20.061 -23.36761 36.68380 
1 1 1   18   18   14 f  206.493   23.897   13.349   2.7008   10.349   3.5297   17.586   4.1947  176.382   36.301  236.604   31.087 -60.22218 47.79322 
1 1 1   18   18   16 o  109.947   34.099   1.5686   3.7586  -0.2047   4.4802   5.7822   6.9060   90.383   40.823  129.512   54.630 -39.12920 68.19836 
1 1 1   18   18   18 o  227.321   36.439   25.291   4.2239   27.066   4.6691   17.291   9.9110  289.388   28.292  165.255   67.162 124.1323 72.87778 
1 1 1   18   18   20 o   90.638   31.109  -0.7248   3.9410  -8.0077   11.774   0.1941   4.1823   97.555   48.926   83.721   38.436 13.83466 62.21803 
1 1 1   18   18   22 o  110.881   34.816   7.4490   4.5737   9.0819   5.8140   4.7978   7.4084  120.347   50.410  101.415   48.036 18.93249 69.63249 
1 1 1   18   18   24 o   77.923   27.480  -2.3178   4.3691   3.2012   7.5752  -5.0690   5.3483   88.246   43.365   67.600   33.765 20.64556 54.95972 
1 1 1   18   19    1 o  380.035   20.056   43.297   4.3362   41.465   6.2584   44.988   6.0137  371.536   29.537  388.533   27.141 -16.99689 40.11294 
1 1 1   18   19    3 o  340.214   20.750   34.852   4.0184   36.555   5.6248   33.076   5.7428  349.373   28.231  331.055   30.418 18.31836 41.49980 
1 1 1   18   19    5 o  161.930   33.091   7.3529   3.7510   15.968   5.7914   1.1270   4.9233  217.377   48.000  106.484   45.564 110.8926 66.18194 
1 1 1   18   19    7 o  282.379   21.961   24.326   3.5323   24.290   5.1158   24.360   4.8831  281.702   31.844  283.055   30.251 -1.352386 43.92192 
1 1 1   18   19    9 o  305.652   18.970   28.047   3.1857   27.670   3.9981   28.703   5.2722  305.085   22.979  306.220   30.190 -1.135193 37.94064 
1 1 1   18   19   11 o  201.711   43.742   15.222   5.6390   24.488   9.1335   9.5134   7.1684  244.980   64.492  158.442   59.113 86.53760 87.48454 
1 1 1   18   19   13 o   91.740   27.775   1.1327   2.4621   1.2503   2.9809   0.8801   4.3677   86.948   36.230   96.533   42.110 -9.585167 55.55046 
1 1 1   18   19   15 o   66.967   21.679  -0.7889   1.7099  -0.5863   2.0236  -1.2948   3.1971   61.168   27.550   72.766   33.480 -11.59891 43.35811 
1 1 1   18   19   17 o  148.597   38.967   9.0869   4.4383   4.6836   5.5503   16.896   7.3912  115.443   48.851  181.751   60.723 -66.30769 77.93344 
1 1 1   18   19   19 o  286.201   54.023   37.822   8.4942   37.822   8.4942   0.0000   0.0000  286.201   54.023  ?   ?       ?      ? 
1 1 1   18   19   21 o  109.780   36.100   7.2960   5.1582   8.9819   12.447   6.9464   5.6677  108.520   53.748  111.040   48.208 -2.519981 72.19993 
1 1 1   18   19   23 f   94.973   30.493   2.7004   3.9462   11.679   5.7934  -5.0709   5.3898  121.708   50.594   68.237   34.053 53.47166 60.98694 
1 1 1   18   20    0 o  177.043   34.894   11.351   4.3105   11.351   4.3105   11.351   4.3105  177.043   49.348  177.043   49.348 0.000000 0.000000 
1 1 1   18   20    2 o  296.615   22.430   27.038   3.7667   24.511   5.4603   29.332   5.2030  281.858   33.970  311.372   29.301 -29.51447 44.86052 
1 1 1   18   20    4 f  446.872   26.011   62.696   6.6117   63.476   9.0822   61.818   9.6436  451.464   35.276  442.280   38.234 9.183960 52.02119 
1 1 1   18   20    6 o  277.238   23.766   23.798   3.7513   25.414   5.4944   22.387   5.1343  285.969   33.691  268.507   33.530 17.46225 47.53220 
1 1 1   18   20    8 o  330.163   20.992   33.792   3.9036   30.108   5.7467   36.947   5.3192  311.042   32.397  349.284   26.704 -38.24182 41.98403 
1 1 1   18   20   10 o  154.542   42.388   8.6173   5.1943   11.985   8.5431   6.6421   6.5426  169.242   64.231  139.841   55.330 29.40137 84.77644 
1 1 1   18   20   12 o  154.438   30.474   8.5920   2.7889   9.0153   3.7643   8.0768   4.1526  160.095   41.038  148.781   45.061 11.31343 60.94797 
1 1 1   18   20   14 f  112.390   29.648   3.8029   2.4492   2.5842   3.0019   6.2294   4.2357   95.859   37.621  128.922   45.833 -33.06362 59.29563 
1 1 1   18   20   16 o  134.702   25.793   6.5554   2.0376   7.5221   2.9704   5.6963   2.8003  144.510   36.138  124.894   36.814 19.61623 51.58678 
1 1 1   18   20   18 o  294.663   46.825   36.613   7.8686   36.613   7.8686   0.0000   0.0000  294.663   46.825  ?   ?       ?      ? 
1 1 1   18   20   20 o  112.729   31.659   6.4309   3.0398   5.9384   5.5736   6.6395   3.6267  106.749   47.038  118.709   42.388 -11.96008 63.31898 
1 1 1   18   20   22 o  105.062   35.579   11.771   6.6668   4.7722   12.697   14.435   7.8334   92.797   47.048  117.327   53.384 -24.53015 71.15756 
1 1 1   18   21    1 o  398.648   19.304   48.133   4.3788   46.125   6.3092   50.000   6.0821  389.688   28.390  407.608   26.165 -17.92038 38.60828 
1 1 1   18   21    3 o  439.979   25.344   60.734   6.3359   56.932   8.5256   65.423   9.4691  425.527   35.132  454.430   36.538 -28.90286 50.68844 
1 1 1   18   21    5 o  362.646   20.136   40.270   4.1504   38.375   6.0144   41.993   5.7347  353.286   29.852  372.006   27.031 -18.71982 40.27171 
1 1 1   18   21    7 o  150.028   30.975   8.1022   3.0734   11.051   4.0411   4.0565   4.7333  180.766   40.236  119.290   47.105 61.47524 61.94992 
1 1 1   18   21    9 o  214.439   26.616   16.244   2.9711   19.779   3.8547   11.069   4.6636  253.964   26.615  174.914   46.101 79.05013 53.23206 
1 1 1   18   21   11 o  142.570   35.015   5.6393   3.3351   2.5496   3.9043   13.980   6.4146  102.049   41.890  183.092   56.119 -81.04229 70.03001 
1 1 1   18   21   13 o  183.117   20.940   10.745   2.1800   11.342   3.2392   10.251   2.9474  187.233   30.336  179.000   28.873 8.233200 41.88036 
1 1 1   18   21   15 o  141.051   31.276   8.0270   2.7799   7.8598   3.6399   8.2611   4.3066  141.573   42.033  140.530   46.325 1.042938 62.55225 
1 1 1   18   21   17 o  176.024   36.497   16.871   4.4492   20.146   5.5629   11.057   7.4122  218.139   46.157  133.909   56.547 84.23010 72.99354 
1 1 1   18   21   19 o  174.296   58.675   19.881   6.9017   19.881   6.9017   0.0000   0.0000  174.296   58.675  ?   ?       ?      ? 
1 1 1   18   21   21 o  112.907   35.897   10.951   4.7318   13.818   7.7437   9.2422   5.9777  116.152   52.937  109.661   48.497 6.491371 71.79359 
1 1 1   18   22    0 o  150.743   36.447   9.0548   3.9788   9.0548   3.9788   9.0548   3.9788  150.743   51.544  150.743   51.544 -0.000000 0.000000 
1 1 1   18   22    2 o  183.150   40.658   12.568   4.7360   9.3628   6.1295   17.315   7.4603  157.716   55.221  208.584   59.691 -50.86812 81.31657 
1 1 1   18   22    4 o  112.844   30.551   1.1053   3.0813  -3.2829   3.8984   8.4114   5.0302   74.091   35.019  151.598   50.070 -77.50695 61.10139 
1 1 1   18   22    6 o  173.547   28.198   10.272   2.9599   15.670   4.2887   5.3618   4.0902  221.271   33.986  125.823   45.006 95.44793 56.39687 
1 1 1   18   22    8 o  271.012   24.423   23.984   3.7409   26.702   5.2256   21.128   5.3576  289.508   31.651  252.516   37.204 36.99254 48.84587 
1 1 1   18   22   10 o  381.847   20.356   46.301   4.4123   50.150   6.1790   42.297   6.3026  400.290   27.068  363.404   30.411 36.88596 40.71261 
1 1 1   18   22   12 o  115.170   36.277   2.2138   4.6601   8.5803   7.7946  -1.3278   5.8136  137.064   57.939   93.276   43.670 43.78815 72.55349 
1 1 1   18   22   14 o  130.940   28.775   6.5919   2.4224   4.9228   3.2850   8.5813   3.5865  113.559   40.364  148.321   41.021 -34.76215 57.54975 
1 1 1   18   22   16 o  109.866   28.546   4.9542   2.3474   5.1205   3.1126   4.7348   3.5745  112.232   39.347  107.501   41.367 4.731468 57.09136 
1 1 1   18   22   18 o  103.806   51.674   6.0344   12.088   6.0344   12.088   0.0000   0.0000  103.806   51.674  ?   ?       ?      ? 
1 1 1   18   22   20 o   78.724   27.305  -0.6100   3.9324  -0.0522   7.0808  -0.8588   4.7286   83.038   41.019   74.411   36.051 8.626686 54.61012 
1 1 1   18   23    1 f  110.888   29.174   3.5430   2.5899   1.4213   3.6679   5.6529   3.6576   94.038   39.748  127.737   42.716 -33.69943 58.34845 
1 1 1   18   23    3 o  273.252   33.255   27.388   4.8680   32.656   6.5857   21.044   7.2277  315.311   36.624  231.192   55.518 84.11844 66.51038 
1 1 1   18   23    5 o  102.468   29.421   2.6435   2.6945   3.1157   3.7922   2.1621   3.8292  105.683   42.026   99.253   41.186 6.429794 58.84254 
1 1 1   18   23    7 o  162.727   31.467   9.8490   3.0238   11.218   4.3279   8.5432   4.2266  174.940   43.550  150.514   45.433 24.42612 62.93440 
1 1 1   18   23    9 o  138.689   31.902   7.2542   2.9518   5.2638   3.9946   9.6483   4.3811  120.090   44.259  157.289   45.957 -37.19853 63.80387 
1 1 1   18   23   11 o  122.451   30.281   5.3656   2.6912   3.0882   3.5454   8.4617   4.1339  100.092   40.349  144.810   45.162 -44.71797 60.56118 
1 1 1   18   23   13 o   83.104   28.283  -4.0142   4.1684 -12.1760   7.1443   0.1984   5.1327   75.644   37.961   90.564   41.936 -14.92088 56.56516 
1 1 1   18   23   15 o  103.610   27.945   3.9573   2.3977   6.5631   3.5746   1.8260   3.2328  122.298   42.206   84.923   36.638 37.37518 55.89058 
1 1 1   18   23   17 o   61.861   29.077  -1.0501   2.6215   0.0000   0.0000  -1.0501   2.6215  ?   ?    61.861   29.077      ?      ? 
1 1 1   18   23   19 o   71.815   25.386  -4.8694   4.3432  -7.7096   6.7579  -2.8706   5.6690   70.255   35.468   73.375   36.329 -3.120415 50.77205 
1 1 1   18   24    0 o   85.874   34.333   3.5145   3.6529   3.5145   3.6529   3.5145   3.6529   85.874   48.554   85.874   48.554 0.000000 0.000000 
1 1 1   18   24    2 o  149.566   36.430   9.0836   3.7950   9.8557   5.0969   8.1230   5.6851  157.077   50.297  142.054   52.713 15.02261 72.85902 
1 1 1   18   24    4 o  460.232   18.458   66.091   4.8410   65.403   6.9535   66.737   6.7438  457.030   26.679  463.435   25.517 -6.405304 36.91698 
1 1 1   18   24    6 o  342.496   20.888   37.734   4.0774   39.185   5.8886   36.397   5.6513  348.723   29.610  336.269   29.469 12.45361 41.77558 
1 1 1   18   24    8 o  250.731   26.546   22.335   3.5891   26.860   5.0129   17.576   5.1410  285.520   30.786  215.943   43.254 69.57710 53.09172 
1 1 1   18   24   10 o  299.932   18.882   27.844   3.0392   25.544   3.6677   32.882   5.4293  286.136   22.477  313.728   30.346 -27.59204 37.76331 
1 1 1   18   24   12 o  101.335   32.143   2.8375   3.3414   4.5812   7.1972   2.3584   3.7726  110.239   50.541   92.432   39.727 17.80755 64.28584 
1 1 1   18   24   14 o  104.248   29.900   4.6837   2.7730   4.4362   3.8918   4.9389   3.9521  102.545   41.927  105.951   42.639 -3.406158 59.79960 
1 1 1   18   24   16 o   95.145   28.753   3.6328   2.6671   2.3066   3.3347   5.9871   4.4430   84.244   36.771  106.046   44.214 -21.80195 57.50618 
1 1 1   18   24   18 o   74.736   24.924   0.6549   2.2877   2.7076   4.9736   0.1041   2.5765   84.715   39.892   64.757   29.889 19.95831 49.84702 
1 1 1   18   25    1 o   73.133   24.796  -3.6528   2.9656  -2.8552   3.9183  -4.7225   4.5375   73.074   34.705   73.192   35.426 -0.1183548 49.59269 
1 1 1   18   25    3 o  143.405   31.666   8.0937   2.8673   8.7592   4.2277   7.5268   3.9019  148.118   45.587  138.692   43.965 9.426346 63.33294 
1 1 1   18   25    5 o  107.774   27.135   3.2252   2.5461  -1.4274   3.6703   7.5410   3.5349   75.443   35.114  140.106   41.380 -64.66268 54.27066 
1 1 1   18   25    7 o  138.124   30.938   7.7278   2.7434   6.7729   3.7810   8.7895   3.9867  129.322   43.429  146.927   44.074 -17.60510 61.87623 
1 1 1   18   25    9 o   95.527   27.953   2.7772   2.4338   2.1996   3.1193   3.6761   3.8911   89.043   37.079  102.010   41.841 -12.96636 55.90635 
1 1 1   18   25   11 o   73.012   22.082  -0.0749   1.8425  -3.0860   2.6135   2.9008   2.5981   54.948   26.664   91.077   35.206 -36.12933 44.16323 
1 1 1   18   25   13 o   85.067   29.198  -2.1583   4.1106   4.2027   6.7976  -5.8253   5.1612  100.569   47.128   69.566   34.482 31.00315 58.39581 
1 1 1   18   25   15 o   94.513   29.267   4.1388   3.0035   3.4759   4.1055   4.9021   4.4054   90.844   40.182   98.182   42.564 -7.337929 58.53437 
1 1 1   18   26    2 o  217.764   27.099   17.514   3.1824   23.558   4.5695   11.822   4.4346  265.383   30.193  170.145   45.009 95.23764 54.19755 
1 1 1   18   26    4 o  179.854   30.546   12.813   3.0802   14.123   4.6364   11.779   4.1211  187.148   44.154  172.559   42.222 14.58798 61.09287 
1 1 1   18   26    6 o  152.866   32.014   10.144   3.0189   9.0540   4.3753   11.135   4.1708  142.097   46.686  163.635   43.819 -21.53786 64.02901 
1 1 1   18   26    8 o   82.480   25.621   1.0186   2.4046   2.6966   3.3099  -0.8570   3.4992   91.672   38.186   73.288   34.169 18.38367 51.24190 
1 1 1   18   26   10 o   79.161   24.562   1.2891   2.1172   1.0772   3.2636   1.4431   2.7821   79.522   35.463   78.801   33.993 0.7203522 49.12352 
1 1 1   18   26   12 o  125.783   20.155   5.6753   2.3913   13.127   3.0698  -5.8234   3.8135  193.051   27.883   58.514   29.111 134.5369 40.31033 
1 1 1   18   26   14 o   97.399   32.241   5.8952   4.6457   2.6917   7.3920   7.9866   5.9726   89.395   43.702  105.402   47.414 -16.00651 64.48240 
1 1 1   18   27    1 o   70.057   24.231  -4.5675   3.1285  -3.4355   4.8874  -5.3533   4.0720   75.814   36.712   64.299   31.636 11.51517 48.46254 
1 1 1   18   27    3 o   73.932   24.029  -1.2774   2.4299  -4.2683   3.3689   1.9656   3.5080   60.068   29.394   87.796   38.021 -27.72802 48.05856 
1 1 1   18   27    5 o  120.769   30.748   6.5297   2.7381   5.1751   3.7705   8.0409   3.9826  109.327   42.369  132.211   44.571 -22.88378 61.49617 
1 1 1   18   27    7 o  124.501   29.122   6.8562   2.7198   10.529   3.8294   3.1169   3.8636  155.450   42.140   93.552   40.206 61.89748 58.24345 
1 1 1   18   27    9 o  111.977   27.239   5.5700   2.1131   5.1717   3.4633   5.8062   2.6672  105.873   40.724  118.082   36.186 -12.20887 54.47857 
1 1 1   18   27   11 o   62.476   21.438  -2.8144   2.3577  -4.6756   3.1763  -0.5307   3.5185   54.499   27.021   70.452   33.291 -15.95350 42.87621 
1 1 1   18   27   13 o  101.325   29.073   5.4272   2.7914   8.6458   4.0387   2.4835   3.8624  120.374   44.477   82.275   37.455 38.09893 58.14645 
1 1 1   18   28    0 o  133.061   45.697   11.350   5.7456   11.350   5.7456   11.350   5.7456  133.061   64.625  133.061   64.625 0.000000 0.000000 
1 1 1   18   28    2 o  152.586   40.475   15.257   4.7945   21.107   7.4699   11.158   6.2522  174.499   60.968  130.673   53.252 43.82562 80.94976 
1 1 1   18   28    4 o  105.386   29.676   4.8923   2.6886   7.1098   4.1184   3.2451   3.5494  118.442   44.682   92.330   39.067 26.11199 59.35264 
1 1 1   18   28    6 o   67.005   22.139  -2.1601   2.1848   2.2024   3.2725  -5.6685   2.9347   83.911   36.531   50.100   25.022 33.81081 44.27839 
1 1 1   18   28    8 o   96.585   27.309   4.2693   2.2767   4.3417   3.1111   4.1858   3.3407   97.515   38.290   95.654   38.947 1.861198 54.61713 
1 1 1   18   28   10 o   87.667   26.173   3.0097   2.3175   5.4186   3.4372   1.0018   3.1381  101.876   40.169   73.459   33.565 28.41726 52.34604 
1 1 1   18   29    1 o  100.796   31.802   1.1952   4.2649  -9.2934   5.7333   14.190   6.3816   65.287   32.924  136.304   54.418 -71.01668 63.60331 
1 1 1   18   29    3 o   78.429   27.338  -2.1311   4.2067  -1.6300   6.9873  -2.4161   5.2685   82.283   40.665   74.575   36.549 7.708115 54.67630 
1 1 1   18   29    5 o   65.254   22.125  -1.7427   2.2141  -3.2839   2.7719   0.9742   3.6803   53.798   26.396   76.709   35.517 -22.91082 44.25099 
1 1 1   18   29    7 o   84.820   25.836   2.1935   2.3277  -0.3195   3.0184   5.8809   3.6563   66.261   31.163  103.380   41.217 -37.11905 51.67193 
1 1 1   19    0    1 o  685.527   14.689  134.932   8.1045  134.932   8.1045  134.932   8.1045  685.527   20.774  685.527   20.774 -0.000000 0.000000 
1 1 1   19    0    3 o  329.568   37.125   33.963   9.1174   33.963   9.1174   33.963   9.1174  329.568   52.502  329.568   52.502 -0.000000 0.000000 
1 1 1   19    0    5 o  1992.44   25.562  1148.47   41.046  1148.47   41.046  1148.47   41.046  1992.44   36.150  1992.44   36.150 0.000000 0.000000 
1 1 1   19    0    7 o  757.928   12.191  164.597   7.4433  164.597   7.4433  164.597   7.4433  757.928   17.241  757.928   17.241 -0.000000 0.000000 
1 1 1   19    0   11 o  104.021   41.389   4.4748   5.2747   4.4748   5.2747   4.4748   5.2747  104.021   58.532  104.021   58.532 -0.000000 0.000000 
1 1 1   19    0   13 o  149.873   50.748   10.273   7.0580   10.273   7.0580   10.273   7.0580  149.873   71.769  149.873   71.769 0.000000 0.000000 
1 1 1   19    0   15 o   69.076   32.829  -1.6046   5.1926  -1.6046   5.1926  -1.6046   5.1926   69.076   46.427   69.076   46.427 -0.000000 0.000000 
1 1 1   19    0   17 o  127.871   50.235   7.9943   7.6505   7.9943   7.6505   7.9943   7.6505  127.871   71.042  127.871   71.042 0.000000 0.000000 
1 1 1   19    0   19 o   82.994   37.096   1.7476   5.3129   1.7476   5.3129   1.7476   5.3129   82.994   52.462   82.994   52.462 0.000000 0.000000 
1 1 1   19    0   23 o  160.184   37.966   10.672   4.3774   10.672   4.3774   10.672   4.3774  160.184   53.692  160.184   53.692 0.000000 0.000000 
1 1 1   19    0   25 o   45.393   22.711  -3.2753   3.4148  -3.2753   3.4148  -3.2753   3.4148   45.393   32.119   45.393   32.119 -0.000000 0.000000 
1 1 1   19    0   27 o   59.447   26.842   1.2387   2.8651   1.2387   2.8651   1.2387   2.8651   59.447   37.960   59.447   37.960 0.000000 0.000000 
1 1 1   19    1    0 o  685.699   13.633  134.871   7.5261  134.871   7.5261  134.871   7.5261  685.699   19.281  685.699   19.281 -0.000000 0.000000 
1 1 1   19    1    2 o  328.291   28.992   30.146   5.2689   38.890   8.8520   25.349   6.5568  362.824   42.781  293.758   39.139 69.06659 57.98368 
1 1 1   19    1    4 o  462.939   29.086   63.466   7.6401   69.701   10.717   57.022   10.895  487.081   38.580  438.796   43.539 48.28491 58.17244 
1 1 1   19    1    6 o  557.770   13.004   89.406   4.0950   89.714   5.4272   89.000   6.2400  559.174   17.019  556.366   19.667 2.807922 26.00816 
1 1 1   19    1    8 o  735.880   20.810  157.004   6.6639  156.693   7.3498  158.440   15.797  738.640   17.448  733.120   37.785 5.519470 41.61906 
1 1 1   19    1   10 o  197.987   43.861   10.808   4.8639   8.8865   5.5553   17.120   10.067  169.098   52.291  226.876   70.432 -57.77762 87.72162 
1 1 1   19    1   12 o  226.881   38.809   16.981   5.1381   23.017   7.2586   10.918   7.2742  269.603   49.016  184.159   60.182 85.44337 77.61736 
1 1 1   19    1   14 o  157.937   35.680   7.8203   3.7219   5.4447   5.2036   10.309   5.3257  138.512   50.595  177.362   50.323 -38.84932 71.35976 
1 1 1   19    1   16 o  378.294   24.205   42.280   4.8439   40.208   5.7977   47.070   8.8150  367.530   27.661  389.057   39.730 -21.52670 48.41070 
1 1 1   19    1   18 o  299.978   35.300   30.558   5.8939   32.403   8.2990   28.681   8.3719  313.293   46.450  286.663   53.168 26.63034 70.60046 
1 1 1   19    1   20 o  293.467   26.265   27.755   4.3901   27.628   6.0583   27.895   6.3706  293.630   36.179  293.303   38.086 0.3271790 52.53097 
1 1 1   19    1   22 o  108.543   31.981   2.3253   3.3303  -0.0884   4.3562   5.7202   5.1663   90.147   40.528  126.939   49.484 -36.79279 63.96219 
1 1 1   19    1   24 o  123.906   31.539   5.6768   2.9217   3.2570   3.8270   9.0576   4.5236  101.637   41.569  146.175   47.444 -44.53714 63.07823 
1 1 1   19    1   26 o   73.805   23.503  -0.7743   2.3910   2.4300   2.9575  -6.8209   4.0627   87.476   36.238   60.133   29.937 27.34312 47.00501 
1 1 1   19    1   28 o   85.838   26.186   2.7875   2.4030   4.2784   3.3463   1.2002   3.4528   94.957   38.858   76.718   35.112 18.23877 52.37126 
1 1 1   19    2    1 o  497.002   24.153   71.893   6.5355   72.589   11.032   71.517   8.1123  497.190   38.907  496.813   28.632 0.3773193 48.30692 
1 1 1   19    2    3 o  802.071   21.452  188.225   9.2857  182.389   15.799  191.305   11.477  790.049   35.065  814.093   24.722 -24.04407 42.90355 
1 1 1   19    2    5 o  1101.99   20.601  357.388   12.254  368.714   15.213  336.465   20.677  1130.53   23.596  1073.45   33.777 57.07971 41.20275 
1 1 1   19    2    7 o  526.930   14.288   79.007   4.0965   76.990   5.0539   82.870   6.9949  517.914   17.111  535.946   22.886 -18.03217 28.57522 
1 1 1   19    2    9 o  669.489   18.813  129.970   7.1738  125.972   9.8504  134.486   10.468  658.720   26.222  680.258   26.984 -21.53790 37.62587 
1 1 1   19    2   11 o  257.565   40.336   24.197   5.1449   26.923   5.8646   15.092   10.719  301.655   34.091  213.476   73.115 88.17912 80.67245 
1 1 1   19    2   13 o  308.825   26.320   29.218   3.6948   29.595   4.1544   27.789   8.0818  318.806   22.850  298.845   47.421 19.96100 52.63926 
1 1 1   19    2   15 o  402.390   25.417   51.410   5.5060   39.983   8.6696   59.134   7.1280  358.275   42.432  446.505   27.993 -88.22977 50.83350 
1 1 1   19    2   17 f  552.391   23.297   93.699   7.2717  106.565   10.234   80.581   10.334  593.819   30.221  510.963   35.464 82.85651 46.59377 
1 1 1   19    2   19 o  203.016   31.752   14.197   3.5969   11.591   5.1082   16.758   5.0657  181.133   48.490  224.898   41.008 -43.76569 63.50486 
1 1 1   19    2   23 o  121.302   30.798   5.3337   2.7915   3.5487   3.9151   7.1793   3.9812  106.352   42.566  136.252   44.522 -29.90070 61.59661 
1 1 1   19    2   25 f  133.189   34.365   7.6333   3.5818   13.069   5.5425   3.7353   4.6936  162.929   52.479  103.449   44.383 59.48012 68.73025 
1 1 1   19    2   27 f  107.056   29.285   5.5035   2.5946   6.1774   3.3927   4.5542   4.0268  114.576   40.989   99.537   41.836 15.03976 58.56922 
1 1 1   19    3    0 o  566.973   26.889   94.187   12.168   94.187   12.168   94.187   12.168  566.973   38.026  566.973   38.026 0.000000 0.000000 
1 1 1   19    3    2 o  267.902   28.039   21.066   4.2673   18.645   5.8963   23.730   6.1837  251.461   41.116  284.343   38.134 -32.88216 56.07813 
1 1 1   19    3    4 o  957.919   22.477  264.404   12.279  264.404   12.279   0.0000   0.0000  957.919   22.477  ?   ?       ?      ? 
1 1 1   19    3    6 o  552.070   22.620   87.886   7.1215   87.886   7.1215   0.0000   0.0000  552.070   22.620  ?   ?       ?      ? 
1 1 1   19    3    8 o  414.586   28.690   53.098   6.0230   56.058   7.1815   46.080   11.059  438.937   28.689  390.236   49.693 48.70056 57.37982 
1 1 1   19    3   10 o  606.296   17.671  106.594   5.6926  107.283   10.083  106.272   6.8970  605.703   29.189  606.890   19.928 -1.187073 35.34287 
1 1 1   19    3   12 o  670.934   18.531  131.394   7.0705  145.574   10.217  118.364   9.7943  706.130   25.372  635.737   27.015 70.39313 37.06158 
1 1 1   19    3   14 o  527.914   23.026   83.396   6.9314   83.470   9.7336   83.320   9.8728  528.348   32.304  527.480   32.820 0.8686523 46.05125 
1 1 1   19    3   16 o  505.365   20.998   77.200   5.7323   78.595   7.1102   74.611   9.6892  516.175   24.154  494.555   34.354 21.62042 41.99565 
1 1 1   19    3   18 o  463.630   21.662   68.382   5.0302   58.969   9.3160   72.256   5.9763  432.139   37.802  495.122   21.165 -62.98288 43.32381 
1 1 1   19    3   20 o  149.309   40.513   8.0644   5.5255  -2.4876   10.421   12.191   6.5169  122.387   57.666  176.230   56.920 -53.84209 81.02634 
1 1 1   19    3   22 o  125.440   44.267   5.6777   3.9443   0.0000   0.0000   5.6777   3.9443  ?   ?   125.440   44.267      ?      ? 
1 1 1   19    3   24 o  106.674   31.194   3.6404   3.0594   5.4212   4.7689   2.3948   3.9884  116.997   46.925   96.350   41.113 20.64738 62.38802 
1 1 1   19    3   26 o  108.269   30.251   5.3041   2.8751   6.3307   3.5874   3.4605   4.8075  118.675   42.181   97.863   43.375 20.81219 60.50287 
1 1 1   19    3   28 o   99.691   29.175   4.6199   2.5036   3.2240   2.9840   7.9390   4.6013   87.210   36.287  112.172   45.695 -24.96188 58.35035 
1 1 1   19    4    1 f  194.099   25.694   11.817   2.6864   14.339   3.5470   8.4237   4.1140  222.481   27.956  165.716   43.118 56.76512 51.38805 
1 1 1   19    4    3 o  547.195   22.719   89.175   6.1100   91.243   7.0917   83.220   12.036  562.820   22.095  531.571   39.704 31.24933 45.43732 
1 1 1   19    4    5 o  864.506   24.804  215.965   12.229  215.965   12.229   0.0000   0.0000  864.506   24.804  ?   ?       ?      ? 
1 1 1   19    4    7 f  756.792   22.173  167.324   8.9003  167.700   10.785  166.521   15.760  761.341   24.839  752.243   36.738 9.098206 44.34699 
1 1 1   19    4    9 o  366.417   32.750   41.024   6.3835   41.900   7.8134   39.265   11.070  376.361   36.403  356.473   54.453 19.88797 65.50061 
1 1 1   19    4   11 o  461.937   15.606   59.190   3.9267   53.477   4.7905   70.889   6.8550  430.260   19.523  493.613   24.351 -63.35352 31.21150 
1 1 1   19    4   13 o  647.270   25.786  127.424   8.6013  129.229   10.254  123.138   15.801  662.860   27.124  631.680   43.863 31.18005 51.57210 
1 1 1   19    4   15 o  130.846   37.337   3.2855   4.1571   6.2060   6.9853   1.6839   5.1729  148.682   57.656  113.011   47.455 35.67061 74.67352 
1 1 1   19    4   17 o  124.053   34.536   2.8487   4.1871  -6.0642   7.1714   7.4584   5.1574   98.673   46.889  149.433   50.719 -50.75990 69.07272 
1 1 1   19    4   19 o  268.719   21.268   22.153   3.2474   24.833   4.7121   19.729   4.4816  284.842   29.008  252.596   31.111 32.24634 42.53612 
1 1 1   19    4   23 o   96.531   29.517   1.8079   2.9577   2.5417   4.4852   1.2433   3.9343  101.725   43.507   91.338   39.902 10.38630 59.03422 
1 1 1   19    4   25 o  118.391   35.819   5.7797   3.7708   10.881   7.7272   4.1851   4.3201  132.247   56.848  104.534   43.592 27.71215 71.63813 
1 1 1   19    4   27 o   81.596   27.061   0.2596   3.2359  -2.5519   4.5081   3.2478   4.6475   71.335   34.708   91.857   41.526 -20.52241 54.12103 
1 1 1   19    5    0 o  183.655   40.669   12.322   5.2859   12.322   5.2859   12.322   5.2859  183.655   57.514  183.655   57.514 -0.000000 0.000000 
1 1 1   19    5    2 o  485.700   25.144   70.320   6.6080   73.449   8.2611   64.760   11.010  503.152   28.790  468.248   41.232 34.90442 50.28891 
1 1 1   19    5    4 o  664.483   16.917  129.094   6.2443  119.658   9.8161  135.507   8.0928  642.792   26.778  686.173   20.681 -43.38074 33.83411 
1 1 1   19    5    6 o  134.801   52.821   3.6932   5.9098   3.6932   5.9098   0.0000   0.0000  134.801   52.821  ?   ?       ?      ? 
1 1 1   19    5    8 o  500.200   16.406   72.539   4.6692   68.044   6.6734   76.850   6.5353  484.688   24.143  515.713   22.221 -31.02475 32.81245 
1 1 1   19    5   10 o  234.781   36.105   15.468   3.3376   14.814   3.5622   20.172   9.5502  225.137   27.744  244.426   66.668 -19.28925 72.21090 
1 1 1   19    5   12 o  112.028   35.734  -0.8326   3.5075  -1.1327   3.8101   0.8351   8.9816   85.772   38.278  138.285   60.353 -52.51311 71.46796 
1 1 1   19    5   14 o  194.517   36.688   14.989   4.7529   18.906   5.3125  -0.7249   10.639  248.969   37.416  140.065   63.119 108.9046 73.37549 
1 1 1   19    5   16 o  557.049   16.228   91.189   5.1246   93.456   7.7135   89.398   6.8565  562.352   24.052  551.747   21.791 10.60486 32.45502 
1 1 1   19    5   18 o  360.262   25.167   39.974   4.7742   42.742   8.6451   38.759   5.7267  362.857   41.777  357.668   28.076 5.189056 50.33499 
1 1 1   19    5   20 o  160.419   47.993   10.483   7.5704   8.4571   10.356   12.809   11.095  152.244   65.629  168.593   70.044 -16.34891 95.98612 
1 1 1   19    5   22 f  112.601   26.998   3.7987   2.7871   7.8668   3.3555  -5.2522   5.0051  148.287   39.115   76.915   37.222 71.37223 53.99541 
1 1 1   19    5   24 o   93.857   28.693   2.1150   2.7893   1.9762   3.6698   2.3048   4.2922   91.398   39.230   96.316   41.884 -4.918205 57.38659 
1 1 1   19    5   26 o   79.323   25.057  -0.6663   2.0644  -2.6470   2.3931   5.0949   4.0815   53.045   25.687  105.601   43.029 -52.55646 50.11321 
1 1 1   19    5   28 o   77.846   26.591   0.6465   3.0924  -1.4812   7.8654   1.0356   3.3633   81.356   40.682   74.336   34.254 7.019691 53.18181 
1 1 1   19    6    1 f  1361.96   15.447  532.099   11.799  522.174   15.288  546.714   18.553  1347.50   19.895  1376.41   23.636 -28.90601 30.89428 
1 1 1   19    6    3 o  627.936   19.740  113.470   5.2711  113.022   5.7746  115.711   12.907  627.779   16.129  628.092   36.034 -0.3133545 39.47924 
1 1 1   19    6    5 o  639.581   34.381  119.849   12.540  119.849   12.540   0.0000   0.0000  639.581   34.381  ?   ?       ?      ? 
1 1 1   19    6    7 o  434.477   22.470   50.530   4.5530   47.344   5.0665   63.902   10.379  404.904   21.941  464.049   39.219 -59.14566 44.93904 
1 1 1   19    6    9 o  328.732   30.371   34.552   3.7672   35.278   4.0902   30.490   9.6726  349.448   20.524  308.017   57.170 41.43069 60.74230 
1 1 1   19    6   11 o  252.534   29.546   19.972   4.0493   21.793   5.3618   17.554   6.1777  270.333   34.779  234.734   47.773 35.59911 59.09165 
1 1 1   19    6   13 f  479.761   30.483   77.919   6.1914   60.143   13.808   82.392   6.9267  428.426   56.515  531.095   22.870 -102.6687 60.96691 
1 1 1   19    6   15 f  297.280   26.906   24.508   4.2734   36.336   7.9369   19.679   5.0712  340.783   40.839  253.777   35.040 87.00575 53.81122 
1 1 1   19    6   17 o  167.229   38.907   9.1640   3.9255   8.0423   4.5797   12.270   7.6210  153.621   47.474  180.837   61.653 -27.21661 77.81319 
1 1 1   19    6   19 o  139.676   43.289   2.0012   7.0676  -6.9490   9.7506   11.909   10.259  110.159   52.970  169.193   68.484 -59.03419 86.57889 
1 1 1   19    6   23 o  166.856   31.742   10.814   3.0972   8.6428   4.0929   13.723   4.7379  146.717   44.803  186.995   44.978 -40.27867 63.48488 
1 1 1   19    6   25 o   73.637   23.729  -0.2400   1.8520  -0.9623   2.1212   2.0761   3.7985   57.842   26.846   89.433   39.134 -31.59093 47.45711 
1 1 1   19    6   27 o   81.831   24.714   1.8052   2.3577   4.1907   2.8823  -3.0186   4.0987   97.075   37.196   66.586   32.549 30.48869 49.42705 
1 1 1   19    7    0 o  105.789   40.249   4.7483   4.7499   4.7483   4.7499   4.7483   4.7499  105.789   56.921  105.789   56.921 0.000000 0.000000 
1 1 1   19    7    2 o  1007.13   15.337  291.441   8.6752  287.456   11.291  297.184   13.553  999.633   19.806  1014.63   23.423 -14.99988 30.67478 
1 1 1   19    7    4 o  130.420   31.137   3.7064   3.1986  -1.3148   4.5802   8.4864   4.4689   95.081   42.230  165.759   45.768 -70.67802 62.27439 
1 1 1   19    7    6 o  456.587   28.878   60.757   7.5194   60.757   7.5194   0.0000   0.0000  456.587   28.878  ?   ?       ?      ? 
1 1 1   19    7    8 o  483.570   22.177   67.454   4.4114   66.906   4.7931   70.490   11.280  482.156   17.432  484.983   40.785 -2.827515 44.35396 
1 1 1   19    7   10 o  153.717   35.926   3.5293   3.1171   1.2300   3.4174   14.917   7.6052   95.916   39.261  211.519   60.178 -115.6033 71.85236 
1 1 1   19    7   12 o  331.622   36.523   37.805   5.0864   39.569   5.7075   30.999   11.213  366.513   27.306  296.732   67.749 69.78085 73.04507 
1 1 1   19    7   14 o  364.398   31.377   39.911   6.5205   39.911   6.5205   0.0000   0.0000  364.398   31.377  ?   ?       ?      ? 
1 1 1   19    7   16 o  234.394   39.532   16.060   3.8666   14.719   4.1431   25.114   10.764  219.105   33.157  249.682   71.776 -30.57672 79.06417 
1 1 1   19    7   18 o  228.842   35.089   17.362   4.0924   15.727   4.8165   21.606   7.7603  217.915   40.240  239.769   57.496 -21.85437 70.17866 
1 1 1   19    7   20 o  114.300   36.048   1.7686   3.0890   1.3132   3.2615   5.7342   9.6245   89.754   37.684  138.846   61.464 -49.09230 72.09644 
1 1 1   19    7   22 o  107.246   30.946   3.5660   2.9235   4.3263   3.3827   1.3221   5.8115  111.290   40.772  103.203   46.565 8.087402 61.89229 
1 1 1   19    7   24 o   79.543   24.091  -0.2108   1.8911  -2.0633   2.2624   4.0850   3.4451   54.868   26.147  104.217   40.469 -49.34882 48.18111 
1 1 1   19    7   26 o  120.689   28.565   6.7227   2.4679   8.8407   3.4212   4.4251   3.5633  141.456   40.402   99.923   40.391 41.53382 57.12939 
1 1 1   19    8    1 o  929.263   16.902  249.653   8.9544  245.151   12.741  254.047   12.587  920.793   24.264  937.734   23.537 -16.94019 33.80407 
1 1 1   19    8    3 o  700.964   14.929  141.740   5.6760  141.926   7.0231  141.391   9.6382  702.823   17.522  699.105   24.175 3.717957 29.85707 
1 1 1   19    8    5 o  527.159   25.710   82.036   7.7197   83.058   11.225   81.120   10.634  529.870   37.147  524.447   35.554 5.423279 51.41970 
1 1 1   19    8    7 o  399.210   25.969   54.417   3.5073   56.616   3.7420   38.522   10.061  444.106   14.775  354.315   49.793 89.79025 51.93884 
1 1 1   19    8    9 o  220.394   35.954   13.824   3.8945   12.074   4.4333   19.737   8.1507  196.818   40.836  243.970   59.187 -47.15242 71.90719 
1 1 1   19    8   11 o  108.993   34.876  -3.4728   4.7592  -7.4501   6.4605   1.2466   7.0375   91.566   43.787  126.419   54.295 -34.85226 69.75156 
1 1 1   19    8   13 o  268.616   42.893   25.000   6.1876   24.609   7.6619   25.733   10.492  272.788   51.130  264.444   68.885 8.344238 85.78653 
1 1 1   19    8   15 o  162.476   48.717   8.9385   4.8717   8.9385   4.8717   0.0000   0.0000  162.476   48.717  ?   ?       ?      ? 
1 1 1   19    8   17 o  159.932   41.967   7.0326   3.9993   5.5299   4.3663   14.861   9.9657  130.972   46.537  188.891   69.852 -57.91875 83.93404 
1 1 1   19    8   19 o  141.296   39.923   3.6762   3.6026   1.6917   3.8884   15.708   9.5743   98.046   41.155  184.546   68.422 -86.49943 79.84573 
1 1 1   19    8   21 o  148.111   41.315   4.0771   2.4324   3.1666   2.4879   23.819   11.585   99.281   35.144  196.941   74.785 -97.66069 82.63097 
1 1 1   19    8   23 o  209.904   26.143   15.162   2.8801   13.750   3.4920   18.167   5.0937  202.898   30.179  216.909   42.698 -14.01132 52.28600 
1 1 1   19    8   25 o  118.876   29.974   4.5004   2.3637   2.1456   2.7115   11.955   4.8244   83.707   34.690  154.044   48.892 -70.33660 59.94870 
1 1 1   19    8   27 o   84.063   28.550   1.0577   2.0523   0.3977   2.1273   9.9298   7.7995   63.339   28.410  104.786   49.529 -41.44668 57.09918 
1 1 1   19    9    0 o   60.184   28.770  -1.8319   4.0987  -1.8319   4.0987  -1.8319   4.0987   60.184   40.686   60.184   40.686 0.000000 0.000000 
1 1 1   19    9    2 o  1081.55   16.647  338.476   10.266  346.453   14.544  330.555   14.493  1094.41   23.303  1068.69   23.780 25.71887 33.29440 
1 1 1   19    9    4 o  350.341   21.094   35.900   4.2119   34.819   5.9924   36.956   5.9214  344.940   30.462  355.741   29.188 -10.80093 42.18858 
1 1 1   19    9    6 o  311.605   43.740   33.055   7.4112   23.851   11.480   39.632   9.7047  262.782   73.646  360.429   47.214 -97.64658 87.48065 
1 1 1   19    9    8 o  787.357   20.305  179.967   8.0334  177.720   9.3488  186.308   15.707  783.359   20.927  791.356   34.803 -7.996887 40.61019 
1 1 1   19    9   10 o  436.355   23.937   58.688   4.5314   59.786   5.0297   53.955   10.442  454.297   19.414  418.414   43.762 35.88379 47.87442 
1 1 1   19    9   12 o  262.160   35.271   27.981   3.9308   31.468   4.3846   13.699   8.8724  327.661   23.464  196.658   66.525 131.0032 70.54213 
1 1 1   19    9   14 o  389.105   16.436   42.534   3.5380   36.516   4.3978   53.574   5.9566  352.652   21.867  425.558   24.544 -72.90607 32.87259 
1 1 1   19    9   16 o  134.048   44.526   5.8958   3.9759   5.8958   3.9759   0.0000   0.0000  134.048   44.526  ?   ?       ?      ? 
1 1 1   19    9   18 o  196.110   41.695   12.919   4.1659   11.259   4.5940   20.602   9.8826  178.870   45.059  213.351   70.168 -34.48065 83.38950 
1 1 1   19    9   20 o   78.961   27.568  -3.6329   2.9017  -2.7573   3.0852 -10.3425   8.5403   65.230   30.926   92.692   45.647 -27.46223 55.13663 
1 1 1   19    9   22 o  114.771   33.470   4.8434   3.3347   5.8288   3.4914  -5.4066   11.260  123.291   41.731  106.251   52.341 17.04062 66.94072 
1 1 1   19    9   24 o  118.094   29.272   6.1887   3.0927   9.5233   3.7384  -1.0427   5.5052  150.521   41.972   85.667   40.814 64.85384 58.54428 
1 1 1   19    9   26 o   90.934   29.868   3.0792   3.6778   3.3308   4.5513   2.6057   6.2435   91.099   41.147   90.769   43.306 0.3305054 59.73636 
1 1 1   19   10    1 o  264.365   27.229   21.860   3.7381   13.101   5.2746   30.698   5.2984  204.442   46.314  324.287   28.650 -119.8446 54.45887 
1 1 1   19   10    3 o   94.521   29.192  -0.7024   3.0350  -2.7236   4.5760   0.8850   4.0553   88.226   40.394  100.817   42.155 -12.59081 58.38409 
1 1 1   19   10    5 o  512.036   26.579   78.161   7.7592   76.394   10.817   80.034   11.136  506.146   37.476  517.927   37.702 -11.78061 53.15895 
1 1 1   19   10    7 o  297.393   21.602   27.549   3.3595   30.621   4.1660   21.837   5.6809  324.703   22.498  270.083   36.883 54.62018 43.20315 
1 1 1   19   10    9 o  231.868   20.758   15.857   2.7235   15.638   3.6231   16.142   4.1296  230.513   27.561  233.223   31.048 -2.710129 41.51626 
1 1 1   19   10   11 o  286.374   36.588   27.262   5.7171   30.237   7.6436   23.484   8.6134  311.554   43.020  261.194   59.194 50.35956 73.17544 
1 1 1   19   10   13 o  352.853   26.130   30.489   4.0969   26.425   4.4487   53.179   10.512  298.322   26.149  407.385   45.247 -109.0634 52.25948 
1 1 1   19   10   15 o  160.861   39.827   6.2665   3.2007   5.0554   3.4072   15.358   9.3356  125.703   41.194  196.020   68.176 -70.31747 79.65491 
1 1 1   19   10   17 o  176.432   47.105   11.047   4.8285   11.047   4.8285   0.0000   0.0000  176.432   47.105  ?   ?       ?      ? 
1 1 1   19   10   19 o   96.214   32.731  -0.7221   2.4285  -0.8791   2.5078   1.6440   9.7357   66.861   30.338  125.568   58.007 -58.70744 65.46181 
1 1 1   19   10   21 o  167.126   40.243   10.257   3.7897   10.257   3.7897   0.0000   0.0000  167.126   40.243  ?   ?       ?      ? 
1 1 1   19   10   23 o  160.592   35.769   11.704   3.2681   14.845   8.1844   11.108   3.5647  149.575   60.938  171.608   37.474 -22.03310 71.53860 
1 1 1   19   10   25 o  116.039   32.295   6.6943   3.2348   10.716   4.9472   3.6906   4.2754  137.002   49.441   95.077   41.564 41.92421 64.59053 
1 1 1   19   11    0 o  113.434   39.441   5.6554   4.3021   5.6554   4.3021   5.6554   4.3021  113.434   55.777  113.434   55.777 -0.000000 0.000000 
1 1 1   19   11    2 o  454.977   18.745   60.388   4.8624   58.672   6.8675   62.113   6.8854  448.359   26.858  461.595   26.156 -13.23639 37.49032 
1 1 1   19   11    4 o  176.286   30.782   9.8747   3.1695   13.108   4.4471   6.5374   4.5185  206.023   39.284  146.548   47.402 59.47517 61.56487 
1 1 1   19   11    6 o  256.841   36.783   22.165   5.2013   27.578   6.9145   15.110   7.8941  301.857   40.167  211.825   61.632 90.03185 73.56538 
1 1 1   19   11    8 o  570.335   17.845   95.311   5.8025   96.169   8.1380   94.423   8.2757  573.149   24.898  567.520   25.570 5.629700 35.68927 
1 1 1   19   11   10 o  471.341   23.490   67.275   5.5967   67.858   6.5818   65.751   10.635  480.955   23.996  461.727   40.390 19.22720 46.98026 
1 1 1   19   11   12 o  354.422   17.795   37.465   3.5556   34.723   5.3185   39.680   4.7812  341.460   27.312  367.384   22.820 -25.92410 35.59090 
1 1 1   19   11   14 o  105.827   34.118   0.6203   2.7656   0.8080   2.8875  -1.4633   9.6204   84.803   35.524  126.851   58.259 -42.04720 68.23530 
1 1 1   19   11   16 o  309.437   39.317   34.101   4.7443   33.903   5.1583   35.187   12.086  334.257   27.060  284.616   73.831 49.64087 78.63371 
1 1 1   19   11   18 o  168.083   45.013   10.218   4.4011   10.218   4.4011   0.0000   0.0000  168.083   45.013  ?   ?       ?      ? 
1 1 1   19   11   20 o  149.924   66.964   12.354   11.686   12.354   11.686   0.0000   0.0000  149.924   66.964  ?   ?       ?      ? 
1 1 1   19   11   22 f  262.812   26.213   23.729   3.6736   29.021   6.6375   21.392   4.4108  274.112   42.460  251.511   30.751 22.60121 52.42609 
1 1 1   19   11   24 o   97.780   31.533   3.4299   3.8731   3.9517   5.8042   3.0111   5.2001  100.035   45.685   95.526   43.476 4.509361 63.06549 
1 1 1   19   11   26 f   86.014   30.149  -1.8877   4.5029   12.015   8.1721  -7.9489   5.3959  108.193   51.005   63.835   32.160 44.35778 60.29727 
1 1 1   19   12    1 o  190.469   30.318   11.413   3.2145   11.868   4.5380   10.955   4.5541  194.600   42.113  186.338   43.625 8.262039 60.63572 
1 1 1   19   12    3 o  338.699   28.171   38.602   4.6421   24.245   7.6008   47.143   5.8624  275.679   50.195  401.719   25.590 -126.0396 56.34186 
1 1 1   19   12    5 o  259.366   34.541   21.184   4.9957   18.631   6.8266   24.127   7.3301  239.495   51.512  279.237   46.030 -39.74197 69.08118 
1 1 1   19   12    7 o  113.236   30.434   2.6048   2.7601   0.8484   3.6134   5.0649   4.2765   94.752   39.718  131.720   46.124 -36.96740 60.86836 
1 1 1   19   12    9 o  192.504   30.260   11.530   3.2132   9.2195   4.1658   14.923   5.0487  168.884   43.108  216.124   42.477 -47.24014 60.51911 
1 1 1   19   12   11 o  271.180   32.630   24.539   4.4321   25.697   5.3419   21.983   7.9396  291.350   32.151  251.010   56.791 40.34042 65.26020 
1 1 1   19   12   13 o  114.221   31.613   3.4158   2.6374   4.0008   2.8876   0.4723   6.4775  113.934   37.951  114.507   50.570 -0.5738678 63.22639 
1 1 1   19   12   15 o  252.824   39.247   20.390   4.0390   19.166   4.3406   28.290   11.028  249.536   30.502  256.112   72.326 -6.576569 78.49419 
1 1 1   19   12   17 o  118.046   36.720   2.0449   2.6203   1.6290   2.7133   7.8025   10.096   87.638   35.308  148.454   64.395 -60.81627 73.44012 
1 1 1   19   12   19 o  100.358   47.956  -3.4701   7.7198  -3.4701   7.7198   0.0000   0.0000  100.358   47.956  ?   ?       ?      ? 
1 1 1   19   12   21 o   87.254   42.949  -6.9664   7.5316  -6.9664   7.5316   0.0000   0.0000   87.254   42.949  ?   ?       ?      ? 
1 1 1   19   12   23 o   76.456   26.190  -4.8175   3.7795 -13.1400   5.8855   1.0230   4.9304   64.173   32.480   88.738   41.094 -24.56523 52.38012 
1 1 1   19   12   25 o  100.937   33.935   5.8918   5.0380   12.648   8.3712   2.0549   6.3083  113.567   52.916   88.307   42.499 25.25989 67.86923 
1 1 1   19   13    0 o  409.455   19.129   49.119   6.2537   49.119   6.2537   49.119   6.2537  409.455   27.053  409.455   27.053 0.000000 0.000000 
1 1 1   19   13    2 o  231.994   25.540   16.360   3.2910   14.591   4.6121   18.195   4.6974  216.943   38.698  247.045   33.342 -30.10149 51.08047 
1 1 1   19   13    4 o  303.285   24.609   27.775   4.1431   26.738   6.5775   28.457   5.3344  296.695   38.874  309.874   30.186 -13.17896 49.21769 
1 1 1   19   13    6 o  208.181   37.977   14.851   4.7618   9.2152   6.9560   19.822   6.5324  168.920   58.844  247.441   48.024 -78.52158 75.95345 
1 1 1   19   13    8 o  193.547   30.655   12.284   3.2883   10.732   4.9727   13.489   4.3836  180.206   47.656  206.888   38.573 -26.68250 61.31075 
1 1 1   19   13   10 o  292.873   34.047   27.973   5.4681   22.065   7.4684   34.799   8.0280  254.051   53.251  331.694   42.440 -77.64342 68.09422 
1 1 1   19   13   12 o  257.413   30.964   21.762   3.6626   21.892   4.1814   21.334   7.5922  270.133   27.142  244.693   55.662 25.43973 61.92716 
1 1 1   19   13   14 o  207.291   32.312   14.179   2.9668   13.938   3.2592   15.345   7.1666  214.773   26.610  199.809   58.892 14.96326 64.62498 
1 1 1   19   13   16 o  122.686   37.804   2.3194   3.4084   1.4936   3.6376   8.2615   9.7573   94.748   39.790  150.623   64.290 -55.87499 75.60711 
1 1 1   19   13   18 o  103.300   33.044   0.5715   4.0512   1.9007   6.5476  -0.2529   5.1568  111.498   49.939   95.101   43.287 16.39700 66.08874 
1 1 1   19   13   20 o  196.720   57.471   18.381   6.8517   18.381   6.8517   0.0000   0.0000  196.720   57.471  ?   ?       ?      ? 
1 1 1   19   13   22 o  119.004   33.458   4.0487   3.4564   14.100   6.2121  -0.4582   4.1598  158.054   55.577   79.953   37.270 78.10188 66.91683 
1 1 1   19   13   24 o   86.247   29.025   0.1398   4.3525 -11.3596   8.2681   4.5482   5.1193   74.964   38.003   97.529   43.883 -22.56506 58.05072 
1 1 1   19   14    1 o  138.460   27.307   5.1108   2.7791  -0.7739   3.9099   11.120   3.9509   88.439   39.161  188.480   38.067 -100.0412 54.61436 
1 1 1   19   14    3 f  423.383   18.439   52.756   4.4514   51.603   6.2887   53.913   6.3018  418.615   26.342  428.151   25.809 -9.536224 36.87853 
1 1 1   19   14    5 o  439.545   28.203   59.264   7.0472   62.320   10.475   56.736   9.5250  449.015   40.908  430.075   38.835 18.93997 56.40595 
1 1 1   19   14    7 o  256.585   20.511   19.409   2.8927   18.767   3.6137   20.555   4.8264  252.171   25.128  260.999   32.426 -8.827667 41.02266 
1 1 1   19   14    9 o  539.930   18.333   86.530   5.6417   90.381   8.1228   82.940   7.8419  551.616   25.821  528.245   26.031 23.37018 36.66528 
1 1 1   19   14   11 o  265.278   36.011   24.943   5.2411   33.746   7.3045   15.602   7.5244  326.441   39.237  204.115   60.396 122.3257 72.02250 
1 1 1   19   14   13 o  247.939   30.444   18.573   3.8972   15.687   4.5967   25.949   7.3492  222.555   36.217  273.323   48.947 -50.76750 60.88882 
1 1 1   19   14   15 o  124.275   33.954   4.8345   3.2053   5.0529   3.7206   4.2057   6.3129  123.104   43.027  125.447   52.537 -2.343628 67.90724 
1 1 1   19   14   17 o  151.533   39.957   9.3619   4.2293   9.3252   4.6759   9.5266   9.9170  155.464   47.958  147.602   63.924 7.862625 79.91414 
1 1 1   19   14   19 o   82.402   40.676  -8.4693   6.9211  -8.4693   6.9211   0.0000   0.0000   82.402   40.676  ?   ?       ?      ? 
1 1 1   19   14   21 o  107.286   48.027   4.2788   6.0474   4.2788   6.0474   0.0000   0.0000  107.286   48.027  ?   ?       ?      ? 
1 1 1   19   14   23 o   78.503   27.526  -3.8058   4.3251  -5.0931   8.0567  -3.2845   5.1265   83.023   41.464   73.982   36.215 9.041214 55.05241 
1 1 1   19   15    0 o  619.793   16.974  111.629   8.4558  111.629   8.4558  111.629   8.4558  619.793   24.005  619.793   24.005 0.000000 0.000000 
1 1 1   19   15    2 o  422.260   18.832   52.756   4.5295   53.690   6.2909   51.751   6.5269  426.572   25.860  417.948   27.384 8.624298 37.66426 
1 1 1   19   15    4 o  250.103   34.780   19.578   4.8161   13.709   6.2160   28.391   7.6179  200.483   53.408  299.723   44.568 -99.24004 69.56081 
1 1 1   19   15    6 o  261.571   25.727   21.036   3.8289   21.125   5.2541   20.936   5.5915  262.837   35.053  260.305   37.666 2.532043 51.45323 
1 1 1   19   15    8 o  313.863   21.963   29.880   3.9271   28.519   5.5689   31.225   5.5388  306.250   31.886  321.476   30.212 -15.22586 43.92564 
1 1 1   19   15   10 o  382.328   32.067   48.756   6.8118   42.070   10.258   54.029   9.1103  351.599   51.160  413.058   38.675 -61.45917 64.13322 
1 1 1   19   15   12 o  200.939   28.620   13.406   3.1651   11.911   4.3805   15.040   4.5784  187.907   41.940  213.973   38.955 -26.06583 57.24060 
1 1 1   19   15   14 o  104.902   30.976   2.3071   2.5763   2.3189   2.8479   2.2541   6.0451   94.946   36.815  114.858   49.826 -19.91205 61.95177 
1 1 1   19   15   16 o  245.108   18.838   18.862   2.5750   17.500   3.9762   19.847   3.3793  234.968   29.673  255.248   23.215 -20.27965 37.67546 
1 1 1   19   15   18 o  114.293   37.014   2.9683   5.1715   3.1684   6.1516   2.4861   9.5497  110.772   49.082  117.814   55.417 -7.042191 74.02747 
1 1 1   19   15   20 o  141.962   61.352   14.117   9.0960   14.117   9.0960   0.0000   0.0000  141.962   61.352  ?   ?       ?      ? 
1 1 1   19   15   22 o   89.894   28.685   2.1395   3.2780  -1.2774   5.4276   4.1014   4.1127   81.364   39.224   98.423   41.867 -17.05878 57.37064 
1 1 1   19   15   24 o  139.411   35.256   14.468   4.5219   5.3938   6.6922   22.091   6.1341   93.801   44.775  185.021   54.471 -91.21980 70.51210 
1 1 1   19   16    1 o  685.830   17.075  138.615   6.6770  142.153   9.5427  135.221   9.3459  694.448   24.096  677.210   24.199 17.23810 34.14971 
1 1 1   19   16    3 o  858.945   16.568  217.313   8.1118  226.073   11.522  208.706   11.422  876.548   23.050  841.341   23.805 35.20697 33.13597 
1 1 1   19   16    5 o  486.082   24.536   72.330   6.7873   66.283   9.3580   79.042   9.8589  464.038   35.362  508.126   34.022 -44.08817 49.07133 
1 1 1   19   16    7 o  187.823   32.902   11.918   3.4749   11.779   4.5575   12.111   5.3704  188.321   43.336  187.326   49.519 0.9949493 65.80370 
1 1 1   19   16    9 o  321.678   22.036   31.748   4.0363   30.089   5.7387   33.371   5.6782  312.607   32.190  330.749   30.104 -18.14243 44.07299 
1 1 1   19   16   11 o  150.811   41.229   7.3990   5.0744   11.589   7.8276   4.3620   6.6645  171.444   62.141  130.178   54.202 41.26666 82.45831 
1 1 1   19   16   13 o  158.583   30.179   8.6890   2.8758   5.9840   3.9120   11.870   4.2420  131.410   44.175  185.757   41.129 -54.34645 60.35760 
1 1 1   19   16   15 o  130.232   32.954   6.3005   2.9693   6.8814   3.3057   3.8746   6.7555  139.302   39.689  121.161   52.617 18.14121 65.90726 
1 1 1   19   16   17 o  157.845   41.589   12.359   5.0093   11.478   6.8973   13.343   7.2871  153.281   57.824  162.409   59.790 -9.127869 83.17745 
1 1 1   19   16   19 o  139.289   64.616   16.320   12.268   16.320   12.268   0.0000   0.0000  139.289   64.616  ?   ?       ?      ? 
1 1 1   19   16   21 o  117.202   39.205   4.4956   4.8181   28.049   12.035   0.0000   5.2579  149.421   67.252   84.982   40.315 64.43977 78.41031 
1 1 1   19   16   23 o  110.241   34.407   9.2512   4.3018   7.9723   6.4470   10.278   5.7755  103.741   47.662  116.740   49.636 -12.99921 68.81429 
1 1 1   19   17    0 f  352.111   20.540   37.016   5.7417   37.016   5.7417   37.016   5.7417  352.111   29.048  352.111   29.048 0.000000 0.000000 
1 1 1   19   17    2 o  124.241   28.915   2.8997   3.0416  -3.5698   4.2654   9.5930   4.3385   78.940   37.101  169.542   44.360 -90.60136 57.82977 
1 1 1   19   17    4 o  240.196   34.690   19.615   4.6647   15.797   6.6312   23.356   6.5632  210.684   54.706  269.707   42.671 -59.02245 69.37940 
1 1 1   19   17    6 o  237.297   28.950   18.403   3.7798   20.726   5.2275   15.859   5.4716  257.786   35.559  216.808   45.694 40.97856 57.89954 
1 1 1   19   17    8 o  286.166   24.235   25.418   3.9148   20.967   5.3381   30.598   5.7583  257.677   36.326  314.656   32.090 -56.97922 48.47027 
1 1 1   19   17   10 o  113.396   33.954   1.2050   3.5020  -0.8371   4.1413   6.3309   6.5611   87.312   39.360  139.480   55.338 -52.16784 67.90804 
1 1 1   19   17   12 o  170.627   27.983   9.9007   2.9604   4.5131   4.0876   15.844   4.2932  118.788   44.575  222.466   33.840 -103.6782 55.96500 
1 1 1   19   17   14 o  110.396   27.325   3.7127   2.5454   6.7348   3.2231  -1.2965   4.1494  137.944   39.151   82.847   38.128 55.09740 54.64902 
1 1 1   19   17   16 o  114.250   30.111   4.8763   2.5142   5.5964   2.6790  -0.4389   7.2788  125.355   35.735  103.145   48.473 22.20995 60.22142 
1 1 1   19   17   18 o  161.314   71.330   25.463   12.927   25.463   12.927   0.0000   0.0000  161.314   71.330  ?   ?       ?      ? 
1 1 1   19   17   20 o  111.545   51.616   7.2682   7.7569   7.2682   7.7569   0.0000   0.0000  111.545   51.616  ?   ?       ?      ? 
1 1 1   19   17   22 o   92.696   44.468   0.5203   5.8973  -9.8430   11.945   3.8608   6.7815  ?   ?    92.696   44.468      ?      ? 
1 1 1   19   18    1 o  414.742   18.796   51.673   4.4298   46.537   6.2246   56.944   6.3057  392.883   27.781  436.601   25.325 -43.71805 37.59219 
1 1 1   19   18    3 o  494.366   25.168   76.636   7.0656   80.068   9.7329   72.814   10.274  508.513   33.562  480.218   37.514 28.29507 50.33569 
1 1 1   19   18    5 f  606.861   17.343  110.090   6.0020  111.370   8.5123  108.824   8.4641  610.456   24.451  603.267   24.603 7.189087 34.68649 
1 1 1   19   18    7 o  388.887   20.562   46.002   4.5342   43.571   6.0418   49.138   6.8606  378.159   28.015  399.616   30.104 -21.45688 41.12315 
1 1 1   19   18    9 o   99.133   27.931   2.3370   2.3898   1.1041   3.8709   3.0963   3.0378   94.744   40.468  103.522   38.509 -8.778259 55.86224 
1 1 1   19   18   11 o   98.279   32.779  -3.1580   4.7547  -5.6584   7.6676  -1.5959   6.0606   98.040   47.099   98.519   45.602 -0.4794846 65.55774 
1 1 1   19   18   13 o  203.570   24.741   13.685   2.7738   12.835   3.6123   14.906   4.3302  199.183   31.800  207.956   37.910 -8.772873 49.48138 
1 1 1   19   18   15 f   59.225   20.243  -3.5619   1.5293  -4.6650   1.7288   0.4070   3.2792   37.286   18.706   81.164   35.906 -43.87769 40.48641 
1 1 1   19   18   17 o  146.731   41.993   13.125   5.4839   11.708   7.7860   14.520   7.7253  139.661   58.405  153.801   60.354 -14.14040 83.98688 
1 1 1   19   18   19 o  ?   ?  -33.4335   10.706 -33.4335   10.706   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   19   18   21 o   67.259   33.446  -8.6598   4.1476 -16.0760   7.3969  -5.2590   5.0091  ?   ?    67.259   33.446      ?      ? 
1 1 1   19   19    0 o  353.918   19.773   37.520   5.5629   37.520   5.5629   37.520   5.5629  353.918   27.963  353.918   27.963 -0.000000 0.000000 
1 1 1   19   19    2 o  172.941   27.756   9.8657   2.8341   5.7513   3.9262   14.342   4.0950  131.618   44.255  214.263   33.513 -82.64545 55.51285 
1 1 1   19   19    4 o  365.953   28.532   43.176   5.8809   35.058   7.9269   53.114   8.7707  325.315   42.727  406.590   37.825 -81.27484 57.06475 
1 1 1   19   19    6 o  213.063   29.718   15.207   3.5388   17.798   5.1829   12.944   4.8435  233.630   38.900  192.495   44.939 41.13539 59.43636 
1 1 1   19   19    8 o  157.490   32.010   8.9277   3.1700   5.9339   4.5085   11.855   4.4580  131.090   47.213  183.891   43.237 -52.80058 64.01944 
1 1 1   19   19   10 o  375.718   20.905   44.250   4.4696   41.522   6.0854   47.446   6.5863  363.436   29.361  387.999   29.766 -24.56284 41.80973 
1 1 1   19   19   12 o  316.257   21.812   31.849   3.8844   25.785   5.2102   39.435   5.8282  280.724   32.545  351.789   29.051 -71.06573 43.62491 
1 1 1   19   19   14 o  142.075   28.887   7.5935   2.5401   5.4658   3.4834   10.010   3.7121  120.129   41.653  164.021   40.035 -43.89169 57.77348 
1 1 1   19   19   16 o   80.292   23.629   1.3570   1.9069   2.6462   2.3340  -1.2308   3.3068   89.502   33.664   71.083   33.167 18.41846 47.25767 
1 1 1   19   19   18 o  107.109   53.126   5.0302   12.325   5.0302   12.325   0.0000   0.0000  107.109   53.126  ?   ?       ?      ? 
1 1 1   19   19   20 o   89.634   31.162   1.2466   5.6058   3.6401   7.5631  -1.6716   8.3510   93.687   45.439   85.581   42.657 8.106033 62.32430 
1 1 1   19   20    1 o  305.022   21.321   28.847   3.7085   29.251   5.2844   28.455   5.2058  307.110   30.172  302.934   30.134 4.176056 42.64256 
1 1 1   19   20    3 o  189.699   34.750   13.269   4.1650   6.6657   5.8368   20.120   5.9452  138.750   52.988  240.648   44.974 -101.8983 69.50063 
1 1 1   19   20    5 o  379.556   18.851   44.113   4.0794   45.374   5.8474   42.918   5.6939  384.852   26.642  374.259   26.678 10.59332 37.70290 
1 1 1   19   20    7 o  301.085   18.903   28.105   3.1027   28.548   3.8917   27.332   5.1400  307.909   22.163  294.260   30.629 13.64899 37.80685 
1 1 1   19   20    9 o  173.420   30.846   11.053   3.0671   9.6563   4.3972   12.376   4.2802  160.230   45.818  186.611   41.310 -26.38126 61.69158 
1 1 1   19   20   11 o  111.331   35.895   0.2804   4.7906   7.5045   8.1849  -3.4838   5.9083  134.444   58.150   88.218   42.099 46.22630 71.78981 
1 1 1   19   20   13 o  148.426   32.491   8.6936   3.0004   6.8555   3.8417   11.568   4.8043  130.898   43.778  165.953   48.022 -35.05505 64.98145 
1 1 1   19   20   15 o  144.538   27.012   7.7881   2.2047   9.5844   3.6276   6.7360   2.7762  155.166   40.546  133.911   35.702 21.25533 54.02388 
1 1 1   19   20   17 o  117.528   44.474   3.2997   3.8839 -27.8379   12.441   6.6619   4.0882  ?   ?   117.528   44.474      ?      ? 
1 1 1   19   20   19 o   80.827   27.321   0.7502   3.0295  -0.1189   7.3123   0.9303   3.3286   85.939   42.305   75.715   34.585 10.22424 54.64240 
1 1 1   19   21    0 o  104.557   37.163   5.3031   3.8565   5.3031   3.8565   5.3031   3.8565  104.557   52.556  104.557   52.556 -0.000000 0.000000 
1 1 1   19   21    2 o  140.273   35.402   7.4197   3.8045   9.4627   4.7360   3.7026   6.3881  159.033   48.113  121.514   51.946 37.51932 70.80402 
1 1 1   19   21    4 o  171.960   29.486   10.458   2.8615   10.353   4.0194   10.567   4.0747  171.142   41.591  172.777   41.807 -1.635315 58.97107 
1 1 1   19   21    6 o   90.041   26.154   1.3182   2.2495  -0.5290   3.1391   3.2682   3.2252   76.358   34.359  103.723   39.441 -27.36520 52.30854 
1 1 1   19   21    8 o  226.219   26.664   17.679   3.3198   16.611   4.9405   18.559   4.4825  214.853   41.826  237.584   33.083 -22.73166 53.32864 
1 1 1   19   21   10 o  181.475   29.804   12.397   3.0652   15.261   4.3857   9.6623   4.2857  206.650   38.634  156.301   45.393 50.34958 59.60807 
1 1 1   19   21   12 o   99.663   31.870   2.0764   3.2677   0.5843   8.1585   2.3615   3.5662  105.527   50.107   93.800   39.395 11.72667 63.73914 
1 1 1   19   21   14 o  134.365   29.865   7.6149   2.5077   7.5921   3.0754   7.6600   4.3319  139.602   37.731  129.128   46.303 10.47411 59.72943 
1 1 1   19   21   16 f  236.403   20.761   19.052   2.7175   17.111   3.4009   22.481   4.5198  224.333   26.583  248.474   31.897 -24.14117 41.52163 
1 1 1   19   21   18 o  ?   ?   -5.8866   12.164  -5.8866   12.164   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   19   22    1 f  267.409   34.044   26.730   4.9588   27.474   6.4963   25.691   7.6762  281.853   40.415  252.964   54.795 28.88924 68.08739 
1 1 1   19   22    3 o  209.348   34.103   17.327   3.9370   18.648   4.8327   14.720   6.7886  236.155   35.884  182.540   58.004 53.61502 68.20660 
1 1 1   19   22    5 o  100.695   28.981   0.8031   2.7831   6.6296   4.5757  -2.6183   3.5063  131.183   47.516   70.206   33.192 60.97707 57.96128 
1 1 1   19   22    7 o   61.887   21.082  -3.2064   2.0566  -3.5581   2.5489  -2.5503   3.4814   54.111   26.275   69.663   32.977 -15.55188 42.16465 
1 1 1   19   22    9 f  182.616   30.409   12.865   3.1140   12.617   4.4864   13.096   4.3257  179.406   44.150  185.827   41.827 -6.421906 60.81725 
1 1 1   19   22   11 o  205.333   27.524   15.807   3.1048   15.578   4.4048   16.033   4.3770  203.155   39.441  207.510   38.401 -4.355057 55.04795 
1 1 1   19   22   13 o  101.764   32.820   2.1515   4.7948  -8.0970   8.2281   7.4212   5.9001   84.181   42.020  119.346   50.427 -35.16555 65.63988 
1 1 1   19   22   15 o   94.071   27.241   3.5238   2.4247   4.4868   2.9479   1.5093   4.2635  102.788   37.995   85.353   39.047 17.43519 54.48146 
1 1 1   19   22   17 o   97.442   32.402   4.3448   3.8076   11.830   8.4383   2.4311   4.2666  109.731   51.760   85.153   38.994 24.57787 64.80433 
1 1 1   19   23    0 o   95.642   35.652   4.6636   3.6615   4.6636   3.6615   4.6636   3.6615   95.642   50.419   95.642   50.419 -0.000000 0.000000 
1 1 1   19   23    2 o  140.724   36.029   7.6431   3.7923   4.3975   4.8851   12.565   6.0158  114.206   46.867  167.242   54.733 -53.03577 72.05705 
1 1 1   19   23    4 o   66.925   22.504  -2.6343   2.3147  -2.5488   3.0447  -2.7512   3.5629   64.353   30.572   69.497   33.032 -5.144615 45.00851 
1 1 1   19   23    6 o  131.054   31.587   6.8762   2.8899   5.2294   4.0426   8.5973   4.1327  116.711   44.211  145.397   45.125 -28.68585 63.17338 
1 1 1   19   23    8 o  118.189   31.327   5.6441   2.8783   4.6909   4.0719   6.5961   4.0691  110.746   43.703  125.633   44.895 -14.88779 62.65377 
1 1 1   19   23   10 o   96.155   28.020   2.7628   2.6577   4.9667   3.5784   0.0515   3.9690  110.656   41.671   81.654   37.471 29.00191 56.04051 
1 1 1   19   23   12 f  103.196   33.248   3.7165   4.6892  -2.8158   7.7938   7.4229   5.8707   89.451   43.963  116.941   49.890 -27.49074 66.49608 
1 1 1   19   23   14 f   94.450   26.550   3.6754   2.1310   3.6632   2.8187   3.6918   3.2559   94.533   36.634   94.367   38.439 0.1656342 53.10019 
1 1 1   19   23   16 o  151.406   33.643   12.524   3.5409   6.7960   4.5140   21.687   5.7092  105.862   44.385  196.949   50.570 -91.08725 67.28530 
1 1 1   19   24    1 o  239.930   38.293   24.181   5.0786   17.847   6.4292   34.693   8.2818  195.979   55.182  283.880   53.108 -87.90115 76.58668 
1 1 1   19   24    3 o  288.366   22.393   28.179   3.6612   31.449   5.2145   25.001   5.1416  307.594   29.726  269.138   33.499 38.45654 44.78666 
1 1 1   19   24    5 o   96.041   28.202   2.7689   2.5744   1.7648   3.8061   3.6157   3.4953   90.515   39.401  101.568   40.361 -11.05347 56.40425 
1 1 1   19   24    7 o   91.273   27.607   1.9908   2.6347   0.1179   3.7427   3.8306   3.7095   80.492   36.731  102.053   41.225 -21.56185 55.21468 
1 1 1   19   24    9 o  197.358   29.508   15.893   3.2169   15.743   4.5830   16.039   4.5166  195.460   42.340  199.256   41.111 -3.795288 59.01504 
1 1 1   19   24   11 o   92.054   27.851   2.7957   2.5657   1.5922   3.3259   4.5647   4.0322   82.212   36.275  101.897   42.271 -19.68501 55.70223 
1 1 1   19   24   13 o  112.127   35.377   9.2376   4.9544   4.8543   8.1111   11.846   6.2574   97.833   47.355  126.421   52.569 -28.58771 70.75321 
1 1 1   19   24   15 o   98.769   42.549   5.7169   4.3468   5.7169   4.3468   0.0000   0.0000   98.769   42.549  ?   ?       ?      ? 
1 1 1   19   25    2 o  277.669   22.690   26.946   3.5910   26.104   5.0761   27.788   5.0809  272.382   32.678  282.957   31.487 -10.57532 45.37938 
1 1 1   19   25    4 o  315.864   22.237   34.872   4.0054   34.574   5.6702   35.168   5.6587  314.142   31.650  317.585   31.244 -3.442810 44.47398 
1 1 1   19   25    6 o  251.683   23.864   22.980   3.3955   26.603   4.9248   19.698   4.6878  274.041   31.512  229.325   35.845 44.71605 47.72729 
1 1 1   19   25    8 o   78.058   24.925   0.4943   2.3504   2.2236   3.5854  -0.8090   3.1125   87.383   38.135   68.732   32.106 18.65138 49.85025 
1 1 1   19   25   10 o  130.599   29.928   7.3985   2.4816   5.3167   3.0558   11.431   4.2528  108.925   38.907  152.273   45.486 -43.34825 59.85604 
1 1 1   19   25   12 o   96.234   26.670   2.5973   2.4009  -1.3305   3.0668   8.8157   3.8589   63.583   30.340  128.885   43.871 -65.30177 53.34038 
1 1 1   19   26    1 o   93.603   30.333   1.9858   3.6243   4.4556   5.5408   0.1389   4.7914  103.016   46.054   84.190   39.489 18.82597 60.66613 
1 1 1   19   26    3 o   94.287   28.109   3.1448   2.5830   2.0528   3.4688   4.5038   3.8699   86.102   37.544  102.471   41.843 -16.36945 56.21752 
1 1 1   19   26    5 o  157.188   31.090   11.451   2.9633   13.677   4.2193   9.2850   4.1628  177.319   42.314  137.056   45.563 40.26247 62.18077 
1 1 1   19   26    7 o  155.213   30.242   11.119   3.0377   6.3319   4.0473   17.294   4.5970  111.368   43.691  199.058   41.825 -87.68981 60.48310 
1 1 1   19   26    9 o  109.075   30.128   6.2588   2.7276   5.4901   3.8481   7.0350   3.8667  103.342   41.904  114.808   43.299 -11.46581 60.25542 
1 1 1   19   26   11 o  100.751   28.209   5.0522   2.3047   4.3903   2.8062   6.4241   4.0399   96.590   36.775  104.911   42.786 -8.321686 56.41856 
1 1 1   19   27    0 o   52.082   26.209  -3.7309   4.7832  -3.7309   4.7832  -3.7309   4.7832   52.082   37.065   52.082   37.065 -0.000000 0.000000 
1 1 1   19   27    2 o  146.578   38.380   15.121   4.4991   12.161   6.6962   17.557   6.0744  126.119   53.529  167.036   55.015 -40.91688 76.75959 
1 1 1   19   27    4 o  328.477   22.006   40.099   4.1059   44.897   6.0053   35.887   5.6264  349.226   30.153  307.728   32.061 41.49780 44.01243 
1 1 1   19   27    6 o  164.457   32.568   14.208   3.2541   12.025   4.6640   16.278   4.5423  144.111   48.235  184.804   43.774 -40.69348 65.13663 
1 1 1   19   27    8 o   95.048   27.505   3.8839   2.6597   7.7143   3.7610   0.0517   3.7619  117.613   43.006   72.483   34.303 45.12976 55.01091 
1 1 1   19   28    1 o   76.938   25.801  -1.3734   3.3565  -9.0208   5.1053   4.4490   4.4547   60.701   30.667   93.174   41.500 -32.47368 51.60143 
1 1 1   19   28    3 o   67.193   23.095  -1.7541   2.7249  -1.2973   3.3777  -2.6055   4.6114   65.246   31.322   69.140   33.947 -3.893738 46.18994 
1 1 1   20    0    0 o  867.598   25.131  217.616   17.518  217.616   17.518  217.616   17.518  867.598   35.541  867.598   35.541 -0.000000 0.000000 
1 1 1   20    0    2 o  177.383   55.936   13.860   8.4923   13.860   8.4923   13.860   8.4923  177.383   79.106  177.383   79.106 0.000000 0.000000 
1 1 1   20    0    4 o  266.522   33.563   22.656   6.5325   22.656   6.5325   22.656   6.5325  266.522   47.465  266.522   47.465 0.000000 0.000000 
1 1 1   20    0    6 o  139.802   31.956   7.2244   3.1839   7.2244   3.1839   7.2244   3.1839  139.802   45.193  139.802   45.193 0.000000 0.000000 
1 1 1   20    0    8 o   93.929   36.711   3.7275   4.0622   3.7275   4.0622   3.7275   4.0622   93.929   51.917   93.929   51.917 0.000000 0.000000 
1 1 1   20    0   10 o  582.147   21.605   99.438   10.080   99.438   10.080   99.438   10.080  582.147   30.554  582.147   30.554 0.000000 0.000000 
1 1 1   20    0   12 o  105.050   45.203   3.9847   7.1780   3.9847   7.1780   3.9847   7.1780  105.050   63.927  105.050   63.927 0.000000 0.000000 
1 1 1   20    0   14 o  259.600   28.170   21.393   5.4850   21.393   5.4850   21.393   5.4850  259.600   39.838  259.600   39.838 -0.000000 0.000000 
1 1 1   20    0   16 o  390.071   18.965   45.228   5.9014   45.228   5.9014   45.228   5.9014  390.071   26.820  390.071   26.820 -0.000000 0.000000 
1 1 1   20    0   18 o  219.830   29.382   16.138   4.6665   16.138   4.6665   16.138   4.6665  219.830   41.552  219.830   41.552 -0.000000 0.000000 
1 1 1   20    0   22 o  203.680   41.307   17.137   5.8830   17.137   5.8830   17.137   5.8830  203.680   58.417  203.680   58.417 -0.000000 0.000000 
1 1 1   20    0   24 o   42.683   21.460  -3.3396   3.1806  -3.3396   3.1806  -3.3396   3.1806   42.683   30.349   42.683   30.349 0.000000 0.000000 
1 1 1   20    0   26 o   87.636   35.038   5.0159   3.8046   5.0159   3.8046   5.0159   3.8046   87.636   49.551   87.636   49.551 -0.000000 0.000000 
1 1 1   20    1    1 o  105.846   34.955  -6.6257   5.2566  -9.8773   7.2453  -3.0119   7.6382   94.412   45.465  117.280   53.107 -22.86720 69.91010 
1 1 1   20    1    3 o  807.430   17.930  191.382   8.0420  198.871   10.393  180.209   12.695  829.198   21.979  785.662   28.334 43.53540 35.85916 
1 1 1   20    1    5 o  542.079   18.266   85.143   5.5536   83.182   7.1938   88.035   8.7373  535.351   23.563  548.807   27.917 -13.45538 36.53146 
1 1 1   20    1    7 o  541.155   13.755   85.142   4.2172   90.770   5.7773   78.723   6.1700  560.914   18.061  521.395   20.750 39.51929 27.50929 
1 1 1   20    1    9 o  1185.75   16.572  410.936   11.005  414.668   14.324  405.557   17.194  1194.94   21.020  1176.56   25.626 18.37659 33.14392 
1 1 1   20    1   11 o  673.715   40.456  139.900   15.544   0.0000   0.0000  139.900   15.544  ?   ?   673.715   40.456      ?      ? 
1 1 1   20    1   13 o  169.576   43.513   9.8485   5.8951   13.577   7.1425   1.8819   10.441  195.098   59.099  144.054   63.881 51.04362 87.02606 
1 1 1   20    1   15 o  155.681   41.877   8.0551   5.2234   10.033   7.2032   5.8614   7.5857  167.069   59.729  144.293   58.713 22.77644 83.75419 
1 1 1   20    1   17 o  119.887   31.654   2.5784   3.5091   8.6462   4.8818  -3.9082   5.0475  155.376   49.169   84.399   39.878 70.97717 63.30734 
1 1 1   20    1   21 o  137.066   41.909   6.3172   4.8115   4.0159   5.3276   16.498   11.206  113.209   47.881  160.922   68.797 -47.71320 83.81834 
1 1 1   20    1   23 o  175.806   29.231   11.707   2.7668   10.327   3.3996   14.414   4.7619  166.126   36.848  185.486   45.387 -19.36037 58.46199 
1 1 1   20    1   25 o  187.234   29.278   14.460   2.9944   19.242   4.8749   11.562   3.7947  211.299   41.935  163.168   40.868 48.13098 58.55557 
1 1 1   20    2    0 o  104.045   45.525   2.8603   7.5653   2.8603   7.5653   2.8603   7.5653  104.045   64.383  104.045   64.383 -0.000000 0.000000 
1 1 1   20    2    2 o  629.330   21.346  110.204   6.5572  105.127   7.4606  127.443   13.748  603.032   21.694  655.628   36.768 -52.59570 42.69118 
1 1 1   20    2    4 o  371.375   22.350   41.145   4.5895   43.317   5.9165   37.863   7.2724  385.412   26.918  357.339   35.687 28.07303 44.70028 
1 1 1   20    2    6 o  256.035   24.302   19.249   3.5282   22.249   5.2862   16.838   4.7380  273.995   33.830  238.075   34.897 35.92014 48.60338 
1 1 1   20    2    8 o  381.995   29.198   44.438   5.3534   44.516   6.1290   44.188   10.995  389.333   27.604  374.656   51.461 14.67691 58.39700 
1 1 1   20    2   10 o  230.783   40.023   14.422   4.9521   9.0816   5.7685   29.388   9.6560  167.018   53.511  294.547   59.532 -127.5296 80.04671 
1 1 1   20    2   12 o  210.114   33.296   14.432   3.8859   16.419   5.7686   12.782   5.2578  223.765   46.713  196.464   47.460 27.30133 66.59236 
1 1 1   20    2   14 o  437.285   25.925   59.519   6.4493   62.380   8.9908   56.486   9.2564  449.669   35.060  424.900   38.200 24.76901 51.85010 
1 1 1   20    2   16 o  368.561   20.565   41.936   4.2175   38.410   6.5359   44.451   5.5206  352.104   32.549  385.018   25.143 -32.91339 41.12927 
1 1 1   20    2   18 o  312.841   20.838   28.886   3.5495   19.171   4.5528   43.944   5.6680  246.302   32.413  379.381   26.198 -133.0790 41.67653 
1 1 1   20    2   22 o  150.984   39.836   11.099   4.3991   9.6937   5.3385   14.071   7.7648  144.869   51.460  157.100   60.825 -12.23152 79.67278 
1 1 1   20    2   24 o  107.558   30.530   4.9674   2.9999   6.9646   4.0873   2.6350   4.4170  121.563   44.774   93.552   41.515 28.01077 61.05915 
1 1 1   20    2   26 f   90.555   27.669   3.5885   2.6100   3.9259   3.8230   3.2940   3.5720   92.412   39.856   88.698   38.389 3.713882 55.33771 
1 1 1   20    3    1 o  206.967   36.098   10.430   3.7556   7.3315   4.2394   21.729   8.0951  153.974   45.271  259.960   56.238 -105.9855 72.19552 
1 1 1   20    3    3 o  487.594   25.821   69.989   6.7423   68.833   8.2100   72.384   11.816  484.740   29.699  490.448   42.247 -5.708160 51.64146 
1 1 1   20    3    5 o  235.386   37.461   15.013   4.4098   11.805   5.0557   25.216   9.0164  193.046   46.480  277.725   58.762 -84.67940 74.92217 
1 1 1   20    3    7 o  221.133   30.715   14.989   3.7866   11.846   5.1020   18.843   5.6501  192.481   46.908  249.785   39.664 -57.30431 61.42930 
1 1 1   20    3    9 o  442.506   27.382   58.411   6.3792   56.742   7.6407   62.252   11.590  437.297   30.638  447.714   45.392 -10.41727 54.76475 
1 1 1   20    3   11 o  298.301   19.668   26.422   3.3215   26.803   4.4609   25.947   4.9759  301.456   25.948  295.146   29.563 6.309875 39.33527 
1 1 1   20    3   13 o  252.218   32.796   21.279   4.5039   28.351   6.3615   14.170   6.3775  302.906   36.826  201.529   54.277 101.3773 65.59101 
1 1 1   20    3   15 o  384.625   23.848   45.765   4.6511   45.813   5.4785   45.642   8.8016  392.118   24.499  377.132   40.924 14.98569 47.69630 
1 1 1   20    3   17 o  172.228   32.147   11.286   3.4313   6.0938   5.6585   14.307   4.3153  135.884   52.105  208.572   37.665 -72.68817 64.29333 
1 1 1   20    3   19 f  312.325   33.663   31.587   5.9960   0.0000   0.0000   31.587   5.9960  ?   ?   312.325   33.663      ?      ? 
1 1 1   20    3   21 o  140.817   43.607   9.3959   6.2808   7.3460   7.5563   13.978   11.297  131.021   56.266  150.613   66.636 -19.59129 87.21339 
1 1 1   20    3   23 o   97.982   28.653   3.1450   2.7655   4.7962   3.5061   0.4261   4.4989  109.373   41.235   86.591   39.795 22.78156 57.30593 
1 1 1   20    3   25 o  116.757   26.315   5.3496   2.9690   11.921   3.8020  -4.9204   4.7531  165.668   40.566   67.846   33.532 97.82220 52.63081 
1 1 1   20    4    0 o  382.644   14.115   42.342   4.3289   42.342   4.3289   42.342   4.3289  382.644   19.962  382.644   19.962 0.000000 0.000000 
1 1 1   20    4    2 o  294.475   32.385   25.164   5.2521   22.051   6.4884   31.080   8.9444  270.697   42.030  318.253   49.282 -47.55667 64.77084 
1 1 1   20    4    4 o  332.545   36.372   32.915   6.8977   32.915   6.8977   0.0000   0.0000  332.545   36.372  ?   ?       ?      ? 
1 1 1   20    4    6 o  162.437   38.963   7.3881   3.5747   7.0269   3.9366   9.0861   8.5357  149.906   43.496  174.969   64.657 -25.06345 77.92583 
1 1 1   20    4    8 o  520.864   26.635   84.778   7.2435   90.206   8.8485   73.750   12.612  553.507   28.032  488.221   45.297 65.28607 53.26912 
1 1 1   20    4   10 o  174.803   30.855   9.5465   2.8990   9.0371   3.4886   10.683   5.2115  169.570   37.106  180.036   49.308 -10.46606 61.70997 
1 1 1   20    4   12 o  160.594   38.672   8.8995   4.0244   10.065   4.4088   3.0791   9.8544  175.090   44.160  146.097   63.497 28.99269 77.34330 
1 1 1   20    4   14 o  480.372   30.275   75.447   7.1488   77.237   8.3596   70.573   13.791  505.910   28.975  454.835   53.168 51.07571 60.55024 
1 1 1   20    4   16 o  256.550   23.951   20.513   3.4925   21.663   5.2002   19.567   4.7138  262.483   34.740  250.617   32.981 11.86697 47.90181 
1 1 1   20    4   18 o  198.591   38.279   16.355   4.6432   11.610   7.7694   18.992   5.7911  165.606   61.589  231.576   45.473 -65.96991 76.55774 
1 1 1   20    4   20 o  180.847   73.403   20.917   11.820   0.0000   0.0000   20.917   11.820  ?   ?   180.847   73.403      ?      ? 
1 1 1   20    4   22 o  110.208   35.961   3.2047   5.2674   3.1916   7.2801   3.2191   7.6306  109.781   50.515  110.636   51.195 -0.8551712 71.92185 
1 1 1   20    4   24 o  114.600   32.840   6.7744   3.5611   3.8780   6.2744   8.1507   4.3252  101.097   46.655  128.104   46.229 -27.00723 65.67950 
1 1 1   20    4   26 o   79.445   26.796   0.6951   3.3428  -0.1530   5.5181   1.1868   4.2015   79.590   38.650   79.300   37.126 0.2901688 53.59255 
1 1 1   20    5    1 o  109.807   27.352   2.4738   2.4169  -0.9159   3.4579   5.7113   3.3794   83.002   36.787  136.612   40.488 -53.61031 54.70451 
1 1 1   20    5    3 o  347.905   34.863   35.917   6.9170   35.917   6.9170   0.0000   0.0000  347.905   34.863  ?   ?       ?      ? 
1 1 1   20    5    5 o  127.316   36.280   2.7762   3.1121   2.4186   3.3835   4.7409   7.9308  104.843   40.271  149.789   60.360 -44.94539 72.56032 
1 1 1   20    5    7 o  137.385   31.623   5.5003   2.7927   4.4916   3.5596   7.1155   4.5042  124.099   42.136  150.672   47.166 -26.57351 63.24662 
1 1 1   20    5    9 o  276.707   36.206   23.002   5.1623   19.571   6.1494   31.190   9.5005  247.614   45.214  305.799   56.561 -58.18494 72.41124 
1 1 1   20    5   11 o  431.198   29.364   62.544   5.9569   67.617   6.9454   48.428   11.585  478.580   25.448  383.816   52.929 94.76443 58.72863 
1 1 1   20    5   13 o   94.781   32.325  -5.2846   4.0988  -4.9957   4.6044  -6.3873   8.9962   77.988   37.203  111.574   52.873 -33.58553 64.64998 
1 1 1   20    5   15 o  233.645   41.051   17.844   4.3021   16.706   4.6667   24.283   11.102  230.862   35.446  236.429   74.056 -5.567368 82.10163 
1 1 1   20    5   17 o  271.966   25.109   23.904   3.8424   21.639   5.6957   25.797   5.2053  257.076   38.850  286.856   31.819 -29.77979 50.21741 
1 1 1   20    5   19 o  121.785   57.511  -0.0086   10.472   0.0000   0.0000  -0.0086   10.472  ?   ?   121.785   57.511      ?      ? 
1 1 1   20    5   21 o  129.723   37.976   6.7137   4.4433   4.3180   5.5600   10.948   7.3919  113.435   48.476  146.012   58.471 -32.57709 75.95295 
1 1 1   20    5   23 o  107.027   30.735   4.1812   2.9431   7.3855   4.6504   2.0403   3.8013  124.299   47.338   89.754   39.215 34.54587 61.47098 
1 1 1   20    5   25 o   66.390   22.714  -3.2715   2.8127  -9.5796   4.7499   0.1350   3.4905   58.964   29.764   73.816   34.319 -14.85190 45.42800 
1 1 1   20    6    0 o   45.786   22.604  -2.8799   3.0541  -2.8799   3.0541  -2.8799   3.0541   45.786   31.968   45.786   31.968 -0.000000 0.000000 
1 1 1   20    6    2 o  329.349   20.260   30.697   3.7067   27.235   4.6479   36.745   6.1436  305.331   26.693  353.368   30.486 -48.03699 40.52054 
1 1 1   20    6    4 o  135.754   51.131   4.7208   5.3881   4.7208   5.3881   0.0000   0.0000  135.754   51.131  ?   ?       ?      ? 
1 1 1   20    6    6 o  482.992   22.455   69.645   4.3743   69.856   4.7486   68.461   11.241  492.147   16.919  473.836   41.601 18.31082 44.90949 
1 1 1   20    6    8 o  553.331   24.249   91.685   7.0644   91.290   8.5086   92.559   12.675  556.862   26.793  549.800   40.425 7.061584 48.49749 
1 1 1   20    6   10 o  149.907   38.773   6.8072   4.0192   7.2682   4.6029   5.3275   8.2469  150.193   47.766  149.622   61.088 0.5709076 77.54585 
1 1 1   20    6   12 o  233.610   29.665   17.423   3.8697   16.375   5.3558   18.568   5.5972  224.072   43.481  243.149   40.365 -19.07726 59.32912 
1 1 1   20    6   14 o  305.924   39.891   35.951   5.3180   38.171   6.0046   27.871   11.453  354.413   29.709  257.436   74.044 96.97729 79.78199 
1 1 1   20    6   16 o  180.636   34.217   14.218   4.8988  -7.5108   11.112   19.460   5.4577  116.528   56.163  244.743   39.103 -128.2153 68.43436 
1 1 1   20    6   18 o   94.938   33.208 -12.7420   6.6170 -14.1742   9.1386 -11.1637   9.5936   91.374   45.393   98.502   48.483 -7.127304 66.41602 
1 1 1   20    6   20 o   90.734   29.673  -5.9275   4.2710   4.4391   5.6708 -19.5158   6.4924  116.715   49.383   64.754   32.913 51.96053 59.34600 
1 1 1   20    6   22 o   88.922   27.666   1.6042   2.6360   2.4422   3.0404  -0.9322   5.2895   90.631   37.057   87.213   41.090 3.418083 55.33185 
1 1 1   20    6   24 o  225.538   20.762   17.920   2.6528   20.494   3.8480   15.589   3.6621  243.280   27.736  207.797   30.903 35.48264 41.52428 
1 1 1   20    6   26 o   68.899   22.658   0.2844   2.0455   0.0828   2.5056   0.6874   3.5421   64.228   29.584   73.570   34.327 -9.341972 45.31621 
1 1 1   20    7    1 o  724.265   15.456  154.079   5.9844  157.940   7.3453  146.456   10.321  740.189   17.401  708.340   25.549 31.84888 30.91219 
1 1 1   20    7    3 o  415.269   26.265   53.016   5.9232   56.818   7.5139   46.775   9.6266  438.998   30.013  391.539   43.113 47.45898 52.53087 
1 1 1   20    7    5 o  149.863   44.995   7.0659   4.1537   7.0659   4.1537   0.0000   0.0000  149.863   44.995  ?   ?       ?      ? 
1 1 1   20    7    7 o  405.174   26.627   48.594   5.7079   46.629   6.8444   53.082   10.343  396.323   30.283  414.025   43.806 -17.70148 53.25430 
1 1 1   20    7    9 o  481.842   23.369   65.823   5.6835   61.417   6.5597   79.092   11.383  456.746   25.183  506.938   39.373 -50.19223 46.73812 
1 1 1   20    7   11 o  392.248   28.017   48.924   5.2539   49.920   6.0472   45.857   10.611  410.269   25.846  374.226   49.718 36.04315 56.03481 
1 1 1   20    7   13 o  136.968   39.505   4.5662   3.8665   4.3590   4.2016   5.7122   9.8807  122.268   45.327  151.667   64.714 -29.39921 79.00946 
1 1 1   20    7   15 o  244.893   45.322   24.914   6.4144   26.933   7.9035   21.017   10.979  274.652   52.371  215.135   73.984 59.51765 90.64424 
1 1 1   20    7   19 o  126.622   36.913   4.7584   4.0964   2.3376   4.9840   9.7984   7.1914  105.141   45.426  148.105   58.196 -42.96389 73.82600 
1 1 1   20    7   21 o  252.374   29.715   22.351   3.6201   20.542   4.1747   27.832   7.2684  249.302   29.364  255.445   51.669 -6.143799 59.42954 
1 1 1   20    7   23 o   58.344   20.233  -4.0949   1.9855  -5.6487   2.4222  -0.9130   3.4663   44.619   22.350   72.069   33.735 -27.45002 40.46697 
1 1 1   20    7   25 o   63.432   21.949  -1.7186   2.0919  -1.3645   2.3019  -3.3979   5.0128   55.924   26.572   70.940   34.942 -15.01569 43.89760 
1 1 1   20    8    0 o  678.828   17.824  133.546   9.7276  133.546   9.7276  133.546   9.7276  678.828   25.207  678.828   25.207 0.000000 0.000000 
1 1 1   20    8    2 o  295.458   25.720   26.510   4.2054   34.017   6.0070   19.293   5.8895  339.007   31.071  251.909   40.996 87.09793 51.44025 
1 1 1   20    8    4 o  532.205   22.164   90.251   5.5740   96.391   6.4550   72.248   11.053  576.814   19.623  487.597   39.749 89.21716 44.32899 
1 1 1   20    8    6 o  349.569   28.495   35.933   5.4465   32.489   6.6844   42.737   9.3949  328.205   35.713  370.934   44.412 -42.72913 56.98994 
1 1 1   20    8    8 f  394.222   26.893   48.307   5.2136   49.179   6.0656   45.840   10.201  408.315   26.049  380.129   47.058 28.18530 53.78666 
1 1 1   20    8   10 o  155.253   34.435   2.2361   3.2174  -1.2616   3.5434   18.666   7.6798   80.731   36.399  229.776   58.464 -149.0454 68.86932 
1 1 1   20    8   12 o  149.497   34.986   7.6798   3.2175   8.3812   3.5416   4.3649   7.6991  160.348   39.085  138.645   58.037 21.70375 69.97123 
1 1 1   20    8   14 o  511.633   26.419   85.303   5.1500   86.357   5.5640   79.004   13.604  543.193   17.961  480.072   49.691 63.12207 52.83756 
1 1 1   20    8   16 o  234.493   44.123   21.028   5.5954   18.425   6.6352   27.437   10.411  221.458   53.202  247.529   70.404 -26.07109 88.24548 
1 1 1   20    8   18 o   75.974   35.958  -3.0540   4.1354  -3.0540   4.1354   0.0000   0.0000   75.974   35.958  ?   ?       ?      ? 
1 1 1   20    8   20 o  123.051   33.063   5.5319   3.8534   9.9689   4.8682  -1.9120   6.3056  152.863   49.178   93.239   44.208 59.62387 66.12698 
1 1 1   20    8   22 o   86.604   27.114   1.1576   2.1353   0.5238   2.3795   3.7776   4.8382   70.668   30.947  102.540   44.529 -31.87173 54.22702 
1 1 1   20    8   24 o   80.014   25.803   1.2384   2.5184   1.8044   2.9494  -0.2850   4.8388   80.111   34.778   79.916   38.127 0.1953430 51.60590 
1 1 1   20    9    1 o  774.321   17.253  175.244   7.6183  172.874   10.768  177.620   10.780  768.958   24.555  779.685   24.243 -10.72614 34.50672 
1 1 1   20    9    3 o  592.774   21.984  105.221   7.0450  101.593   11.900  107.178   8.7414  580.840   35.925  604.707   25.348 -23.86682 43.96764 
1 1 1   20    9    5 o  194.695   41.338   12.832   4.9444   13.876   7.3227   11.957   6.7032  201.174   59.594  188.217   57.306 12.95657 82.67671 
1 1 1   20    9    7 o  521.267   23.454   88.759   5.3985   93.915   6.0977   70.063   11.611  568.769   18.799  473.764   42.976 95.00485 46.90798 
1 1 1   20    9    9 o  321.583   32.841   35.397   4.9427   37.986   5.8253   28.741   9.3394  356.574   28.647  286.593   59.105 69.98074 65.68182 
1 1 1   20    9   11 o  110.301   33.543   1.3813   3.1259   1.1538   3.4819   2.3262   7.0963   93.774   39.123  126.827   54.497 -33.05352 67.08616 
1 1 1   20    9   13 o  119.140   32.858   3.8293   3.2420   2.9658   4.7456   4.5851   4.4395  114.334   46.471  123.945   46.465 -9.610519 65.71604 
1 1 1   20    9   15 o  363.721   30.057   41.083   4.9734   38.996   5.5367   49.801   11.317  357.396   27.165  370.047   53.627 -12.65109 60.11469 
1 1 1   20    9   17 o  119.276   36.384   3.6491   4.2607   4.7698   4.7942  -0.5631   9.2942  120.951   47.519  117.602   55.109 3.349098 72.76728 
1 1 1   20    9   19 o  158.957   48.580   10.369   4.8108   10.369   4.8108   0.0000   0.0000  158.957   48.580  ?   ?       ?      ? 
1 1 1   20    9   21 o  166.923   35.515   14.619   3.8769   15.216   4.2227   11.416   9.7824  201.703   38.106  132.144   59.944 69.55969 71.03096 
1 1 1   20    9   23 o  109.917   27.322   5.7147   2.4200   6.8622   2.7072   1.1511   5.3987  131.283   35.366   88.552   41.657 42.73069 54.64491 
1 1 1   20    9   25 o   75.262   24.698   0.4255   2.7329   2.9876   3.4782  -3.7081   4.4180   85.064   37.329   65.460   32.348 19.60364 49.39524 
1 1 1   20   10    0 o  700.972   17.391  142.537   9.8043  142.537   9.8043  142.537   9.8043  700.972   24.594  700.972   24.594 0.000000 0.000000 
1 1 1   20   10    2 o  126.640   33.135   4.2866   3.1896   5.1589   4.5308   3.4295   4.4910  133.312   47.402  119.968   46.311 13.34400 66.26927 
1 1 1   20   10    4 o  258.575   36.235   22.302   5.1744   26.070   7.0039   17.773   7.6779  290.005   42.349  227.144   58.810 62.86111 72.47092 
1 1 1   20   10    6 o  317.525   17.527   27.921   3.0765   38.025   5.1672   22.373   3.8292  359.209   25.224  275.842   24.342 83.36707 35.05415 
1 1 1   20   10    8 o  380.845   23.912   42.587   4.2050   41.501   4.7092   46.860   9.3407  376.218   21.949  385.472   42.491 -9.254150 47.82498 
1 1 1   20   10   10 o  228.361   31.522   15.023   3.1584   13.823   3.4697   20.828   7.6301  214.471   28.368  242.251   56.300 -27.78081 63.04326 
1 1 1   20   10   12 o  125.052   34.046   4.5270   3.5200   6.2503   4.0538  -0.7548   7.0969  137.165   44.932  112.939   51.162 24.22617 68.09129 
1 1 1   20   10   14 o  460.876   23.192   63.845   4.8517   62.041   5.4074   71.292   10.987  457.427   20.729  464.325   41.493 -6.897858 46.38309 
1 1 1   20   10   16 f  250.107   39.645   25.226   4.8585   25.709   5.5162   23.557   10.260  281.895   34.313  218.319   71.481 63.57603 79.29018 
1 1 1   20   10   18 o  119.054   40.403   5.0969   3.2727   5.0969   3.2727   0.0000   0.0000  119.054   40.403  ?   ?       ?      ? 
1 1 1   20   10   20 o  212.319   35.310   15.926   4.2754   15.926   4.2754   0.0000   0.0000  212.319   35.310  ?   ?       ?      ? 
1 1 1   20   10   22 o   81.594   26.528   0.6294   1.7635   0.2517   1.8614   3.9380   5.5095   62.065   27.271  101.123   45.510 -39.05807 53.05502 
1 1 1   20   10   24 o   65.065   21.741  -1.2274   2.2327   0.7112   2.7318  -5.1281   3.8749   70.638   31.894   59.492   29.555 11.14558 43.48259 
1 1 1   20   11    1 o  110.117   31.217   2.2089   3.0257   0.8753   4.2665   3.5583   4.2917  101.051   42.799  119.181   45.455 -18.12993 62.43338 
1 1 1   20   11    3 o  366.310   27.008   42.500   5.1651   37.106   8.9789   45.167   6.3145  342.621   45.953  389.999   28.391 -47.37787 54.01625 
1 1 1   20   11    5 o  123.028   34.675   2.6462   3.7447   0.0231   4.9474   6.1649   5.7300  102.338   44.725  143.719   53.002 -41.38105 69.35074 
1 1 1   20   11    7 o  270.453   23.811   22.165   3.6271   21.548   4.7471   23.031   5.6222  267.200   31.153  273.707   36.018 -6.506531 47.62186 
1 1 1   20   11    9 o  351.563   26.103   40.440   3.6503   41.446   3.9867   35.222   9.0790  376.900   18.548  326.226   48.801 50.67377 52.20682 
1 1 1   20   11   11 o  122.063   35.425   2.8789   3.5571   1.7721   4.1572   5.9041   6.8732  102.959   42.834  141.167   56.435 -38.20877 70.84967 
1 1 1   20   11   13 f  108.270   40.794   3.3440   3.4303   3.3440   3.4303   0.0000   0.0000  108.270   40.794  ?   ?       ?      ? 
1 1 1   20   11   15 o  155.490   35.212   9.8130   3.7389   11.458   4.3071   4.7816   7.5318  180.446   42.548  130.535   56.119 49.91101 70.42481 
1 1 1   20   11   17 o  131.831   38.347   4.2406   3.0272   3.1738   3.1901   13.899   9.5984  101.765   39.099  161.896   65.979 -60.13116 76.69415 
1 1 1   20   11   19 o   81.411   35.850   0.6792   3.2325   0.6792   3.2325   0.0000   0.0000   81.411   35.850  ?   ?       ?      ? 
1 1 1   20   11   21 o   89.413   30.915  -3.0820   5.2723  -5.8589   7.6594  -0.5815   7.2682   85.088   42.146   93.739   45.240 -8.651253 61.82980 
1 1 1   20   11   23 o  102.163   33.430   5.9773   4.4706   7.0316   8.0028   5.4990   5.3900  103.166   49.167  101.161   45.309 2.005020 66.86089 
1 1 1   20   12    0 o  189.534   35.979   12.756   4.7527   12.756   4.7527   12.756   4.7527  189.534   50.881  189.534   50.881 -0.000000 0.000000 
1 1 1   20   12    2 o  338.387   21.684   34.485   4.1499   39.490   5.8854   29.536   5.8525  364.127   28.342  312.647   32.824 51.48041 43.36704 
1 1 1   20   12    4 o  540.559   25.691   89.788   7.8728   78.402   11.025  101.636   11.246  503.280   38.413  577.838   34.127 -74.55759 51.38279 
1 1 1   20   12    6 f  153.679   29.608   7.5933   3.0281   12.437   4.2209   2.4571   4.3465  197.026   38.946  110.331   44.606 86.69463 59.21555 
1 1 1   20   12    8 o  354.492   16.136   36.276   3.0900   39.781   5.3991   34.568   3.7682  365.151   25.927  343.832   19.217 21.31946 32.27266 
1 1 1   20   12   10 o  193.383   33.889   10.088   3.4927   6.2048   4.0290   21.831   7.0063  136.720   44.794  250.046   50.865 -113.3253 67.77728 
1 1 1   20   12   12 o  223.986   28.048   14.359   3.2755   23.379   6.2051   10.874   3.8566  267.011   40.750  180.961   38.550 86.05002 56.09554 
1 1 1   20   12   14 o  271.328   31.277   24.915   4.1581   24.197   4.8767   26.826   7.9583  277.372   30.830  265.284   54.429 12.08737 62.55352 
1 1 1   20   12   16 o  124.545   32.737   5.7471   3.0815   6.6341   3.4605   2.3496   6.7727  135.232   41.174  113.859   50.908 21.37290 65.47488 
1 1 1   20   12   18 o  118.402   34.484   4.7891   2.8176   4.7843   2.9353   4.8447   10.053  114.299   38.266  122.506   57.378 -8.207260 68.96703 
1 1 1   20   12   20 o  165.605   72.175   29.498   12.805   29.498   12.805   0.0000   0.0000  165.605   72.175  ?   ?       ?      ? 
1 1 1   20   12   22 o   92.708   31.591   1.8119   4.9243   0.2730   8.4311   2.6087   6.0665   92.213   45.399   93.203   43.940 -0.9902954 63.18125 
1 1 1   20   13    1 o  383.358   19.921   43.983   4.3386   39.580   6.1131   48.452   6.1584  363.135   29.519  403.581   26.757 -40.44589 39.84134 
1 1 1   20   13    3 o  189.506   40.609   11.847   4.9102   7.2635   6.3614   18.604   7.7233  151.217   55.830  227.794   58.986 -76.57710 81.21785 
1 1 1   20   13    5 o  117.773   34.411   2.7846   3.5648   3.4398   4.1979   1.0902   6.7504  115.848   44.759  119.697   52.279 -3.849419 68.82185 
1 1 1   20   13    7 o  263.626   28.176   22.549   3.9710   15.919   5.5684   29.410   5.6644  217.261   46.355  309.990   32.041 -92.72899 56.35125 
1 1 1   20   13    9 f  279.635   20.990   23.345   3.2677   21.596   4.1339   26.260   5.3349  267.499   27.099  291.772   32.062 -24.27377 41.97971 
1 1 1   20   13   11 o  186.189   39.482   13.165   5.0102   6.4570   7.1101   19.781   7.0611  141.613   57.121  230.765   54.522 -89.15125 78.96456 
1 1 1   20   13   13 o  233.424   33.511   20.183   3.6411   20.810   4.1355   18.022   7.6793  259.459   27.949  207.389   60.916 52.07019 67.02180 
1 1 1   20   13   15 o  120.474   33.107   4.9965   3.4468   6.7200   4.0868   0.7500   6.4149  134.334   45.151  106.613   48.432 27.72054 66.21403 
1 1 1   20   13   17 o   80.509   25.181   0.3382   2.3102   1.3616   2.9439  -1.3023   3.7273   84.274   35.615   76.744   35.607 7.529785 50.36113 
1 1 1   20   13   19 o  120.307   58.074   7.7520   11.991   7.7520   11.991   0.0000   0.0000  120.307   58.074  ?   ?       ?      ? 
1 1 1   20   13   21 o  100.667   50.256   2.1667   11.784   2.1667   11.784   0.0000   0.0000  100.667   50.256  ?   ?       ?      ? 
1 1 1   20   13   23 o  108.226   32.943   8.1246   3.8083   10.044   5.1721   5.8514   5.6283  119.356   48.514   97.096   44.581 22.25972 65.88695 
1 1 1   20   14    0 o  317.938   21.709   30.485   5.4474   30.485   5.4474   30.485   5.4474  317.938   30.701  317.938   30.701 0.000000 0.000000 
1 1 1   20   14    2 o  159.989   31.744   8.5844   3.0230   9.2347   4.2008   7.8860   4.3536  166.514   43.690  153.463   46.063 13.05112 63.48708 
1 1 1   20   14    4 o  104.319   31.961  -0.2566   3.8382   3.4744   4.7181  -7.5577   6.6001  118.622   46.969   90.016   43.359 28.60641 63.92265 
1 1 1   20   14    6 o  171.598   28.920   8.8508   3.1733   16.763   4.9018   3.1421   4.1636  230.752   37.249  112.444   44.250 118.3079 57.84068 
1 1 1   20   14    8 o  265.786   23.443   23.776   2.9723   18.087   5.3746   26.283   3.5674  233.327   41.933  298.245   20.974 -64.91812 46.88588 
1 1 1   20   14   10 o  479.641   17.090   70.019   4.4655   72.406   5.6183   65.926   7.3584  494.858   19.908  464.424   27.783 30.43350 34.17933 
1 1 1   20   14   12 o  254.520   42.937   25.533   6.0735   32.540   9.6886   20.998   7.7953  282.179   61.908  226.860   59.512 55.31883 85.87363 
1 1 1   20   14   14 o  387.191   17.730   46.776   3.5999   44.665   6.3783   47.763   4.3609  374.553   29.861  399.829   19.125 -25.27628 35.46042 
1 1 1   20   14   16 o  370.233   26.009   47.031   4.8137   46.552   5.6521   48.294   9.1847  383.793   25.824  356.673   45.155 27.11957 52.01746 
1 1 1   20   14   18 o  127.277   41.439   6.5950   3.4500   6.5950   3.4500   0.0000   0.0000  127.277   41.439  ?   ?       ?      ? 
1 1 1   20   14   20 o  117.364   37.975   6.7454   4.7712   3.2365   5.4253   18.722   10.023   97.003   44.249  137.725   61.730 -40.72215 75.95081 
1 1 1   20   14   22 o   95.722   32.420   4.9704   4.9961   7.9583   7.5099   2.5981   6.6918  102.171   48.385   89.273   43.163 12.89719 64.84005 
1 1 1   20   15    1 o  413.492   19.265   51.392   4.5397   50.781   6.2870   52.057   6.5619  411.271   26.805  415.714   27.679 -4.442383 38.53093 
1 1 1   20   15    3 o  383.303   28.093   47.031   6.1093   48.953   8.3718   44.842   8.9355  394.185   37.241  372.420   42.072 21.76489 56.18676 
1 1 1   20   15    5 o  149.326   30.843   7.2899   2.8298   5.2802   3.7502   9.9472   4.3123  127.725   43.250  170.928   43.983 -43.20263 61.68550 
1 1 1   20   15    7 o  163.434   33.433   9.4212   3.2721   9.2419   5.0899   9.5474   4.2718  160.564   50.120  166.305   44.261 -5.741013 66.86574 
1 1 1   20   15    9 o  193.027   29.364   12.259   3.2723   19.001   4.9877   7.1645   4.3358  243.434   35.928  142.621   46.456 100.8130 58.72824 
1 1 1   20   15   11 o  108.123   34.836   0.1078   4.5610   0.3010   7.6700   0.0021   5.6730  114.421   52.354  101.825   45.970 12.59601 69.67175 
1 1 1   20   15   13 o  337.035   23.653   33.923   3.7404   31.519   4.1863   43.437   8.3284  321.613   22.825  352.457   41.435 -30.84381 47.30545 
1 1 1   20   15   15 o  198.220   25.209   14.480   2.6476   8.5313   3.9330   19.409   3.5804  148.044   43.626  248.395   25.275 -100.3509 50.41877 
1 1 1   20   15   17 o  123.373   36.865   7.0041   4.7433   2.6039   7.0712   10.603   6.3955  105.808   49.075  140.938   55.025 -35.13021 73.72949 
1 1 1   20   15   19 o  121.042   58.534   14.161   12.320   14.161   12.320   0.0000   0.0000  121.042   58.534  ?   ?       ?      ? 
1 1 1   20   15   21 o   94.331   31.224   4.1656   4.2295   5.1151   5.7017   3.0037   6.3070   97.545   44.818   91.116   43.486 6.429703 62.44796 
1 1 1   20   16    0 o  220.607   27.832   15.851   4.4823   15.851   4.4823   15.851   4.4823  220.607   39.360  220.607   39.360 0.000000 0.000000 
1 1 1   20   16    2 o  396.975   19.029   47.667   4.3005   44.626   6.0824   50.708   6.0813  383.540   27.808  410.409   25.983 -26.86835 38.05757 
1 1 1   20   16    4 o  649.109   24.432  131.463   9.0080  118.197   12.164  147.576   13.405  612.662   34.814  685.555   34.288 -72.89197 48.86351 
1 1 1   20   16    6 o  275.610   24.888   24.454   3.8306   28.507   5.2947   20.003   5.5487  303.372   30.604  247.847   39.257 55.52440 49.77633 
1 1 1   20   16    8 o  119.638   31.759   4.4612   2.9006   4.9380   4.5157   4.1263   3.7847  123.916   46.778  115.361   42.970 8.555641 63.51821 
1 1 1   20   16   10 o  248.727   25.147   20.206   3.5661   20.431   5.1069   19.991   4.9820  249.830   35.844  247.624   35.279 2.206543 50.29344 
1 1 1   20   16   12 o  117.580   33.620   4.0663   3.7656   7.1216   4.9828  -0.0021   5.7498  135.492   49.507   99.668   45.499 35.82426 67.23911 
1 1 1   20   16   14 o  113.064   32.061   4.2646   2.8133   4.0817   3.1823   4.9191   6.0197  107.921   39.544  118.208   50.476 -10.28701 64.12186 
1 1 1   20   16   16 o  210.369   31.077   16.010   2.8396   15.071   3.1200   20.539   6.8541  216.407   25.281  204.331   56.780 12.07631 62.15378 
1 1 1   20   16   18 o   95.176   45.500   1.0991   6.9650   1.0991   6.9650   0.0000   0.0000   95.176   45.500  ?   ?       ?      ? 
1 1 1   20   16   20 o  101.438   32.940   6.0067   4.8528   8.8829   5.6498  -2.0849   9.4764  115.043   49.007   87.832   44.028 27.21118 65.87991 
1 1 1   20   17    1 o  388.827   19.666   46.189   4.3570   48.143   6.1506   44.221   6.1729  397.721   27.117  379.932   28.490 17.78879 39.33207 
1 1 1   20   17    3 o  204.767   36.120   15.032   4.3122   10.344   5.7567   21.026   6.5092  165.917   53.488  243.617   48.556 -77.69968 72.24012 
1 1 1   20   17    5 o  539.635   17.855   88.162   5.4891   82.952   7.6125   93.805   7.9222  522.683   25.538  556.588   24.959 -33.90515 35.70919 
1 1 1   20   17    7 o  248.560   24.029   18.811   3.2607   16.492   3.9830   23.524   5.6776  229.240   30.467  267.879   37.165 -38.63937 48.05704 
1 1 1   20   17    9 o  145.832   27.904   8.1101   2.4921   4.6344   4.3861   9.7671   3.0285  118.815   45.794  172.849   31.898 -54.03320 55.80877 
1 1 1   20   17   11 o  143.174   28.963   8.8565   3.4503  -6.2708   7.5000   12.917   3.8859   92.572   44.978  193.777   36.503 -101.2048 57.92686 
1 1 1   20   17   13 o  148.614   30.557   8.1003   2.6784   6.3906   3.3419   11.171   4.4785  129.902   40.622  167.327   45.660 -37.42519 61.11414 
1 1 1   20   17   15 o  148.589   32.676   9.2634   2.6495   9.0655   2.8391   10.599   7.3744  160.744   32.094  136.434   56.929 24.31042 65.35276 
1 1 1   20   17   17 o   95.717   46.240   0.5543   7.6389   0.5543   7.6389   0.0000   0.0000   95.717   46.240  ?   ?       ?      ? 
1 1 1   20   17   19 o  104.167   33.722   6.7456   4.5154   6.9608   5.7126   6.3875   7.3714  106.510   47.241  101.824   48.136 4.685402 67.44483 
1 1 1   20   18    0 o   89.198   35.441   3.6897   3.8603   3.6897   3.8603   3.6897   3.8603   89.198   50.121   89.198   50.121 -0.000000 0.000000 
1 1 1   20   18    2 o  332.233   32.136   38.485   5.7810   30.074   8.1272   47.098   8.2248  285.781   51.774  378.684   38.085 -92.90234 64.27279 
1 1 1   20   18    4 o  300.176   22.314   28.526   3.8110   26.682   5.4148   30.336   5.3646  289.352   32.814  311.000   30.247 -21.64722 44.62798 
1 1 1   20   18    6 o   83.679   25.876   0.3515   2.3376   0.7798   3.0693  -0.2402   3.6071   84.029   35.966   83.328   37.212 0.7001801 51.75264 
1 1 1   20   18    8 o   98.573   29.011   2.2329   2.6271   2.5459   3.2269   1.6176   4.5239   97.469   38.765   99.677   43.172 -2.207657 58.02189 
1 1 1   20   18   10 o   95.070   28.296   1.5818   2.8039   3.8385   3.6206  -1.7997   4.4320  107.970   41.609   82.169   38.359 25.80149 56.59225 
1 1 1   20   18   12 o  102.666   32.524   1.6913   3.6328   0.3182   4.3728   4.7502   6.5267   88.622   40.152  116.710   51.178 -28.08807 65.04898 
1 1 1   20   18   14 o   77.336   24.274   0.5286   2.1344   1.3827   2.6001  -1.2364   3.7376   79.675   33.560   74.996   35.081 4.679405 48.54826 
1 1 1   20   18   16 o  104.698   31.348   3.8173   2.4613   3.2234   2.6382   7.8061   6.8373   93.236   35.619  116.161   51.594 -22.92456 62.69541 
1 1 1   20   18   18 o   88.568   43.891  -0.5818   8.3436  -0.5818   8.3436   0.0000   0.0000   88.568   43.891  ?   ?       ?      ? 
1 1 1   20   19    1 o  400.755   19.235   49.845   4.3868   53.396   6.2137   46.316   6.1941  416.190   26.180  385.320   28.188 30.86954 38.46992 
1 1 1   20   19    3 o  182.412   36.549   11.541   4.0957   6.4453   5.0657   21.161   6.9601  132.656   49.653  232.168   53.646 -99.51196 73.09780 
1 1 1   20   19    5 o  238.730   24.321   18.659   3.2984   17.935   4.4449   19.546   4.9207  234.663   33.214  242.796   35.538 -8.133698 48.64275 
1 1 1   20   19    7 o   98.043   30.117   1.5556   3.0756   0.9854   3.9785   2.4024   4.8483   91.555   40.057  104.531   44.984 -12.97530 60.23390 
1 1 1   20   19    9 o  109.206   31.286   3.3648   2.9873   1.6062   3.7847   6.2712   4.8654   92.426   39.760  125.987   48.315 -33.56075 62.57104 
1 1 1   20   19   11 o   88.657   29.939  -1.5878   3.7373  -2.7238   7.6288  -1.2291   4.2869   96.347   46.461   80.966   37.773 15.38131 59.87831 
1 1 1   20   19   13 o  138.061   31.526   8.1015   2.8815   6.0058   3.8636   10.728   4.3254  118.810   43.567  157.311   45.579 -38.50186 63.05131 
1 1 1   20   19   15 o  106.215   26.704   2.6455   2.2543  -0.7845   2.7434   9.7772   3.9557   65.567   30.464  146.863   43.868 -81.29688 53.40861 
1 1 1   20   19   17 o   98.760   47.405   5.2673   7.7310   5.2673   7.7310   0.0000   0.0000   98.760   47.405  ?   ?       ?      ? 
1 1 1   20   20    0 o   47.768   23.477  -2.2865   3.1957  -2.2865   3.1957  -2.2865   3.1957   47.768   33.202   47.768   33.202 -0.000000 0.000000 
1 1 1   20   20    2 o  185.411   38.440   13.506   4.2818   9.8384   5.3624   19.957   7.1126  154.408   51.721  216.414   56.882 -62.00662 76.88058 
1 1 1   20   20    4 o  253.969   22.659   21.083   3.2695   18.899   4.5437   23.427   4.7082  239.002   33.336  268.935   30.699 -29.93234 45.31767 
1 1 1   20   20    6 o  176.812   28.562   11.413   2.8256   9.8890   3.9196   13.063   4.0769  162.402   42.006  191.222   38.713 -28.81982 57.12449 
1 1 1   20   20    8 o  123.833   31.922   6.0884   2.9102   6.1881   3.7558   5.9387   4.6039  125.673   43.269  121.994   46.946 3.678131 63.84489 
1 1 1   20   20   10 o   82.843   26.104   0.0352   2.7024   2.5768   3.4262  -4.1488   4.3960   94.027   38.983   71.658   34.728 22.36895 52.20826 
1 1 1   20   20   12 o  132.851   39.218   6.9504   5.1823   21.742   8.7499  -1.0420   6.4318  175.058   65.310   90.644   43.437 84.41360 78.43568 
1 1 1   20   20   14 o   67.211   21.635  -1.2503   2.0895   1.7764   2.6054  -6.7060   3.4981   79.934   33.628   54.488   27.229 25.44614 43.26937 
1 1 1   20   20   16 o   55.755   19.220  -2.0342   1.7290  -1.1093   1.9178  -6.0497   3.9962   52.537   24.749   58.974   29.413 -6.437645 38.44046 
1 1 1   20   21    1 o  187.584   39.263   15.797   4.5014   15.224   6.3903   16.360   6.3418  182.991   56.001  192.177   55.047 -9.186569 78.52543 
1 1 1   20   21    3 o  183.953   29.690   12.678   3.0477   11.737   4.2356   13.688   4.3886  175.805   42.676  192.102   41.288 -16.29659 59.37972 
1 1 1   20   21    5 o   81.647   25.936  -0.0036   2.5407  -1.1493   3.5588   1.1875   3.6285   75.438   34.927   87.856   38.351 -12.41791 51.87235 
1 1 1   20   21    7 o  109.229   29.890   4.4509   2.6594   4.8500   3.6571   4.0032   3.8741  112.448   42.169  106.009   42.373 6.439346 59.78087 
1 1 1   20   21    9 o  113.673   30.475   5.3065   2.7197   5.0834   4.0140   5.4959   3.6979  111.754   43.603  115.593   42.586 -3.838814 60.94919 
1 1 1   20   21   11 o  140.623   29.260   7.5393   2.5377   12.897   4.2919   4.6593   3.1466  174.286   43.359  106.960   39.302 67.32617 58.52049 
1 1 1   20   21   13 o  102.248   31.619   0.7025   3.8923  -7.2468   5.0221   12.660   6.1595   65.803   32.844  138.693   54.041 -72.88992 63.23886 
1 1 1   20   21   15 o   95.245   25.002   1.6279   2.2725  -3.3582   2.9558   8.8353   3.5538   55.823   27.362  134.667   41.853 -78.84421 50.00402 
1 1 1   20   22    0 o  354.886   27.981   42.096   7.7538   42.096   7.7538   42.096   7.7538  354.886   39.571  354.886   39.571 0.000000 0.000000 
1 1 1   20   22    2 o   91.740   29.132   1.1129   3.1523   1.9500   3.9209  -0.4176   5.3013   93.029   40.242   90.452   42.134 2.577278 58.26372 
1 1 1   20   22    4 o  263.098   23.643   24.134   3.5159   22.656   5.1724   25.404   4.7937  251.786   36.022  274.409   30.632 -22.62309 47.28560 
1 1 1   20   22    6 o  143.286   31.862   8.8488   2.9085   9.5809   4.1801   8.1617   4.0496  149.224   45.213  137.347   44.905 11.87662 63.72346 
1 1 1   20   22    8 o   87.078   25.674   1.9514   2.2212   3.6178   3.0551   0.0830   3.2350   98.545   38.153   75.611   34.366 22.93433 51.34853 
1 1 1   20   22   10 o  119.796   29.848   6.2758   2.4776   5.3996   3.1454   7.7081   4.0216  112.438   39.547  127.155   44.717 -14.71724 59.69542 
1 1 1   20   22   12 o  140.915   39.349   12.108   4.0877   22.007   8.7490   9.3443   4.6233  152.389   62.649  129.441   47.629 22.94810 78.69816 
1 1 1   20   22   14 o   63.614   21.317  -1.5613   2.2320   0.8098   2.6260  -7.7334   4.2367   70.158   31.510   57.069   28.719 13.08821 42.63434 
1 1 1   20   23    1 o  142.796   37.501   10.553   3.9942   9.8708   4.9926   11.766   6.6575  142.686   49.844  142.906   56.044 -0.2196655 75.00249 
1 1 1   20   23    3 o  130.582   30.056   7.2822   2.8306   10.518   3.9465   3.8542   4.0623  159.148   42.627  102.016   42.384 57.13219 60.11222 
1 1 1   20   23    5 o  144.224   37.799   10.430   3.7599   15.488   7.5131   8.7400   4.3429  152.153   59.574  136.294   46.541 15.85863 75.59828 
1 1 1   20   23    7 o  152.396   32.138   10.738   3.0155   11.593   4.2832   9.8980   4.2461  159.989   45.038  144.803   45.859 15.18611 64.27623 
1 1 1   20   23    9 o  156.605   31.388   11.601   3.0605   14.850   4.4030   8.5632   4.2570  183.978   42.775  129.232   45.947 54.74588 62.77654 
1 1 1   20   23   11 o  138.016   31.358   9.6968   2.8034   9.5726   4.1242   9.8036   3.8222  134.583   45.357  141.450   43.314 -6.866791 62.71635 
1 1 1   20   23   13 o   84.721   40.256  -2.7150   4.3972 -13.9758   7.9302   2.2841   5.2838  ?   ?    84.721   40.256      ?      ? 
1 1 1   20   24    2 o  106.429   29.658   4.9342   2.6550   4.5241   3.7899   5.3295   3.7206  103.343   41.697  109.515   42.186 -6.171936 59.31524 
1 1 1   20   24    4 o  233.421   26.508   21.343   3.4180   19.049   4.8360   23.634   4.8317  214.502   41.028  252.340   33.575 -37.83836 53.01530 
1 1 1   20   24    6 o  233.736   27.269   22.208   3.4624   18.784   5.0180   25.320   4.7836  205.317   44.167  262.154   31.997 -56.83763 54.53898 
1 1 1   20   24    8 o   78.275   25.228   0.7989   2.5466   2.5033   3.5496  -1.0089   3.6557   86.074   37.743   70.477   33.487 15.59708 50.45698 
1 1 1   20   24   10 o   96.981   27.788   4.0195   2.4991   7.3109   3.7897   1.4870   3.3243  116.189   43.054   77.772   35.143 38.41756 55.57543 
1 1 1   20   25    1 o   88.480   29.521   1.3272   3.7184   4.0670   6.1130  -0.2820   4.6847   97.389   45.325   79.570   37.837 17.81895 59.04188 
1 1 1   20   25    3 o  182.043   32.337   16.248   3.4025   17.795   4.5574   14.300   5.1145  203.401   40.709  160.685   50.254 42.71558 64.67382 
1 1 1   20   25    5 o  129.606   31.566   8.9997   2.9255   7.3025   4.2872   10.479   4.0020  114.529   44.956  144.684   44.323 -30.15575 63.13126 
1 1 1   20   25    7 o  126.243   29.816   8.5646   2.8790   11.829   3.9053   4.6789   4.2608  156.558   42.603   95.929   41.723 60.62855 59.63117 
1 1 1   20   25    9 o  123.754   32.269   9.4067   3.0199   8.7179   4.2979   10.078   4.2441  118.043   45.376  129.465   45.894 -11.42191 64.53857 
1 1 1   20   26    0 o   63.979   31.344  -0.0000   5.5790  -0.0000   5.5790  -0.0000   5.5790   63.979   44.326   63.979   44.326 0.000000 0.000000 
1 1 1   20   26    2 o   77.506   26.582  -4.0657   3.4062   6.6807   5.5656 -10.5012   4.3070  101.661   45.747   53.350   27.085 48.31054 53.16417 
1 1 1   20   26    4 o  129.686   32.413   9.8686   2.9937   9.8014   4.3215   9.9305   4.1512  127.840   46.197  131.533   45.478 -3.693176 64.82613 
1 1 1   21    0    1 o  199.456   58.257   17.651   9.2991   17.651   9.2991   17.651   9.2991  199.456   82.388  199.456   82.388 0.000000 0.000000 
1 1 1   21    0    3 o  349.243   26.731   37.098   7.3059   37.098   7.3059   37.098   7.3059  349.243   37.804  349.243   37.804 0.000000 0.000000 
1 1 1   21    0    5 o  487.614   22.010   70.255   8.5749   70.255   8.5749   70.255   8.5749  487.614   31.127  487.614   31.127 -0.000000 0.000000 
1 1 1   21    0    7 o  711.421   15.535  146.664   8.8941  146.664   8.8941  146.664   8.8941  711.421   21.969  711.421   21.969 -0.000000 0.000000 
1 1 1   21    0    9 o   55.910   27.130  -2.3229   3.9449  -2.3229   3.9449  -2.3229   3.9449   55.910   38.367   55.910   38.367 -0.000000 0.000000 
1 1 1   21    0   11 o  116.013   46.969   6.3944   6.9508   6.3944   6.9508   6.3944   6.9508  116.013   66.424  116.013   66.424 0.000000 0.000000 
1 1 1   21    0   15 o   85.818   39.812   0.9799   6.9055   0.9799   6.9055   0.9799   6.9055   85.818   56.303   85.818   56.303 -0.000000 0.000000 
1 1 1   21    0   21 o   63.744   32.133  -5.5278   7.3095  -5.5278   7.3095  -5.5278   7.3095   63.744   45.444   63.744   45.444 -0.000000 0.000000 
1 1 1   21    0   23 o   71.994   30.996   2.7727   3.3794   2.7727   3.3794   2.7727   3.3794   71.994   43.836   71.994   43.836 -0.000000 0.000000 
1 1 1   21    1    2 o  461.470   26.505   60.512   6.6720   51.164   8.1173   79.983   11.715  412.270   34.525  510.670   40.225 -98.40021 53.00943 
1 1 1   21    1    4 o  571.194   20.323   96.828   6.6110   90.701   9.3032  103.079   9.3963  552.309   29.536  590.078   27.922 -37.76910 40.64547 
1 1 1   21    1    6 o  421.022   18.969   51.720   3.9771   50.921   4.6049   54.064   7.8906  418.464   19.296  423.581   32.665 -5.116486 37.93861 
1 1 1   21    1    8 o  175.254   27.004   9.5473   2.7055   13.289   4.0288   6.4739   3.6512  208.919   33.815  141.588   42.112 67.33090 54.00807 
1 1 1   21    1   10 o  106.784   32.505   1.3618   3.0638   1.5524   3.4400   0.6304   6.7378   96.161   39.379  117.408   51.727 -21.24667 65.01096 
1 1 1   21    1   12 f  315.586   35.804   30.121   5.1584   42.584   11.620   27.062   5.7567  336.343   62.893  294.828   34.238 41.51431 71.60855 
1 1 1   21    1   14 o  360.366   38.509   50.496   5.9348   38.698   12.082   54.248   6.8135  300.144   71.588  420.589   28.407 -120.4457 77.01806 
1 1 1   21    1   16 o  119.329   33.207   3.6436   3.6032  -0.4184   5.0864   7.7354   5.1050   95.467   43.274  143.190   50.380 -47.72334 66.41358 
1 1 1   21    1   20 o  166.807   40.799   13.086   4.5781   21.721   8.0040   8.8874   5.5811  197.527   63.006  136.087   51.852 61.43977 81.59883 
1 1 1   21    1   22 o  112.564   34.338   6.5640   4.0344   5.7288   5.8227   7.3353   5.5952  108.533   47.938  116.595   49.177 -8.061981 68.67593 
1 1 1   21    1   24 o  174.363   30.525   14.880   3.0814   12.521   4.5354   16.901   4.1995  150.355   47.372  198.372   38.510 -48.01703 61.05043 
1 1 1   21    2    1 o  537.050   29.238   85.528   8.9549   85.528   8.9549   0.0000   0.0000  537.050   29.238  ?   ?       ?      ? 
1 1 1   21    2    3 o  560.087   26.184   99.145   7.6523  106.561   9.3819   84.404   13.227  600.534   27.394  519.641   44.633 80.89252 52.36901 
1 1 1   21    2    5 o  677.006   17.398  133.795   6.6123  129.430   8.5678  140.224   10.398  665.055   22.590  688.956   26.465 -23.90112 34.79547 
1 1 1   21    2    7 f  514.768   17.417   78.138   5.0802   90.019   7.3188   67.090   7.0573  553.502   23.186  476.033   25.996 77.46869 34.83383 
1 1 1   21    2    9 o  383.721   34.066   52.757   5.6627   57.265   6.5304   39.094   11.369  438.694   26.103  328.747   62.933 109.9478 68.13165 
1 1 1   21    2   11 o  501.694   19.156   75.994   5.4458   80.224   7.4484   71.136   7.9822  518.502   25.190  484.886   28.866 33.61581 38.31157 
1 1 1   21    2   13 o  195.102   32.395   12.895   3.5207   10.879   4.6106   15.715   5.4526  176.990   45.444  213.214   46.179 -36.22371 64.78990 
1 1 1   21    2   15 o  234.109   51.502   26.379   8.2348   16.508   11.378   37.238   11.934  182.369   72.709  285.849   72.960 -103.4796 103.0034 
1 1 1   21    2   17 o  209.652   44.400   20.100   5.4464   21.874   11.191   19.550   6.2346  193.767   73.520  225.536   49.803 -31.76903 88.80034 
1 1 1   21    2   19 o  169.346   42.020   16.403   5.9295   8.0832   10.505   20.293   7.1833  131.329   60.523  207.364   58.307 -76.03560 84.03999 
1 1 1   21    2   21 o   90.782   30.492  -1.2127   4.0887  -4.2634   5.1895   3.7804   6.6392   75.876   36.989  105.688   48.487 -29.81169 60.98478 
1 1 1   21    2   23 o  105.800   31.922   4.4367   2.9227   2.5333   3.3378   10.693   6.0515   86.402   37.253  125.199   51.849 -38.79636 63.84423 
1 1 1   21    3    0 o  125.201   52.483   6.6219   9.1885   6.6219   9.1885   6.6219   9.1885  125.201   74.222  125.201   74.222 -0.000000 0.000000 
1 1 1   21    3    2 o  507.575   30.010   76.658   8.6869   76.658   8.6869   0.0000   0.0000  507.575   30.010  ?   ?       ?      ? 
1 1 1   21    3    4 o  438.435   27.163   64.948   4.6788   67.997   5.1278   49.791   11.435  484.118   18.573  392.753   51.052 91.36490 54.32512 
1 1 1   21    3    6 o   87.008   28.069  -2.0182   3.0520  -2.3978   4.0324  -1.5092   4.6696   81.547   37.550   92.468   41.729 -10.92145 56.13712 
1 1 1   21    3    8 o  111.984   35.425  -0.0563   3.4307  -0.5386   3.7372   2.5269   8.6491   86.650   38.332  137.318   59.584 -50.66805 70.84951 
1 1 1   21    3   10 o  356.613   17.851   38.996   3.5077   44.944   4.6710   31.304   5.3118  391.106   20.942  322.119   28.916 68.98734 35.70287 
1 1 1   21    3   12 o  175.933   38.293   11.804   4.4969   14.653   5.6751   6.9981   7.3716  204.281   49.282  147.585   58.624 56.69611 76.58629 
1 1 1   21    3   14 o  172.992   31.663   10.204   3.4056   5.1706   4.5907   16.365   5.0788  126.565   47.288  219.418   42.119 -92.85355 63.32612 
1 1 1   21    3   16 o  111.146   46.851   2.9492   5.0735   2.9492   5.0735   0.0000   0.0000  111.146   46.851  ?   ?       ?      ? 
1 1 1   21    3   20 o  110.962   33.494   4.5151   3.8960   6.6357   5.1563   1.6936   5.9476  122.103   48.857   99.821   45.831 22.28237 66.98888 
1 1 1   21    3   22 o   94.985   31.977  -0.7685   4.7051  -7.3972   6.1430   8.6390   7.3183   73.350   36.565  116.620   52.470 -43.27033 63.95413 
1 1 1   21    3   24 o   88.508   27.646   3.1851   2.8114   4.8247   3.8894   1.3911   4.0683   97.122   40.984   79.894   37.113 17.22835 55.29140 
1 1 1   21    4    1 o  440.767   30.252   63.551   6.7877   69.170   8.2391   51.680   11.975  482.018   29.972  399.517   52.559 82.50171 60.50436 
1 1 1   21    4    3 o  602.611   23.025  115.798   5.8977  119.841   6.5442   98.318   13.608  643.125   17.843  562.097   42.452 81.02832 46.04965 
1 1 1   21    4    5 o  381.443   29.333   49.540   4.2307   51.449   4.5964   38.955   10.823  420.620   19.162  342.266   55.448 78.35406 58.66601 
1 1 1   21    4    7 o  631.445   21.617  116.559   5.8809  114.748   6.4591  125.335   14.221  628.340   18.025  634.551   39.297 -6.211182 43.23421 
1 1 1   21    4    9 o  616.464   23.248  119.721   6.1835  122.017   6.8639  109.838   14.244  646.730   18.610  586.198   42.609 60.53131 46.49579 
1 1 1   21    4   11 o  372.871   32.236   46.797   6.0544   48.353   7.2083   43.071   11.156  396.703   31.862  349.038   56.048 47.66562 64.47105 
1 1 1   21    4   13 o  183.010   29.075   12.688   2.8416   14.694   3.3465   7.5063   5.3800  220.092   26.662  145.927   51.678 74.16441 58.15040 
1 1 1   21    4   15 o  200.839   33.850   14.771   3.8036   14.684   5.7485   14.838   5.0729  197.320   50.786  204.359   44.766 -7.039322 67.69944 
1 1 1   21    4   17 o  172.990   70.100   17.295   10.762   17.295   10.762   0.0000   0.0000  172.990   70.100  ?   ?       ?      ? 
1 1 1   21    4   19 o  212.104   38.789   25.191   5.3499   27.016   5.9060   16.844   12.630  275.073   37.649  149.136   67.829 125.9373 77.57706 
1 1 1   21    4   21 o  115.550   36.071   5.4474   4.4294   1.9678   5.4455   12.251   7.6147   95.353   43.807  135.747   57.318 -40.39412 72.14167 
1 1 1   21    4   23 o  115.637   34.977   6.2265   3.1640   4.3533   3.4418   16.444   8.0386   98.142   39.687  133.133   57.606 -34.99164 69.95351 
1 1 1   21    5    0 o  367.892   16.663   39.599   4.8975   39.599   4.8975   39.599   4.8975  367.892   23.565  367.892   23.565 -0.000000 0.000000 
1 1 1   21    5    2 o  473.116   27.834   70.185   6.9039   72.610   8.3942   65.115   12.137  493.438   29.830  452.793   47.002 40.64487 55.66894 
1 1 1   21    5    4 o  238.680   36.743   22.812   4.6412   27.216   5.3975   10.315   9.0915  301.001   31.443  176.359   66.419 124.6424 73.48612 
1 1 1   21    5    6 o  427.863   18.957   54.504   4.6149   57.260   6.4368   51.588   6.6199  439.736   25.667  415.989   27.905 23.74747 37.91427 
1 1 1   21    5    8 o  441.200   25.249   55.375   5.6071   50.429   6.4407   70.857   11.395  410.588   27.507  471.813   42.350 -61.22577 50.49893 
1 1 1   21    5   10 o  352.038   33.967   42.772   5.7860   45.039   6.9090   37.451   10.588  383.643   31.579  320.433   60.147 63.21017 67.93324 
1 1 1   21    5   12 o  197.571   29.678   12.871   3.3945   20.038   5.0679   7.0391   4.5715  252.095   35.251  143.047   47.755 109.0483 59.35667 
1 1 1   21    5   14 o  242.938   24.766   18.696   3.3100   18.049   4.1508   19.827   5.4858  240.657   30.244  245.220   39.227 -4.563263 49.53259 
1 1 1   21    5   16 o  218.162   43.154   22.675   5.9032   25.334   7.1596   17.030   10.432  258.279   50.418  178.046   70.051 80.23242 86.30811 
1 1 1   21    5   18 o   91.611   31.038  -1.6235   3.9281   0.2182   4.1993 -14.5174   11.111   87.828   39.610   95.394   47.797 -7.565575 62.07643 
1 1 1   21    5   20 o  101.426   33.613   0.9730   4.6291  -1.7240   5.7755   5.8183   7.7411   87.101   41.582  115.751   52.822 -28.65010 67.22521 
1 1 1   21    5   22 o   77.757   27.283  -4.7369   4.3392  -4.3127   5.2593  -5.6412   7.6789   73.297   36.042   82.217   40.969 -8.920021 54.56620 
1 1 1   21    5   24 o   88.987   29.518   3.5725   3.8049   0.6570   7.9474   4.4395   4.3339   85.230   42.339   92.744   41.141 -7.514275 59.03523 
1 1 1   21    6    1 o  303.511   24.218   30.946   3.2594   22.624   6.7936   33.434   3.7148  267.916   44.464  339.105   19.209 -71.18896 48.43568 
1 1 1   21    6    3 o  422.447   32.519   53.849   7.8343   53.849   7.8343   0.0000   0.0000  422.447   32.519  ?   ?       ?      ? 
1 1 1   21    6    5 o  282.236   34.361   27.339   4.0389   28.152   4.4855   23.856   9.2856  308.404   25.503  256.067   63.815 52.33716 68.72250 
1 1 1   21    6    7 o  424.651   29.190   62.034   5.7085   67.360   6.6218   46.623   11.264  477.081   24.338  372.222   53.065 104.8581 58.38028 
1 1 1   21    6    9 o  153.823   34.250   7.6896   3.4838   11.271   5.1819   4.7362   4.7060  180.479   49.060  127.167   47.807 53.31235 68.50092 
1 1 1   21    6   11 o  184.857   49.599   12.118   5.3374   12.118   5.3374   0.0000   0.0000  184.857   49.599  ?   ?       ?      ? 
1 1 1   21    6   13 o  189.583   33.538   14.999   3.1133   16.067   3.3297   7.5791   8.7788  230.366   25.345  148.800   62.104 81.56564 67.07630 
1 1 1   21    6   15 o  108.882   34.380   1.8320   3.7462   2.7587   4.0745  -3.2340   9.5269  104.947   42.904  112.816   53.733 -7.869377 68.76017 
1 1 1   21    6   17 o  100.571   45.993   0.3810   5.9086   0.3810   5.9086   0.0000   0.0000  100.571   45.993  ?   ?       ?      ? 
1 1 1   21    6   19 o  171.928   50.579   24.732   8.5596   29.782   11.750   19.022   12.495  193.314   74.829  150.542   68.069 42.77197 101.1571 
1 1 1   21    6   21 f  103.201   33.388   2.9689   4.8512  -4.7829   7.4729   8.6152   6.3778   85.000   42.016  121.401   51.901 -36.40181 66.77655 
1 1 1   21    6   23 o  110.361   34.908   9.0885   4.6473   7.6344   7.8453   9.8746   5.7682  102.656   48.857  118.067   49.872 -15.41103 69.81564 
1 1 1   21    7    0 o  330.731   25.011   33.276   6.4790   33.276   6.4790   33.276   6.4790  330.731   35.371  330.731   35.371 -0.000000 0.000000 
1 1 1   21    7    2 o  331.875   31.925   40.111   4.4764   44.590   5.1534   26.343   9.0348  389.539   23.198  274.212   59.486 115.3265 63.84910 
1 1 1   21    7    4 o  248.159   34.965   17.952   4.3761   14.408   5.0919   27.966   8.5592  210.060   43.918  286.258   54.420 -76.19714 69.93097 
1 1 1   21    7    6 o  255.260   35.217   20.290   4.4552   18.585   5.1512   25.352   8.8758  244.860   36.889  265.660   60.002 -20.80067 70.43478 
1 1 1   21    7    8 o  209.823   37.561   13.861   3.8023   12.631   4.2405   18.909   8.5887  197.542   39.025  222.105   64.190 -24.56305 75.12196 
1 1 1   21    7   10 o  137.063   38.059   4.8870   3.7880   3.8112   4.3198   8.4667   7.8802  117.626   45.416  156.500   61.085 -38.87389 76.11813 
1 1 1   21    7   12 o  214.030   31.131   14.232   3.7997   14.232   3.7997   0.0000   0.0000  214.030   31.131  ?   ?       ?      ? 
1 1 1   21    7   14 o  151.142   35.629   9.0740   3.5987   10.075   4.0134   4.9655   8.1291  169.406   41.799  132.878   57.712 36.52785 71.25877 
1 1 1   21    7   16 o  131.350   38.126   5.9288   5.3579   10.745   6.3663  -5.7668   9.9202  156.557   56.133  106.144   51.608 50.41326 76.25172 
1 1 1   21    7   18 o  193.171   51.179   16.075   5.7282   16.075   5.7282   0.0000   0.0000  193.171   51.179  ?   ?       ?      ? 
1 1 1   21    7   20 o  151.949   36.349   11.571   3.6929   10.847   4.7089   12.728   5.9517  151.563   48.325  152.336   54.311 -0.7731781 72.69788 
1 1 1   21    7   22 o   74.694   25.612  -1.6629   3.1311  -1.4753   3.7110  -2.1266   5.8338   69.668   33.280   79.720   38.941 -10.05234 51.22398 
1 1 1   21    8    1 o  141.288   35.616   6.1950   3.6233   5.7551   5.1190   6.6367   5.1293  137.972   50.215  144.604   50.521 -6.632690 71.23126 
1 1 1   21    8    3 o  407.886   26.265   50.557   5.9367   47.742   7.4792   55.351   9.7607  396.080   33.112  419.692   40.781 -23.61246 52.53049 
1 1 1   21    8    5 o  373.548   24.357   40.606   4.0497   39.271   4.4755   46.636   9.5125  365.683   21.461  381.414   43.733 -15.73126 48.71460 
1 1 1   21    8    7 o  298.074   27.925   24.991   3.8255   22.962   4.2347   33.995   8.9204  276.834   26.823  319.315   48.986 -42.48019 55.84926 
1 1 1   21    8    9 o  105.459   33.640  -0.6614   3.8124  -1.4318   4.4700   1.3944   7.3017   88.883   40.397  122.035   53.803 -33.15164 67.28041 
1 1 1   21    8   11 o  124.944   34.320   4.7268   3.5867   6.4111   4.0685  -1.1476   7.5980  137.018   45.019  112.869   51.814 24.14935 68.64010 
1 1 1   21    8   13 o  256.837   33.675   21.796   3.7459   20.779   4.1420   26.363   8.7777  259.362   28.003  254.313   61.252 5.048981 67.34985 
1 1 1   21    8   15 o  156.072   40.001   10.634   4.6446   11.518   5.6718   8.8363   8.0924  167.523   52.996  144.621   59.931 22.90204 80.00164 
1 1 1   21    8   17 o  155.488   37.510   12.279   4.7706   15.097   5.4575   3.1515   9.8222  191.272   49.611  119.705   56.272 71.56741 75.01928 
1 1 1   21    8   19 o  138.535   49.044   9.0542   4.8452   9.0542   4.8452   0.0000   0.0000  138.535   49.044  ?   ?       ?      ? 
1 1 1   21    8   21 o   67.481   23.596  -4.2813   2.9173  -4.5610   3.4638  -3.5986   5.4112   59.035   29.072   75.927   37.175 -16.89130 47.19267 
1 1 1   21    8   23 o   54.887   20.076  -4.7385   1.8767  -4.7866   1.9994  -4.3822   5.4416   39.694   19.942   70.079   34.850 -30.38471 40.15205 
1 1 1   21    9    0 o  202.900   37.901   14.729   5.3583   14.729   5.3583   14.729   5.3583  202.900   53.600  202.900   53.600 -0.000000 0.000000 
1 1 1   21    9    2 o  169.499   41.345   9.7216   4.8712   7.4221   6.5003   12.667   7.3569  152.101   56.381  186.896   60.489 -34.79504 82.69063 
1 1 1   21    9    4 o  338.607   19.610   35.688   3.3167   37.392   3.9180   31.378   6.2304  357.741   19.204  319.472   34.197 38.26920 39.22033 
1 1 1   21    9    6 o  197.746   37.681   12.981   4.0272   11.603   4.7525   16.491   7.5842  185.317   45.341  210.176   60.197 -24.85896 75.36231 
1 1 1   21    9    8 o  360.137   26.676   41.373   4.2696   41.643   4.7739   40.297   9.5444  374.875   22.330  345.399   48.454 29.47580 53.35233 
1 1 1   21    9   10 o  193.527   36.731   10.873   3.7069   7.7226   4.2215   21.486   7.7475  148.992   45.503  238.063   57.674 -89.07065 73.46281 
1 1 1   21    9   12 o  346.013   16.781   37.513   3.1519   42.781   4.0994   29.897   4.9294  380.381   18.898  311.645   27.736 68.73553 33.56187 
1 1 1   21    9   14 o  193.068   38.180   16.316   4.5580   18.375   5.4771   11.677   8.2202  226.285   44.027  159.852   62.390 66.43390 76.36025 
1 1 1   21    9   16 o  155.665   42.252   12.498   5.8774   16.450   7.4041   5.7662   9.6638  183.025   60.761  128.306   58.729 54.71890 84.50465 
1 1 1   21    9   18 o  208.535   47.527   18.165   5.5263   18.165   5.5263   0.0000   0.0000  208.535   47.527  ?   ?       ?      ? 
1 1 1   21    9   20 o  113.687   46.512   6.3478   4.7932   6.3478   4.7932   0.0000   0.0000  113.687   46.512  ?   ?       ?      ? 
1 1 1   21    9   22 o   65.227   22.380  -3.0308   2.7479  -0.1109   3.2571 -10.2414   5.1184   70.438   32.883   60.016   30.366 10.42141 44.75904 
1 1 1   21   10    1 o  109.086   31.796   2.0961   3.2115   2.8857   4.5510   1.3129   4.5325  113.984   45.797  104.188   44.120 9.795876 63.59135 
1 1 1   21   10    3 f  279.356   35.651   26.131   5.4472   18.280   7.3317   35.805   8.1381  224.990   57.058  333.722   42.761 -108.7326 71.30276 
1 1 1   21   10    5 f  567.720   14.176   93.314   4.4718  100.405   7.2914   89.039   5.6616  583.168   21.924  552.272   17.976 30.89606 28.35139 
1 1 1   21   10    7 o  319.516   28.840   31.811   4.9104   29.741   5.9086   36.433   8.8285  309.415   33.485  329.617   46.966 -20.20206 57.68055 
1 1 1   21   10    9 o  244.567   35.071   20.064   4.4111   18.638   5.2279   23.590   8.2190  240.608   38.100  248.526   58.892 -7.918320 70.14159 
1 1 1   21   10   11 o  186.249   33.457   13.459   3.1630   14.181   3.4745   9.9666   7.6428  214.352   28.423  158.146   60.577 56.20558 66.91341 
1 1 1   21   10   13 o  170.215   32.515   12.240   3.4491   14.035   3.8861   5.5743   7.4872  208.814   32.633  131.616   56.250 77.19888 65.03061 
1 1 1   21   10   15 o  140.329   40.223   7.8244   5.9050  -2.6941   9.3676   14.760   7.6066  108.098   51.964  172.559   61.412 -64.46169 80.44690 
1 1 1   21   10   17 o   99.458   32.372   1.6505   3.4714   1.8936   3.7711   0.3008   8.8856   91.948   39.621  106.967   51.205 -15.01888 64.74406 
1 1 1   21   10   19 o   87.610   38.599   1.8017   3.7516   1.8017   3.7516   0.0000   0.0000   87.610   38.599  ?   ?       ?      ? 
1 1 1   21   10   21 o  149.546   41.214   10.132   3.6277   10.132   3.6277   0.0000   0.0000  149.546   41.214  ?   ?       ?      ? 
1 1 1   21   11    0 o   57.554   27.871  -2.2143   4.1173  -2.2143   4.1173  -2.2143   4.1173   57.554   39.416   57.554   39.416 0.000000 0.000000 
1 1 1   21   11    2 o  140.203   39.371   5.7561   4.6565   6.7344   5.7262   3.8460   8.0008  143.902   52.997  136.505   58.239 7.397675 78.74297 
1 1 1   21   11    4 o  235.431   29.135   17.920   3.7755   22.448   5.5689   14.069   5.1362  267.224   36.542  203.638   45.387 63.58641 58.26921 
1 1 1   21   11    6 o  692.135   17.770  143.635   7.0122  145.430   10.056  141.936   9.7829  696.068   25.333  688.203   24.926 7.864441 35.54002 
1 1 1   21   11    8 o  307.342   31.594   33.159   4.5418   34.956   5.3374   28.442   8.6468  338.659   27.636  276.025   56.824 62.63486 63.18806 
1 1 1   21   11   10 o  285.489   32.323   28.391   3.5729   28.569   3.9011   27.465   8.9000  308.895   22.145  262.082   60.735 46.81335 64.64587 
1 1 1   21   11   12 o  269.786   33.450   26.600   4.0275   26.964   4.5724   25.339   8.5069  294.766   27.200  244.805   61.121 49.96053 66.90008 
1 1 1   21   11   14 o  301.395   43.029   40.649   7.1353   33.924   10.828   45.811   9.4864  255.309   71.515  347.480   47.872 -92.17041 86.05878 
1 1 1   21   11   16 o  127.277   35.619   6.6461   3.5421   6.0996   4.0978   8.2611   7.0445  123.080   44.907  131.475   55.302 -8.395042 71.23857 
1 1 1   21   11   18 o  194.342   39.157   14.646   4.1898   14.646   4.1898   0.0000   0.0000  194.342   39.157  ?   ?       ?      ? 
1 1 1   21   11   20 o  108.570   34.240   5.4670   3.3168   4.7086   3.4876   12.646   10.730  102.412   40.436  114.727   55.268 -12.31440 68.48051 
1 1 1   21   11   22 o  101.691   48.508   9.4669   7.8265   9.4669   7.8265   0.0000   0.0000  101.691   48.508  ?   ?       ?      ? 
1 1 1   21   12    1 o  275.219   24.275   23.609   3.8071   22.521   5.3654   24.711   5.4029  268.332   35.062  282.105   33.583 -13.77335 48.55095 
1 1 1   21   12    3 o  159.643   36.220   8.9737   4.2987   13.882   5.6522   2.2400   6.6204  197.984   50.038  121.302   52.382 76.68170 72.44080 
1 1 1   21   12    5 o  425.035   19.819   55.134   4.7662   63.078   6.7773   47.360   6.7041  457.306   25.987  392.765   29.930 64.54077 39.63777 
1 1 1   21   12    7 o  369.902   18.801   42.355   3.7924   44.763   4.8154   38.422   6.1542  387.766   21.775  352.039   30.654 35.72763 37.60114 
1 1 1   21   12    9 o  125.595   31.725   5.2685   2.5635   5.6258   2.7982   3.4026   6.3941  129.544   36.380  121.645   51.985 7.899651 63.45040 
1 1 1   21   12   11 o   96.562   27.871   1.9671   2.4069   1.0411   3.1387   3.2890   3.7500   86.320   36.643  106.803   42.006 -20.48324 55.74226 
1 1 1   21   12   13 o   97.160   31.359  -0.0818   3.8995   1.4653   5.0528  -2.3603   6.1320  100.854   44.596   93.467   44.099 7.387459 62.71731 
1 1 1   21   12   15 o  120.832   33.484   5.4286   2.9557   5.1832   3.2827   6.4796   6.7932  117.319   40.449  124.345   53.373 -7.026077 66.96808 
1 1 1   21   12   17 o  147.723   41.888   8.9753   3.6912   8.9753   3.6912   0.0000   0.0000  147.723   41.888  ?   ?       ?      ? 
1 1 1   21   12   19 o   77.198   33.699   1.2762   2.8016   1.2762   2.8016   0.0000   0.0000   77.198   33.699  ?   ?       ?      ? 
1 1 1   21   12   21 o   99.364   34.042   6.5098   5.1786   15.264   11.945   4.4837   5.7467  105.442   52.299   93.287   43.592 12.15547 68.08436 
1 1 1   21   13    0 o  110.896   39.007   5.8270   4.2279   5.8270   4.2279   5.8270   4.2279  110.896   55.164  110.896   55.164 0.000000 0.000000 
1 1 1   21   13    2 f  497.635   26.843   79.886   7.5491   84.686   10.276   74.258   11.126  518.448   34.756  476.821   40.917 41.62778 53.68653 
1 1 1   21   13    4 o  395.863   20.312   48.113   4.5736   45.940   6.5968   50.125   6.3464  386.024   29.966  405.701   27.430 -19.67725 40.62494 
1 1 1   21   13    6 o  321.076   21.657   32.131   3.9333   27.552   5.5198   36.855   5.6062  295.894   32.711  346.257   28.391 -50.36267 43.31320 
1 1 1   21   13    8 o  245.659   26.174   21.020   3.0349   22.677   3.5980   16.934   5.6505  274.369   22.995  216.950   47.027 57.41853 52.34790 
1 1 1   21   13   10 o  414.408   25.118   57.002   5.4133   58.249   6.5496   54.315   9.6162  433.895   26.469  394.920   42.697 38.97482 50.23624 
1 1 1   21   13   12 f  307.213   30.439   30.089   4.9041   21.377   5.8988   49.587   8.8247  240.544   44.644  373.882   41.388 -133.3383 60.87762 
1 1 1   21   13   14 o   90.104   26.482   1.7971   2.4430   3.5927   2.6682  -7.5090   6.0744  102.009   36.365   78.199   38.507 23.80994 52.96399 
1 1 1   21   13   16 o  137.003   30.457   6.6286   2.6343   3.7896   3.1746   12.907   4.7208  101.461   38.999  172.545   46.794 -71.08424 60.91482 
1 1 1   21   13   18 o   66.613   30.697  -0.4543   2.7019  -0.4543   2.7019   0.0000   0.0000   66.613   30.697  ?   ?       ?      ? 
1 1 1   21   13   20 o   97.133   33.722   5.7244   6.4177   5.6969   8.4299   5.7624   9.8978   97.248   47.349   97.019   48.029 0.2289352 67.44450 
1 1 1   21   14    1 o  101.481   29.110   1.0622   2.8396   5.0779   4.2467  -2.1849   3.8188  125.233   45.713   77.729   36.056 47.50336 58.22097 
1 1 1   21   14    3 o  209.110   38.671   17.153   4.8627   21.420   6.6030   12.097   7.1878  244.897   48.990  173.324   59.848 71.57306 77.34176 
1 1 1   21   14    5 o  182.173   31.101   11.766   3.2072   10.378   4.6681   13.006   4.4139  169.329   46.787  195.017   40.989 -25.68842 62.20280 
1 1 1   21   14    7 o  107.981   28.390   2.7977   2.3917   6.1696   3.8942   0.7555   3.0306  132.178   44.074   83.784   35.797 48.39436 56.77990 
1 1 1   21   14    9 o  130.085   33.562   5.7548   3.2894   8.7475   5.0394   3.5333   4.3419  149.577   50.139  110.592   44.627 38.98511 67.12299 
1 1 1   21   14   11 o  163.710   32.455   11.750   3.4331   13.804   3.9963   5.9633   6.7073  200.123   36.355  127.297   53.775 72.82595 64.91080 
1 1 1   21   14   13 o  183.906   31.513   13.670   3.1375   12.291   6.0035   14.188   3.6801  161.434   54.722  206.379   31.268 -44.94511 63.02521 
1 1 1   21   14   15 o  126.373   33.669   7.1503   3.1643   7.1147   3.6217   7.2649   6.5052  130.856   42.450  121.890   52.271 8.966026 67.33735 
1 1 1   21   14   17 o  106.479   41.953   4.9718   3.7469   4.9718   3.7469   0.0000   0.0000  106.479   41.953  ?   ?       ?      ? 
1 1 1   21   14   19 o   90.045   30.618   1.7869   4.7669  -2.9386   7.2844   5.3263   6.3042   81.537   40.510   98.554   45.921 -17.01780 61.23518 
1 1 1   21   15    0 o   49.755   24.389  -2.3922   3.3902  -2.3922   3.3902  -2.3922   3.3902   49.755   34.491   49.755   34.491 0.000000 0.000000 
1 1 1   21   15    2 o  361.854   28.703   43.059   5.8689   37.883   7.6993   50.238   9.0673  337.061   40.055  386.647   41.122 -49.58600 57.40522 
1 1 1   21   15    4 o  353.072   19.989   38.762   4.0088   42.205   5.6498   35.271   5.6891  370.398   26.747  335.747   29.713 34.65112 39.97767 
1 1 1   21   15    6 o   92.721   27.928   1.3011   2.5970   1.5927   3.6451   1.0005   3.7011   94.345   39.737   91.098   39.253 3.246727 55.85530 
1 1 1   21   15    8 o  271.877   24.221   24.112   3.7208   28.761   5.4941   20.173   5.0571  297.868   32.343  245.887   36.064 51.98082 48.44217 
1 1 1   21   15   10 o  140.240   32.057   7.2776   3.3102   12.175   4.7361   2.6001   4.6284  176.837   46.387  103.642   44.259 73.19555 64.11358 
1 1 1   21   15   12 o  290.334   35.644   34.696   5.6811   39.267   7.9484   29.923   8.1230  322.115   43.269  258.552   56.655 63.56259 71.28808 
1 1 1   21   15   14 o   88.212   26.711   1.8867   2.3954   1.7811   3.3501   1.9971   3.4262   87.311   37.479   89.113   38.068 -1.802071 53.42106 
1 1 1   21   15   16 o  121.530   32.529   4.1851   2.6292   1.6358   2.9206   15.080   6.0379   81.255   34.940  161.806   54.879 -80.55088 65.05730 
1 1 1   21   15   18 f  100.622   39.670   4.7098   3.3520   4.7098   3.3520   0.0000   0.0000  100.622   39.670  ?   ?       ?      ? 
1 1 1   21   16    1 o  524.227   21.824   87.112   6.2644   86.644   10.320   87.386   7.8828  515.391   35.112  533.063   25.930 -17.67194 43.64892 
1 1 1   21   16    3 f  133.405   34.031   6.4760   3.1956   6.7197   3.7650   5.8481   6.0435  136.581   43.175  130.230   52.616 6.350800 68.06268 
1 1 1   21   16    5 o  196.692   28.601   13.829   3.1574   9.4637   4.5168   18.001   4.4154  157.800   46.818  235.584   32.865 -77.78348 57.20137 
1 1 1   21   16    7 o  149.790   31.924   8.6147   3.0036   10.010   4.1551   7.0873   4.3467  163.724   43.690  135.855   46.561 27.86894 63.84885 
1 1 1   21   16    9 o  165.190   33.003   11.067   3.3494   8.5430   4.9034   13.274   4.5861  143.157   49.431  187.223   43.742 -44.06680 66.00564 
1 1 1   21   16   11 o  106.391   29.716   3.9732   2.6452   4.1524   3.3952   3.6963   4.2196  107.309   40.548  105.473   43.452 1.836044 59.43272 
1 1 1   21   16   13 o  100.706   32.705   2.2778   4.2849   1.4363   6.5990   2.8912   5.6342   99.607   46.600  101.805   45.900 -2.198204 65.40906 
1 1 1   21   16   15 o  109.961   30.053   5.4493   2.6387   5.8022   2.9497   4.0358   5.9037  118.168   38.308  101.754   46.316 16.41419 60.10545 
1 1 1   21   16   17 o  142.166   43.910   9.9699   3.9186   9.9699   3.9186   0.0000   0.0000  142.166   43.910  ?   ?       ?      ? 
1 1 1   21   17    0 o   58.509   27.676  -0.5861   3.6127  -0.5861   3.6127  -0.5861   3.6127   58.509   39.139   58.509   39.139 0.000000 0.000000 
1 1 1   21   17    2 o  236.177   40.672   22.866   5.4341   18.068   7.1200   29.561   8.4102  204.075   58.284  268.280   56.742 -64.20476 81.34332 
1 1 1   21   17    4 o  172.065   31.109   11.078   3.0706   11.773   4.2959   10.351   4.3908  179.164   42.657  164.966   45.292 14.19754 62.21719 
1 1 1   21   17    6 f  116.477   29.168   4.5401   2.9051   7.9535   3.6979  -0.9623   4.6950  145.548   42.135   87.405   40.344 58.14355 58.33555 
1 1 1   21   17    8 o  235.420   27.059   19.691   3.5260   17.331   4.9350   22.153   5.0398  216.345   41.509  254.495   34.725 -38.15077 54.11828 
1 1 1   21   17   10 o  132.632   28.220   5.2982   2.5525   12.795   4.3760   1.4320   3.1424  180.257   43.143   85.007   36.389 95.24998 56.44028 
1 1 1   21   17   12 o  210.189   42.363   23.733   5.3213   22.342   7.3120   25.298   7.7587  203.897   59.314  216.481   60.501 -12.58459 84.72617 
1 1 1   21   17   14 o  130.666   30.693   9.0553   3.1799   10.669   3.6050   3.3972   6.7501  161.117   39.532  100.215   46.963 60.90245 61.38588 
1 1 1   21   17   16 o   77.858   34.496   1.4567   3.0383   1.4567   3.0383   0.0000   0.0000   77.858   34.496  ?   ?       ?      ? 
1 1 1   21   18    1 o  347.436   35.904   48.210   6.4879   54.324   8.4863   39.609   10.065  396.644   37.517  298.228   61.229 98.41602 71.80888 
1 1 1   21   18    3 o  202.492   29.975   15.141   3.3517   16.945   4.8427   13.483   4.6435  216.246   40.763  188.737   43.960 27.50902 59.95099 
1 1 1   21   18    5 o  117.921   30.068   4.6586   2.9980   8.6060   4.0893   0.0711   4.4084  147.333   44.737   88.509   40.185 58.82443 60.13519 
1 1 1   21   18    7 o  210.817   29.549   16.979   3.4501   19.636   4.7277   13.953   5.0463  237.962   34.838  183.673   47.737 54.28915 59.09753 
1 1 1   21   18    9 o  283.494   24.720   28.572   3.9648   31.193   5.5298   25.800   5.6878  301.127   32.201  265.862   37.514 35.26538 49.43901 
1 1 1   21   18   11 o  143.544   31.818   9.1961   2.9477   7.6203   4.1521   10.797   4.1854  129.270   45.438  157.818   44.553 -28.54822 63.63668 
1 1 1   21   18   13 o  108.316   34.579   5.6735   4.7241   9.6626   6.5715   1.4072   6.7960  122.597   52.555   94.036   44.952 28.56154 69.15711 
1 1 1   21   18   15 o   72.146   23.831  -0.0935   2.2179  -0.6670   2.6603   1.2134   4.0163   63.471   29.660   80.821   37.308 -17.35024 47.66153 
1 1 1   21   19    0 o   42.767   21.580  -4.1405   3.3261  -4.1405   3.3261  -4.1405   3.3261   42.767   30.518   42.767   30.518 -0.000000 0.000000 
1 1 1   21   19    2 o  109.572   33.845   3.5715   4.0053   3.9008   5.5362   3.2099   5.8019  110.786   47.871  108.357   47.856 2.429253 67.68970 
1 1 1   21   19    4 o  189.588   30.284   13.928   3.1979   13.299   4.5981   14.518   4.4507  183.109   44.474  196.068   41.117 -12.95934 60.56890 
1 1 1   21   19    6 f   87.294   26.922   1.1843   2.4422   0.2662   3.0761   2.7499   4.0170   76.964   34.368   97.623   41.448 -20.65899 53.84314 
1 1 1   21   19    8 o  153.839   31.484   9.8118   3.3537   4.1614   4.4998   16.873   5.0301  105.405   44.260  202.273   44.788 -96.86877 62.96761 
1 1 1   21   19   10 o  100.675   29.015   2.7854   2.5531   0.5199   3.0972   7.5893   4.5100   76.322   34.254  125.028   46.840 -48.70547 58.02901 
1 1 1   21   19   12 o  102.969   33.699   4.6227   4.9265  -0.3619   7.5757   8.2754   6.4850   90.867   44.383  115.070   50.720 -24.20283 67.39717 
1 1 1   21   19   14 o   96.923   27.986   3.6067   2.3729   1.7066   2.9175   7.3198   4.0784   78.229   34.263  115.618   44.260 -37.38951 55.97192 
1 1 1   21   20    1 o  330.909   31.998   43.812   6.0342   43.762   8.4028   43.866   8.6709  332.728   44.283  329.091   46.201 3.637787 63.99662 
1 1 1   21   20    3 o  154.607   31.689   10.174   3.0185   8.4176   4.3688   11.778   4.1752  138.052   46.682  171.162   42.867 -33.10957 63.37834 
1 1 1   21   20    5 o  128.829   30.129   7.0761   2.7043   8.8656   3.6761   4.9654   3.9924  147.178   41.827  110.481   43.377 36.69636 60.25829 
1 1 1   21   20    7 o  146.795   31.418   9.4959   2.8567   9.1083   4.0038   9.8977   4.0770  143.488   44.397  150.101   44.467 -6.613464 62.83630 
1 1 1   21   20    9 o  188.821   32.508   15.942   3.4568   14.911   4.6698   17.192   5.1415  183.335   44.998  194.307   46.928 -10.97177 65.01579 
1 1 1   21   20   11 o  108.678   30.834   5.9391   2.9330   6.2683   3.7316   5.4071   4.7441  113.440   42.586  103.916   44.603 9.524361 61.66828 
1 1 1   21   20   13 o   78.070   27.292  -2.6631   4.4930  -5.2140   7.0140  -0.8880   5.8510   76.217   38.157   79.923   39.031 -3.706581 54.58332 
1 1 1   21   21    2 o  115.966   30.749   5.7909   2.7802   7.1406   4.0167   4.5495   3.8521  125.947   44.648  105.985   42.290 19.96176 61.49706 
1 1 1   21   21    4 o  154.248   29.939   10.068   2.7391   8.5100   3.7791   11.792   3.9758  139.435   43.131  169.061   41.535 -29.62556 59.87892 
1 1 1   21   21    6 f  140.423   28.762   8.8983   2.9029   13.402   3.9522   3.6221   4.2777  182.866   39.083   97.979   42.209 84.88666 57.52459 
1 1 1   21   21    8 o  114.603   29.782   6.1305   2.6454   7.8142   3.7089   4.3868   3.7744  128.779   43.014  100.426   41.202 28.35340 59.56346 
1 1 1   21   21   10 o  107.895   30.549   6.0645   2.9639   7.4286   3.9529   4.3128   4.4795  119.180   44.008   96.610   42.381 22.56993 61.09718 
1 1 1   21   21   12 o  104.387   30.161   5.6009   2.6740   4.3769   3.2199   8.3213   4.8003   95.610   38.484  113.163   46.450 -17.55307 60.32105 
1 1 1   21   22    1 o  198.215   39.550   15.893   4.3140   15.893   4.3140   0.0000   0.0000  198.215   39.550  ?   ?       ?      ? 
1 1 1   21   22    3 o  147.021   31.213   9.9441   2.9348   13.273   4.3428   7.1458   3.9816  172.503   44.004  121.538   44.278 50.96499 62.42522 
1 1 1   21   22    5 o  130.280   31.893   8.2579   3.0217   5.2966   4.0489   11.980   4.5396  105.731   42.944  154.829   47.164 -49.09808 63.78587 
1 1 1   21   22    7 o   95.470   28.371   3.7252   2.6744   1.9334   3.6751   5.7422   3.8992   83.676   37.450  107.263   42.627 -23.58712 56.74173 
1 1 1   21   22    9 o  104.402   32.101   6.9034   3.9524   1.8619   8.4681   8.3076   4.4690   90.505   44.736  118.298   46.049 -27.79282 64.20132 
1 1 1   21   22   11 o  112.040   31.886   7.8304   3.0826   6.5641   4.0137   9.6513   4.8132  105.423   42.779  118.658   47.296 -13.23528 63.77241 
1 1 1   21   23    2 o  143.278   31.948   10.580   3.0360   12.580   4.2007   8.3924   4.3929  163.095   44.104  123.462   46.233 39.63338 63.89550 
1 1 1   21   23    4 f   73.417   23.511   0.0949   2.2603   2.6489   3.1033  -2.7909   3.2986   85.523   36.374   61.312   29.799 24.21048 47.02149 
1 1 1   21   23    6 o  105.997   33.171   5.9861   3.3271   12.354   7.8257   4.5812   3.6758  114.846   52.671   97.149   40.336 17.69658 66.34169 
1 1 1   21   23    8 o  115.566   27.492   5.9970   2.4126   2.3409   3.1662   11.058   3.7254   81.030   35.586  150.102   41.914 -69.07204 54.98322 
1 1 1   21   24    1 o   78.404   26.984  -0.5712   3.4308   2.2336   6.3838  -1.7103   4.0682   87.593   42.304   69.214   33.511 18.37885 53.96882 
1 1 1   21   24    3 o   79.547   25.492   1.6541   2.5060   0.3925   3.4346   3.0905   3.6648   72.567   33.840   86.527   38.134 -13.96005 50.98344 
1 1 1   21   24    5 o   99.332   29.053   5.4267   2.7647   6.7688   3.7754   3.8748   4.0598  109.107   42.365   89.557   39.769 19.54968 58.10639 
1 1 1   22    0    0 o  471.294   32.335   67.297   12.025   67.297   12.025   67.297   12.025  471.294   45.729  471.294   45.729 0.000000 0.000000 
1 1 1   22    0    2 o   84.906   40.715  -2.3228   8.3408  -2.3228   8.3408  -2.3228   8.3408   84.906   57.580   84.906   57.580 -0.000000 0.000000 
1 1 1   22    0    4 o   85.652   41.266  -2.7622   8.7741  -2.7622   8.7741  -2.7622   8.7741   85.652   58.359   85.652   58.359 0.000000 0.000000 
1 1 1   22    0    6 o   84.824   35.840   2.7673   4.3474   2.7673   4.3474   2.7673   4.3474   84.824   50.685   84.824   50.685 0.000000 0.000000 
1 1 1   22    0    8 o   73.530   33.780   0.4793   4.7987   0.4793   4.7987   0.4793   4.7987   73.530   47.772   73.530   47.772 -0.000000 0.000000 
1 1 1   22    0   10 o  305.554   24.480   29.079   5.8328   29.079   5.8328   29.079   5.8328  305.554   34.620  305.554   34.620 -0.000000 0.000000 
1 1 1   22    0   12 o  306.342   21.542   28.888   5.2016   28.888   5.2016   28.888   5.2016  306.342   30.465  306.342   30.465 -0.000000 0.000000 
1 1 1   22    0   14 o  150.589   45.695   11.137   5.6814   11.137   5.6814   11.137   5.6814  150.589   64.623  150.589   64.623 -0.000000 0.000000 
1 1 1   22    0   18 o   85.162   40.222   2.7439   7.5800   2.7439   7.5800   2.7439   7.5800   85.162   56.882   85.162   56.882 0.000000 0.000000 
1 1 1   22    0   20 f  119.004   44.444   9.7624   5.6982   9.7624   5.6982   9.7624   5.6982  119.004   62.853  119.004   62.853 -0.000000 0.000000 
1 1 1   22    0   22 f  135.666   52.944   18.355   8.4346   18.355   8.4346   18.355   8.4346  135.666   74.874  135.666   74.874 0.000000 0.000000 
1 1 1   22    1    1 o  387.193   21.787   45.218   4.6571   44.159   5.8715   47.014   7.6470  384.045   26.809  390.342   34.352 -6.296875 43.57471 
1 1 1   22    1    3 o  225.268   39.517   19.082   4.7748   20.243   5.4911   15.483   9.6687  253.693   37.954  196.842   69.325 56.85042 79.03429 
1 1 1   22    1    5 o  526.636   26.903   87.193   7.5319   86.317   9.1588   89.024   13.238  532.201   30.177  521.070   44.548 11.13037 53.80679 
1 1 1   22    1    7 o  106.392   32.615   0.9831   3.6991   2.4139   4.8211  -1.0649   5.7680  111.163   46.178  101.620   46.071 9.543816 65.22963 
1 1 1   22    1    9 o  118.613   30.267   3.4928   2.7796   7.5580   4.3521   0.6922   3.6123  146.872   46.419   90.354   38.855 56.51782 60.53465 
1 1 1   22    1   11 o  248.976   22.831   17.241   2.8887   10.188   3.5070   32.125   5.0943  174.992   36.330  322.960   27.660 -147.9677 45.66123 
1 1 1   22    1   13 o  400.009   27.552   54.233   6.2722   50.591   8.8340   57.936   8.9069  384.220   40.316  415.799   37.562 -31.57870 55.10304 
1 1 1   22    1   15 o  503.403   29.125   81.594   8.3614   0.0000   0.0000   81.594   8.3614  ?   ?   503.403   29.125      ?      ? 
1 1 1   22    1   19 o  112.440   35.262   5.7817   4.1732   4.3497   4.9636   9.2353   7.7082  103.592   45.044  121.289   54.264 -17.69704 70.52375 
1 1 1   22    1   21 o   74.293   25.991  -4.1426   4.0720  -3.9322   5.5775  -4.3828   5.9588   73.817   36.453   74.769   37.059 -0.9520340 51.98277 
1 1 1   22    2    0 o  768.663   15.726  171.807   9.7308  171.807   9.7308  171.807   9.7308  768.663   22.240  768.663   22.240 0.000000 0.000000 
1 1 1   22    2    2 o  352.085   36.059   43.234   6.2819   37.882   11.117   45.745   7.6139  319.767   63.204  384.403   34.732 -64.63666 72.11845 
1 1 1   22    2    4 o  190.172   39.099   14.446   5.3059   19.828   6.4545   3.2296   9.3184  240.721   48.690  139.623   61.190 101.0981 78.19814 
1 1 1   22    2    6 o  425.137   27.307   58.080   4.5746   58.413   4.9655   56.214   11.761  445.932   19.526  404.341   51.005 41.59113 54.61490 
1 1 1   22    2    8 o  294.170   39.487   32.711   5.7972   34.681   6.9426   28.175   10.536  329.738   36.920  258.602   69.812 71.13577 78.97320 
1 1 1   22    2   10 o  202.371   38.276   17.347   4.7007   19.461   5.3625   10.336   9.7676  244.033   38.532  160.709   66.147 83.32397 76.55208 
1 1 1   22    2   12 o  372.885   21.782   40.531   3.9941   37.336   4.5463   51.340   8.3616  351.621   22.672  394.148   37.199 -42.52676 43.56375 
1 1 1   22    2   14 o  146.140   43.220   7.8278   5.2954   16.573   10.677   4.9749   6.0982  169.755   69.431  122.526   51.491 47.22839 86.44069 
1 1 1   22    2   18 o   90.394   30.609  -1.0954   3.9139  -2.3057   4.5864   2.1478   7.5080   77.378   36.972  103.409   48.792 -26.03041 61.21745 
1 1 1   22    2   20 f  111.680   35.208   7.2548   4.4117   6.4957   5.3858   8.8027   7.6913  109.746   47.319  113.613   52.147 -3.866852 70.41598 
1 1 1   22    2   22 o   85.192   29.458   1.3870   4.5346   2.3052   8.1275   0.9719   5.4641   88.531   43.772   81.854   39.433 6.676857 58.91544 
1 1 1   22    3    1 o  439.234   28.222   63.020   5.1587   57.781   12.267   64.145   5.6858  411.732   52.245  466.736   21.361 -55.00360 56.44367 
1 1 1   22    3    3 o  469.019   18.308   62.861   4.5540   58.125   5.4301   74.090   8.3615  444.046   21.443  493.992   29.680 -49.94620 36.61602 
1 1 1   22    3    5 o  572.365   23.510   96.935   6.7053   92.282   7.7259  111.140   13.499  556.239   24.355  588.491   40.222 -32.25208 47.02090 
1 1 1   22    3    7 o  290.270   37.518   29.291   5.5882   28.322   6.7201   31.462   10.061  296.050   39.803  284.491   63.608 11.55920 75.03529 
1 1 1   22    3    9 o  425.911   28.199   58.169   5.8163   57.084   6.6805   61.567   11.824  432.802   27.066  419.020   49.479 13.78204 56.39798 
1 1 1   22    3   11 o  206.621   37.533   13.539   3.1658   12.629   3.3532   21.006   9.6064  201.394   29.195  211.847   69.157 -10.45273 75.06680 
1 1 1   22    3   13 o  395.309   23.155   50.718   5.1296   50.207   7.9538   51.083   6.7119  388.836   35.869  401.783   29.293 -12.94696 46.31029 
1 1 1   22    3   15 o  185.269   43.669   17.806   5.4685   17.953   6.3744   17.397   10.642  204.629   53.881  165.909   68.737 38.72043 87.33823 
1 1 1   22    3   17 o  158.185   48.633   20.593   8.1990   16.477   11.179   25.386   12.062  146.177   65.377  170.193   72.017 -24.01614 97.26557 
1 1 1   22    3   19 o  144.990   34.501   11.774   4.7563  -1.4526   7.8677   19.392   5.9710   92.336   45.128  197.644   52.199 -105.3080 69.00240 
1 1 1   22    3   21 o  120.011   37.276   11.229   4.7726   15.048   7.8444   8.9847   6.0137  126.627   55.800  113.396   49.440 13.23103 74.55147 
1 1 1   22    4    0 o  812.475   27.300  199.642   17.797  199.642   17.797  199.642   17.797  812.475   38.608  812.475   38.608 0.000000 0.000000 
1 1 1   22    4    2 o  388.457   22.980   47.703   4.8478   52.059   6.2046   40.877   7.7675  416.897   26.097  360.017   37.832 56.88028 45.96035 
1 1 1   22    4    4 o  148.561   34.824   6.3725   3.2361   4.3351   3.8366   11.396   6.0244  119.883   43.496  177.239   54.396 -57.35612 69.64817 
1 1 1   22    4    6 o  361.153   26.211   43.668   4.3112   45.773   4.9210   36.716   8.9414  392.922   21.961  329.384   47.600 63.53751 52.42222 
1 1 1   22    4    8 o  449.783   27.448   67.616   4.8270   68.786   5.2541   61.288   12.222  483.259   19.064  416.306   51.478 66.95313 54.89507 
1 1 1   22    4   10 o  264.119   38.517   25.771   5.0559   25.333   5.8934   26.992   9.8394  279.080   37.029  249.158   67.550 29.92207 77.03355 
1 1 1   22    4   12 o  308.246   21.797   30.193   3.8259   30.425   5.2889   29.938   5.5412  310.449   29.873  306.043   31.749 4.405182 43.59352 
1 1 1   22    4   14 o  125.350   35.295   5.5952   4.4412   9.2052   5.1373  -5.0836   8.8357  149.208   50.620  101.493   49.199 47.71474 70.58996 
1 1 1   22    4   16 o  248.182   56.841   28.031   7.8720   28.031   7.8720   0.0000   0.0000  248.182   56.841  ?   ?       ?      ? 
1 1 1   22    4   18 o   94.744   31.394   0.8255   4.3431   2.7839   5.6243  -2.0671   6.8353   99.718   45.319   89.770   43.457 9.948326 62.78761 
1 1 1   22    4   20 o  105.037   34.080   5.9356   4.5131   7.7415   7.4825   4.9029   5.6581  109.017   50.534  101.057   45.740 7.960304 68.16045 
1 1 1   22    4   22 o   85.374   29.015  -0.1149   4.1308  -7.2640   5.5139   9.0294   6.2361   65.074   32.749  105.674   47.907 -40.59949 58.03097 
1 1 1   22    5    1 o  271.191   39.638   27.385   5.1555   28.523   5.9165   23.796   10.508  303.136   34.224  239.246   71.508 63.88989 79.27639 
1 1 1   22    5    3 f  252.094   26.767   18.276   3.6320   14.763   4.3444   26.430   6.6192  217.419   35.038  286.768   40.474 -69.34920 53.53355 
1 1 1   22    5    5 o  318.076   32.561   31.885   5.5647   28.160   6.6894   40.256   10.027  295.779   39.658  340.372   51.655 -44.59311 65.12240 
1 1 1   22    5    7 o  411.518   28.495   55.938   5.6550   56.921   6.5496   53.058   11.209  433.480   26.494  389.556   50.456 43.92432 56.98929 
1 1 1   22    5    9 o  394.716   31.728   57.809   4.6435   60.668   5.1067   44.161   11.157  452.567   19.786  336.866   60.292 115.7013 63.45564 
1 1 1   22    5   11 o  257.770   22.784   20.838   3.2983   19.224   4.2508   23.279   5.2286  247.134   30.161  268.405   34.159 -21.27170 45.56847 
1 1 1   22    5   13 o  223.450   36.860   24.249   4.9620   28.369   5.7279   11.860   9.9330  292.935   34.287  153.965   65.262 138.9693 73.72084 
1 1 1   22    5   15 o  219.519   40.083   25.319   5.7387   28.935   6.8527   16.831   10.500  278.347   43.170  160.691   67.549 117.6563 80.16585 
1 1 1   22    5   17 o  498.655   19.867   81.700   5.5139   78.632   7.0413   86.564   8.8658  494.015   24.993  503.295   30.889 -9.279999 39.73397 
1 1 1   22    5   19 o  191.024   42.244   27.025   5.8832   26.536   6.6174   28.866   12.851  234.977   50.857  147.070   67.468 87.90706 84.48859 
1 1 1   22    5   21 o   61.186   30.817  -9.9518   4.1449  -8.4236   4.9352 -13.6101   7.6360   61.186   30.817  ?   ?       ?      ? 
1 1 1   22    6    0 o  858.846   27.282  223.721   18.811  223.721   18.811  223.721   18.811  858.846   38.583  858.846   38.583 -0.000000 0.000000 
1 1 1   22    6    2 o  174.739   32.204   9.9881   3.1286   8.6270   3.8672   12.566   5.3225  160.212   41.863  189.267   48.947 -29.05550 64.40723 
1 1 1   22    6    4 o  109.843   34.589   0.6812   3.9186   0.9124   4.5242  -0.0130   7.8402  100.426   43.335  119.261   53.923 -18.83487 69.17802 
1 1 1   22    6    6 o  153.126   36.715   3.4135   3.9630  -1.6794   4.5709   18.832   7.9530   88.080   40.344  218.172   61.354 -130.0913 73.42934 
1 1 1   22    6    8 o  372.766   19.818   42.593   4.1712   43.022   6.3608   42.269   5.5250  372.545   29.939  372.986   25.974 -0.4411926 39.63625 
1 1 1   22    6   10 o  445.938   28.440   69.127   5.9374   72.056   6.8626   60.406   11.840  486.546   24.733  405.330   51.220 81.21576 56.87925 
1 1 1   22    6   12 o  350.532   32.235   43.867   4.3664   44.055   4.7877   42.941   10.645  381.321   22.016  319.743   60.594 61.57764 64.46984 
1 1 1   22    6   14 o  303.234   38.936   39.045   5.9594   41.114   7.2923   34.885   10.340  344.545   37.113  261.922   68.460 82.62335 77.87240 
1 1 1   22    6   16 o  157.954   38.726   13.427   4.4866   13.958   4.9984   11.222   10.179  181.499   47.675  134.411   61.040 47.08800 77.45146 
1 1 1   22    6   18 o  133.736   41.376   4.3574   4.4470  -0.8085   4.8323   32.926   11.364   82.179   38.887  185.294   73.045 -103.1149 82.75138 
1 1 1   22    6   20 o  100.651   40.609   3.1983   3.4373   4.7353   3.5945 -13.2258   11.750  100.651   40.609  ?   ?       ?      ? 
1 1 1   22    7    1 o  300.770   35.772   32.344   5.5425   35.097   6.9369   27.484   9.2168  333.094   36.518  268.446   61.522 64.64801 71.54379 
1 1 1   22    7    3 o  315.030   16.697   29.773   2.9302   30.373   3.7900   28.880   4.6203  320.620   20.728  309.439   26.182 11.18069 33.39353 
1 1 1   22    7    5 o  560.899   21.573   93.022   5.1961   90.885   5.6995  103.542   12.645  556.643   17.954  565.155   39.234 -8.512207 43.14664 
1 1 1   22    7    7 o  420.983   27.018   60.704   4.5640   62.564   5.0162   51.759   10.999  460.374   19.106  381.591   50.544 78.78250 54.03502 
1 1 1   22    7    9 o  130.852   37.356   5.5667   4.1573   6.1663   4.8918   4.0077   7.8879  132.674   48.964  129.031   56.430 3.643311 74.71106 
1 1 1   22    7   11 o  177.462   40.051   10.836   4.0371   8.0046   4.6036   20.266   8.4004  145.021   47.900  209.903   64.202 -64.88220 80.10229 
1 1 1   22    7   13 o  100.393   32.971  -0.1912   4.3213   0.1730   5.2319  -0.9732   7.6653   95.759   43.592  105.027   49.477 -9.268471 65.94173 
1 1 1   22    7   15 o  139.113   33.951   9.0300   4.3423   13.709   5.0967  -3.3602   8.2940  180.293   48.507   97.932   47.517 82.36026 67.90276 
1 1 1   22    7   17 o  333.448   37.678   41.897   7.1648   41.897   7.1648   0.0000   0.0000  333.448   37.678  ?   ?       ?      ? 
1 1 1   22    7   19 o  181.559   44.313   26.516   6.0021   25.532   7.0999   28.980   11.237  209.276   57.650  153.843   67.314 55.43288 88.62666 
1 1 1   22    7   21 o  145.289   39.561   19.158   5.0100   17.924   8.3519   19.852   6.2617  124.412   56.008  166.167   55.888 -41.75458 79.12259 
1 1 1   22    8    2 o  404.445   27.929   55.868   5.4202   59.633   6.3619   45.900   10.352  445.280   25.053  363.611   49.924 81.66931 55.85735 
1 1 1   22    8    4 o  139.917   36.842   3.6350   3.8439  -0.1267   4.5009   13.773   7.3887   94.164   41.841  185.669   60.653 -91.50489 73.68491 
1 1 1   22    8    6 o  435.274   25.663   59.826   5.5753   58.658   6.4894   63.120   10.895  439.447   25.894  431.101   44.315 8.345917 51.32600 
1 1 1   22    8    8 o  468.984   26.340   78.124   5.2629   83.029   5.9323   59.994   11.405  528.742   19.674  409.227   48.869 119.5148 52.68092 
1 1 1   22    8   10 o  267.266   37.560   28.150   5.0547   29.223   6.0252   25.601   9.2872  298.103   35.442  236.428   66.235 61.67531 75.12075 
1 1 1   22    8   12 o  104.535   31.592   2.6490   3.2714   4.0439   3.6283  -3.4122   7.5632  110.089   41.841   98.982   47.345 11.10715 63.18412 
1 1 1   22    8   14 o  155.321   36.480   11.145   3.7476   11.478   4.2320   9.9338   8.0672  171.998   43.203  138.644   58.794 33.35318 72.96015 
1 1 1   22    8   16 o   88.278   40.828   0.2726   4.8433   0.2726   4.8433   0.0000   0.0000   88.278   40.828  ?   ?       ?      ? 
1 1 1   22    8   18 o   93.320   42.595   2.5272   5.0374   2.5272   5.0374   0.0000   0.0000   93.320   42.595  ?   ?       ?      ? 
1 1 1   22    8   20 o   89.648   32.024  -1.7835   7.3284   8.5761   11.241  -9.4404   9.6643  100.030   49.800   79.267   40.277 20.76265 64.04856 
1 1 1   22    9    1 o  135.429   39.129   5.0296   4.8448   2.4322   6.5524   8.1621   7.1958  120.015   51.969  150.844   58.511 -30.82903 78.25821 
1 1 1   22    9    3 o  583.348   17.499  102.649   5.7535  102.807   7.5967  102.437   8.8111  586.377   22.717  580.320   26.624 6.056030 34.99863 
1 1 1   22    9    5 o  165.068   36.389   10.939   4.1936   13.793   5.0823   4.8512   7.4230  197.250   46.023  132.887   56.377 64.36279 72.77702 
1 1 1   22    9    7 o  237.615   36.184   21.281   4.3668   21.760   5.1243   20.011   8.3452  259.940   34.568  215.289   63.578 44.65018 72.36783 
1 1 1   22    9    9 o  134.903   34.959   6.7859   4.0606   9.9754   4.8321  -0.8791   7.4909  161.512   48.539  108.294   50.324 53.21838 69.91851 
1 1 1   22    9   11 o  146.545   32.209   8.2510   2.9772   8.5239   4.2149   7.9792   4.2061  149.026   45.456  144.065   45.644 4.960892 64.41798 
1 1 1   22    9   13 o  101.518   28.087  -0.6501   2.9615  -7.3668   3.8956   8.5466   4.5584   59.804   29.697  143.233   47.681 -83.42847 56.17331 
1 1 1   22    9   15 o  154.064   35.302   10.924   3.3243   10.699   3.6692   11.956   7.8538  167.305   39.151  140.824   58.755 26.48148 70.60386 
1 1 1   22    9   17 o   94.903   45.310   1.0373   6.8595   1.0373   6.8595   0.0000   0.0000   94.903   45.310  ?   ?       ?      ? 
1 1 1   22    9   19 o  160.895   29.062   17.485   4.4477   22.293   4.9497  -2.6788   10.136  233.050   37.242   88.739   44.626 144.3106 58.12421 
1 1 1   22   10    0 o  132.404   48.476   9.1885   6.6781   9.1885   6.6781   9.1885   6.6781  132.404   68.555  132.404   68.555 0.000000 0.000000 
1 1 1   22   10    2 f  107.458   34.037   0.1713   4.2493  -1.1307   5.5806   1.9678   6.5551   98.068   44.790  116.848   51.263 -18.77966 68.07372 
1 1 1   22   10    4 o   94.133   27.538   1.2454   2.5413  -1.0796   3.6986   3.3244   3.4976   80.888   36.757  107.379   41.015 -26.49170 55.07552 
1 1 1   22   10    6 o  393.831   23.295   46.794   3.5872   45.769   3.8599   53.294   9.7169  394.260   17.167  393.403   43.311 0.8568726 46.58906 
1 1 1   22   10    8 o  282.379   32.652   27.485   4.7692   25.288   5.7331   32.421   8.5934  276.286   36.387  288.472   54.226 -12.18561 65.30309 
1 1 1   22   10   10 o  250.731   35.451   23.386   4.5470   21.981   5.3992   26.813   8.4323  254.189   37.246  247.273   60.331 6.915207 70.90224 
1 1 1   22   10   12 o  101.845   32.395   1.5291   3.4684   0.8675   4.0057   3.5110   6.9329   89.451   39.622  114.239   51.262 -24.78853 64.78947 
1 1 1   22   10   14 o  215.182   21.779   15.689   2.5879   15.887   3.3155   15.379   4.1401  221.558   26.241  208.806   34.767 12.75287 43.55853 
1 1 1   22   10   16 o   86.270   41.242  -1.0368   5.7225  -1.0368   5.7225   0.0000   0.0000   86.270   41.242  ?   ?       ?      ? 
1 1 1   22   10   18 o   74.870   25.546  -1.1375   2.9992   0.0411   3.3364  -6.0995   6.8461   72.999   33.805   76.740   38.310 -3.741501 51.09262 
1 1 1   22   10   20 o   84.861   29.200   1.6795   3.2553   0.7819   3.4820   7.9079   9.1720   73.716   34.274   96.007   47.284 -22.29087 58.39909 
1 1 1   22   11    1 o  185.988   41.841   14.238   4.9744   14.104   6.5993   14.414   7.5700  187.603   56.803  184.373   61.449 3.230728 83.68113 
1 1 1   22   11    3 o  763.034   17.661  177.290   7.6829  173.155   10.887  181.392   10.844  753.468   25.336  772.600   24.611 -19.13202 35.32188 
1 1 1   22   11    5 f  660.254   15.555  133.461   5.4084  137.715   6.5825  124.623   9.4880  683.875   16.878  636.633   26.133 47.24188 31.10965 
1 1 1   22   11    7 o  182.598   39.024   12.758   4.2529   9.8942   5.2216   18.402   7.3301  158.081   50.939  207.115   59.133 -49.03328 78.04794 
1 1 1   22   11    9 o  112.016   29.368   4.2638   2.5350   3.1817   3.8305   5.1070   3.3815  104.449   41.998  119.583   41.063 -15.13441 58.73672 
1 1 1   22   11   11 o  116.223   34.514   3.6511   3.3151   2.1863   3.7714   8.6293   6.9526   95.588   40.349  136.859   56.008 -41.27032 69.02811 
1 1 1   22   11   13 o  108.333   33.461   3.6382   3.5583   2.9821   4.1499   5.4597   6.9148   99.664   42.211  117.002   51.931 -17.33761 66.92222 
1 1 1   22   11   15 o   90.517   30.125   0.5160   3.4426   2.2132   7.1300  -0.0000   3.9312  100.791   47.554   80.242   36.996 20.54849 60.24968 
1 1 1   22   11   17 o   91.272   40.936   2.7883   4.4154   2.7883   4.4154   0.0000   0.0000   91.272   40.936  ?   ?       ?      ? 
1 1 1   22   11   19 o  112.279   30.815   7.8847   3.1319   8.4668   3.4726   5.3475   7.2500  129.898   41.508   94.660   45.557 35.23769 61.63085 
1 1 1   22   12    0 o  347.947   31.079   39.621   8.3429   39.621   8.3429   39.621   8.3429  347.947   43.952  347.947   43.952 0.000000 0.000000 
1 1 1   22   12    2 o  228.769   39.923   20.694   5.1283   19.029   6.7305   22.999   7.9182  220.616   53.946  236.922   58.865 -16.30640 79.84508 
1 1 1   22   12    4 o  108.206   31.171   2.8767   3.1526   0.4918   4.6472   4.9102   4.2911   95.692   42.518  120.721   45.593 -25.02945 62.34146 
1 1 1   22   12    6 o  171.177   32.733   11.119   3.2980   12.424   4.6051   9.7448   4.7254  183.718   44.439  158.637   48.074 25.08121 65.46652 
1 1 1   22   12    8 o  332.585   28.087   37.743   4.7872   36.578   5.6700   40.635   8.9335  337.733   29.438  327.436   47.841 10.29739 56.17305 
1 1 1   22   12   10 o  301.396   26.822   28.662   3.6186   26.617   3.9990   37.902   8.5007  292.057   24.010  310.734   47.970 -18.67706 53.64378 
1 1 1   22   12   12 o  149.285   33.716   9.9293   3.1329   10.083   3.5063   9.3188   6.9768  164.451   38.129  134.118   55.618 30.33255 67.43282 
1 1 1   22   12   14 o  124.896   37.072   7.2307   4.9467   15.045   7.1352  -0.0009   6.8641  155.093   58.739   94.699   45.244 60.39327 74.14354 
1 1 1   22   12   16 o   85.388   37.145   2.1389   3.3782   2.1389   3.3782   0.0000   0.0000   85.388   37.145  ?   ?       ?      ? 
1 1 1   22   12   18 o   93.268   28.087   4.1350   2.7376   4.9609   2.9986   0.0000   6.7093  102.635   38.244   83.901   41.145 18.73380 56.17422 
1 1 1   22   13    1 o  134.603   37.865   6.7481   4.3240   7.0192   5.5234   6.3189   6.9495  136.032   51.642  133.175   55.391 2.857071 75.73026 
1 1 1   22   13    3 f  252.548   27.436   21.710   3.8310   25.299   5.5887   18.529   5.2617  276.297   35.468  228.799   41.868 47.49792 54.87186 
1 1 1   22   13    5 o  325.262   22.114   34.199   4.0991   32.796   5.7824   35.617   5.8118  317.770   31.908  332.755   30.626 -14.98483 44.22770 
1 1 1   22   13    7 o  132.518   32.233   6.8077   2.9486   6.9856   4.0430   6.6054   4.3096  134.533   44.910  130.502   46.248 4.031326 64.46584 
1 1 1   22   13    9 o   81.191   25.920  -0.8264   2.5044  -2.6931   3.1739   2.2534   4.0768   65.162   31.030   97.220   41.528 -32.05775 51.84020 
1 1 1   22   13   11 o   83.299   27.357  -0.0682   2.6952   0.4268   3.0053  -2.1018   6.0914   77.322   34.281   89.276   42.644 -11.95398 54.71472 
1 1 1   22   13   13 o  121.236   34.174   5.1179   3.0841   2.8167   3.5100   12.912   6.4595   93.575   39.180  148.897   56.003 -55.32192 68.34808 
1 1 1   22   13   15 o   83.478   28.878  -3.5272   4.4390   2.8297   6.7648  -8.3343   5.8827   97.114   45.971   69.842   34.962 27.27277 57.75562 
1 1 1   22   13   17 f   71.093   32.350   0.5735   2.8772   0.5735   2.8772   0.0000   0.0000   71.093   32.350  ?   ?       ?      ? 
1 1 1   22   14    0 o  132.480   44.889   9.1918   5.5232   9.1918   5.5232   9.1918   5.5232  132.480   63.483  132.480   63.483 0.000000 0.000000 
1 1 1   22   14    2 o   78.354   26.586  -3.8307   3.3188  -2.3636   4.0136  -7.0028   5.9016   76.639   36.010   80.068   39.122 -3.429169 53.17187 
1 1 1   22   14    4 o  177.950   30.723   11.877   3.1521   8.9400   4.3745   15.048   4.5459  150.954   46.357  204.946   40.331 -53.99164 61.44530 
1 1 1   22   14    6 o  365.509   17.063   42.361   2.9721   39.771   6.0351   43.190   3.4150  349.131   30.311  381.887   15.680 -32.75623 34.12676 
1 1 1   22   14    8 o   95.334   27.965   1.3960   2.4892  -0.7733   3.0862   5.4345   4.2109   72.384   33.153  118.284   45.046 -45.89915 55.93061 
1 1 1   22   14   10 o  156.814   30.351   9.4400   2.6949   8.0685   3.3315   12.036   4.5837  144.569   39.353  169.059   46.219 -24.49069 60.70273 
1 1 1   22   14   12 o  151.972   36.287   11.842   3.7206   11.731   4.4537   12.100   6.7689  162.669   45.972  141.275   56.158 21.39401 72.57466 
1 1 1   22   14   14 o  114.489   36.141   8.1005   4.8249   7.5248   7.1823   8.5739   6.5134  111.710   50.940  117.268   51.282 -5.558098 72.28187 
1 1 1   22   14   16 o   68.486   33.030  -1.8095   3.8588  -1.8095   3.8588   0.0000   0.0000   68.486   33.030  ?   ?       ?      ? 
1 1 1   22   15    1 o   94.848   29.250  -0.1813   3.5406   4.5584   4.2707 -10.6009   6.3321  114.189   44.854   75.507   37.556 38.68181 58.50074 
1 1 1   22   15    3 o  153.501   30.731   9.2522   2.9901   12.314   4.1537   5.9589   4.3079  182.895   40.854  124.107   45.919 58.78754 61.46271 
1 1 1   22   15    5 o  112.995   30.448   4.6298   2.7109   4.1642   3.6580   5.1969   4.0377  108.794   41.852  117.195   44.235 -8.401329 60.89587 
1 1 1   22   15    7 o  201.009   25.293   14.265   2.7419   14.222   3.5006   14.334   4.4102  207.341   29.605  194.677   41.018 12.66321 50.58611 
1 1 1   22   15    9 o  247.833   22.121   20.428   2.9401   19.281   3.5750   22.827   5.1682  244.115   25.680  251.552   36.026 -7.437439 44.24176 
1 1 1   22   15   11 o  233.184   27.477   20.957   3.5455   23.588   5.0799   18.459   4.9508  253.186   35.182  213.180   42.216 40.00598 54.95439 
1 1 1   22   15   13 o   95.353   31.078   2.4944   3.4284   6.1133   6.8569   1.2881   3.9588  107.040   49.169   83.666   38.023 23.37426 62.15597 
1 1 1   22   15   15 o   77.414   36.279   0.4549   4.0291   0.4549   4.0291   0.0000   0.0000   77.414   36.279  ?   ?       ?      ? 
1 1 1   22   16    2 o  282.341   23.458   27.059   3.7723   28.865   5.4187   25.361   5.2548  292.392   32.497  272.289   33.840 20.10278 46.91661 
1 1 1   22   16    4 o  146.441   27.314   7.6855   2.7901   1.8994   3.7887   14.541   4.1241   92.421   39.769  200.461   37.452 -108.0402 54.62835 
1 1 1   22   16    6 o   73.755   23.952  -0.7472   2.2285  -1.4876   2.8429   0.4330   3.5892   65.432   30.604   82.077   36.853 -16.64409 47.90302 
1 1 1   22   16    8 o  295.352   19.468   28.166   3.0448   26.872   3.6652   31.049   5.4696  292.173   21.997  298.531   32.127 -6.358337 38.93600 
1 1 1   22   16   10 o  347.992   21.265   42.160   4.2082   43.470   5.8286   40.734   6.0821  356.504   28.669  339.481   31.416 17.02325 42.53033 
1 1 1   22   16   12 o  135.700   27.734   7.3571   2.9798   15.646   4.3918   0.2870   4.0562  191.902   41.350   79.498   36.972 112.4039 55.46877 
1 1 1   22   16   14 o  110.801   34.915   8.7922   4.7899   3.8529   7.2265   12.663   6.3971   94.194   45.371  127.408   53.081 -33.21369 69.82931 
1 1 1   22   17    1 o  140.977   37.494   9.3792   3.9424   8.1015   4.8598   11.838   6.7420  133.850   48.895  148.103   56.856 -14.25298 74.98845 
1 1 1   22   17    3 o  201.351   29.513   16.273   3.3414   11.253   4.8765   20.716   4.5877  158.255   49.002  244.447   32.909 -86.19212 59.02698 
1 1 1   22   17    5 f  209.874   24.736   14.701   2.7891   11.808   3.4049   20.603   4.8625  181.135   34.215  238.613   35.733 -57.47752 49.47232 
1 1 1   22   17    7 o  172.331   29.323   11.806   2.8222   10.157   3.6802   14.161   4.3971  158.499   40.549  186.165   42.369 -27.66591 58.64668 
1 1 1   22   17    9 o  233.364   28.606   21.974   3.6882   21.407   5.4642   22.448   4.9987  223.469   44.440  243.259   36.032 -19.79013 57.21270 
1 1 1   22   17   11 o  105.460   28.230   4.2058   2.8934   9.1477   3.9190  -1.7154   4.2898  137.551   44.110   73.369   35.242 64.18243 56.46000 
1 1 1   22   17   13 o  104.870   33.727   7.4390   4.6010   4.0971   6.9949   9.9876   6.1084   94.012   45.117  115.728   50.145 -21.71558 67.45370 
1 1 1   22   18    2 o   82.799   26.377   0.5819   2.6613   1.7817   3.6811  -0.7320   3.8520   88.326   38.591   77.273   35.968 11.05369 52.75373 
1 1 1   22   18    4 o  124.488   31.031   6.7615   3.0405   3.0625   4.3613   10.259   4.2409   97.292   42.264  151.684   45.448 -54.39149 62.06249 
1 1 1   22   18    6 o  228.416   28.605   20.840   3.6207   18.297   5.0535   23.522   5.1901  207.717   44.027  249.115   36.533 -41.39799 57.21057 
1 1 1   22   18    8 o  251.683   22.888   23.188   3.0041   23.581   3.6659   22.384   5.2416  267.446   24.035  235.919   38.959 31.52690 45.77679 
1 1 1   22   18   10 o  151.060   33.983   12.211   3.3269   13.281   4.6501   11.089   4.7616  161.350   47.406  140.770   48.705 20.57918 67.96675 
1 1 1   22   18   12 o  218.449   30.236   21.872   3.6169   19.695   4.8417   24.620   5.4408  206.342   42.558  230.556   42.961 -24.21432 60.47189 
1 1 1   22   19    1 f   57.506   28.449  -5.3877   3.4508  -5.3877   3.4508   0.0000   0.0000   57.506   28.449  ?   ?       ?      ? 
1 1 1   22   19    3 o  141.615   30.940   9.4094   3.1084   5.0408   4.4831   13.454   4.3136  106.268   44.369  176.962   43.135 -70.69358 61.88076 
1 1 1   22   19    5 o  127.804   29.785   7.3527   3.0782   12.643   4.2794   1.6808   4.4309  167.838   44.126   87.769   40.018 80.06861 59.56959 
1 1 1   22   19    7 f  198.102   27.659   17.107   2.7624   18.648   3.3196   13.635   4.9816  235.708   24.696  160.496   49.499 75.21191 55.31725 
1 1 1   22   19    9 o  108.659   28.641   4.8124   3.0574   10.904   4.1878  -2.1404   4.4739  145.547   45.467   71.772   34.841 73.77454 57.28122 
1 1 1   22   19   11 o   88.913   27.937   3.3580   2.8144   2.1013   3.7277   5.0241   4.2922   81.416   36.960   96.410   41.904 -14.99357 55.87479 
1 1 1   22   20    2 o  127.614   29.223   7.0636   2.9392   13.191   4.2955   1.6684   4.0306  170.214   43.948   85.014   38.530 85.20018 58.44676 
1 1 1   22   20    4 f  146.030   32.431   10.778   3.0844   12.982   4.4202   8.6876   4.3059  164.113   45.595  127.947   46.133 36.16525 64.86259 
1 1 1   22   20    6 o  193.763   29.408   16.930   3.2175   19.464   4.4191   14.071   4.6939  222.100   34.889  165.426   47.350 56.67375 58.81595 
1 1 1   22   20    8 o  140.738   32.140   11.252   3.1664   13.500   4.2437   8.4279   4.7559  165.570   44.139  115.905   46.729 49.66563 64.27943 
1 1 1   22   20   10 o   75.512   24.830   0.8574   2.6079  -0.7388   3.6202   2.5791   3.7599   68.378   32.720   82.646   37.357 -14.26812 49.66041 
1 1 1   22   21    1 o   88.496   29.450   1.9098   3.6466   4.9544   6.0348   0.1587   4.5766   97.870   45.373   79.122   37.558 18.74773 58.90042 
1 1 1   22   21    3 o   63.970   21.894  -2.2953   2.4498  -2.0561   3.5047  -2.5239   3.4256   65.035   31.394   62.906   30.526 2.129635 43.78830 
1 1 1   22   21    5 o  100.760   27.430   4.6883   2.6609   7.9572   3.4709   0.0283   4.1442  126.113   41.589   75.407   35.778 50.70525 54.86094 
1 1 1   22   21    7 o   69.521   23.296  -0.3084   2.4606   0.0785   3.2197  -0.8518   3.8153   69.489   32.523   69.553   33.363 -0.6392670E-01 46.59222 
1 1 1   22   22    0 o   66.027   32.151   0.8530   5.6558   0.8530   5.6558   0.8530   5.6558   66.027   45.469   66.027   45.469 0.000000 0.000000 
1 1 1   22   22    2 o   88.020   27.535   1.4357   2.7344  -2.3151   3.3855   8.4737   4.6375   61.997   30.145  114.043   46.086 -52.04603 55.06919 
1 1 1   22   22    4 o  127.355   30.194   8.9327   3.0192   3.9726   4.1590   14.459   4.3900   89.543   39.975  165.168   45.263 -75.62489 60.38834 
1 1 1   23    0    1 o  299.024   32.048   29.507   7.2031   29.507   7.2031   29.507   7.2031  299.024   45.322  299.024   45.322 0.000000 0.000000 
1 1 1   23    0    3 o   87.285   39.139   2.3149   5.9663   2.3149   5.9663   2.3149   5.9663   87.285   55.350   87.285   55.350 -0.000000 0.000000 
1 1 1   23    0    5 o  373.543   41.667   49.207   11.619   49.207   11.619   49.207   11.619  373.543   58.926  373.543   58.926 0.000000 0.000000 
1 1 1   23    0    7 o  306.914   51.726   37.549   11.111   37.549   11.111   37.549   11.111  306.914   73.151  306.914   73.151 0.000000 0.000000 
1 1 1   23    0    9 o   69.581   32.720  -0.0627   4.9214  -0.0627   4.9214  -0.0627   4.9214   69.581   46.273   69.581   46.273 0.000000 0.000000 
1 1 1   23    0   11 o  119.742   42.607   7.7691   5.0726   7.7691   5.0726   7.7691   5.0726  119.742   60.256  119.742   60.256 0.000000 0.000000 
1 1 1   23    0   13 o  104.244   41.280   6.3645   5.2135   6.3645   5.2135   6.3645   5.2135  104.244   58.379  104.244   58.379 -0.000000 0.000000 
1 1 1   23    0   19 o   54.209   27.669  -5.7761   6.1859  -5.7761   6.1859  -5.7761   6.1859   54.209   39.130   54.209   39.130 0.000000 0.000000 
1 1 1   23    1    0 o  114.865   45.304   6.8194   6.2499   6.8194   6.2499   6.8194   6.2499  114.865   64.069  114.865   64.069 0.000000 0.000000 
1 1 1   23    1    2 o  142.329   34.692   7.4802   3.7198   2.9716   6.2424   9.9626   4.6320  119.016   51.126  165.643   46.908 -46.62696 69.38472 
1 1 1   23    1    4 o  373.744   32.077   45.648   6.4139   58.284   11.653   40.155   7.6825  399.256   51.177  348.232   38.685 51.02487 64.15314 
1 1 1   23    1    6 o  126.835   39.555   2.5026   5.2776  -0.7802   6.4394   9.2201   9.2114  103.381   47.548  150.288   63.227 -46.90714 79.11070 
1 1 1   23    1    8 o  219.826   33.219   18.494   4.1464   23.486   5.6908   12.844   6.0539  263.896   37.814  175.756   54.627 88.13979 66.43758 
1 1 1   23    1   10 o  309.165   20.864   30.361   3.6564   26.621   4.8927   35.092   5.5028  287.441   29.848  330.890   29.161 -43.44916 41.72845 
1 1 1   23    1   12 o  217.496   23.809   16.256   2.8118   12.736   3.9542   19.856   3.9991  187.527   38.270  247.464   28.337 -59.93694 47.61896 
1 1 1   23    1   16 o  116.829   56.354   10.038   11.242   10.038   11.242   0.0000   0.0000  116.829   56.354  ?   ?       ?      ? 
1 1 1   23    1   18 o  136.533   38.994   17.062   5.8271   9.3406   11.189   19.935   6.8258  104.956   51.793  168.111   58.305 -63.15582 77.98728 
1 1 1   23    2    1 o  300.333   30.980   31.051   5.1088   35.657   7.1945   26.367   7.2558  329.564   38.279  271.102   48.722 58.46210 61.96097 
1 1 1   23    2    3 o  224.570   45.023   20.079   5.6918   26.549   10.257   17.199   6.8419  240.408   70.339  208.732   56.220 31.67635 90.04567 
1 1 1   23    2    5 o  144.008   34.917   7.4200   4.0683   12.315   5.3395   0.6450   6.2816  180.019   50.147  107.998   48.600 72.02158 69.83340 
1 1 1   23    2    7 o  182.537   34.353   12.605   3.6524   14.540   5.3512   10.918   4.9975  196.626   48.115  168.447   49.046 28.17839 68.70578 
1 1 1   23    2    9 o  292.641   36.107   30.080   4.2051   28.754   4.5769   37.260   10.651  303.298   26.461  281.983   67.191 21.31436 72.21381 
1 1 1   23    2   11 o  166.073   41.925   12.722   4.5937   11.530   5.2308   16.739   9.6045  164.766   50.707  167.380   66.781 -2.613724 83.84998 
1 1 1   23    2   13 o  136.080   39.624   5.4262   3.9807   2.1041   4.3976   20.500   9.3673   96.145   42.088  176.014   67.149 -79.86928 79.24874 
1 1 1   23    2   17 o   84.119   29.127  -2.0870   4.5805  -0.9631   7.2653  -2.8284   5.9010   88.550   43.296   79.688   38.975 8.862221 58.25483 
1 1 1   23    2   19 o   94.348   33.005   5.0487   6.5137   5.3056   7.8252   4.4691   11.754   94.992   46.105   93.704   47.241 1.287994 66.01030 
1 1 1   23    3    0 o   91.095   37.734   3.7390   4.6503   3.7390   4.6503   3.7390   4.6503   91.095   53.364   91.095   53.364 0.000000 0.000000 
1 1 1   23    3    2 o  204.794   30.506   14.152   3.3159   16.424   5.6726   12.973   4.0869  212.787   47.901  196.800   37.788 15.98636 61.01157 
1 1 1   23    3    4 f  456.281   20.378   65.388   5.0220   66.873   6.2519   62.685   8.4317  470.310   23.310  442.251   33.431 28.05878 40.75547 
1 1 1   23    3    6 o  558.085   16.880   94.481   5.3615  100.697   7.8928   89.155   7.3058  574.754   24.080  541.416   23.662 33.33795 33.75955 
1 1 1   23    3    8 o  210.490   39.809   19.415   4.8027   20.037   5.5012   17.419   9.8479  240.887   40.045  180.093   68.815 60.79419 79.61863 
1 1 1   23    3   10 o  147.358   33.324   10.035   3.7400   12.132   4.0874  -0.7526   9.2698  183.079   40.246  111.637   53.125 71.44262 66.64819 
1 1 1   23    3   12 o  149.333   40.210   7.2017   3.7726   4.2651   4.1381   21.658   9.1815  109.515   43.787  189.151   67.454 -79.63585 80.41978 
1 1 1   23    3   14 o  192.248   43.827   24.664   6.7930   33.523   8.9741   12.778   10.395  250.813   62.864  133.684   61.085 117.1293 87.65413 
1 1 1   23    3   16 o  146.793   35.626   12.052   3.8193   13.374   4.8222   9.8272   6.2563  166.927   48.056  126.660   52.608 40.26706 71.25286 
1 1 1   23    3   18 o   99.425   34.032   5.5181   6.2245  -0.9663   10.705   8.8300   7.6507   91.086   45.813  107.763   50.337 -16.67676 68.06402 
1 1 1   23    4    1 o   96.102   32.291  -4.2114   4.7830 -11.9714   8.8882  -1.0481   5.6748   94.061   46.368   98.142   44.952 -4.081703 64.58105 
1 1 1   23    4    3 o  162.980   35.136   10.592   3.6999   7.2118   6.5655   12.165   4.4788  140.415   55.468  185.546   43.143 -45.13187 70.27100 
1 1 1   23    4    5 o  182.763   33.940   13.199   3.5649   14.456   4.2901   10.394   6.4080  206.662   37.794  158.863   56.385 47.79861 67.87922 
1 1 1   23    4    7 o  154.980   32.447   10.696   3.4711   12.606   3.7779   0.3461   8.7940  193.408   35.562  116.552   54.283 76.85544 64.89469 
1 1 1   23    4    9 o  135.540   38.696   6.4937   3.8659   5.5015   4.2843   10.843   8.9695  122.399   45.693  148.681   62.463 -26.28245 77.39169 
1 1 1   23    4   11 o  124.988   37.634   5.7572   4.1881   4.9180   4.7762   8.5495   8.7126  115.887   46.791  134.089   58.957 -18.20255 75.26801 
1 1 1   23    4   13 o  108.235   33.783   2.4677   4.8334   8.0643   5.7955 -10.3177   8.7596  129.607   51.819   86.863   43.359 42.74432 67.56643 
1 1 1   23    4   15 o  154.985   34.815   10.801   4.9480   25.031   6.9987  -3.4183   6.9964  223.359   55.250   86.612   42.378 136.7475 69.63065 
1 1 1   23    4   17 o   81.321   28.025  -1.1212   3.3989  -1.9301   3.8457   1.7656   7.2652   69.440   33.358   93.203   45.042 -23.76340 56.04966 
1 1 1   23    4   19 o  100.289   32.099   5.9952   4.2265   0.5036   6.0889   11.101   5.8713   82.030   40.006  118.548   50.208 -36.51803 64.19760 
1 1 1   23    5    0 o  164.149   47.917   12.702   6.2920   12.702   6.2920   12.702   6.2920  164.149   67.765  164.149   67.765 0.000000 0.000000 
1 1 1   23    5    2 o  114.331   33.841   2.7040   3.4595   5.7775   6.2125   1.3225   4.1651  131.554   53.278   97.107   41.740 34.44640 67.68111 
1 1 1   23    5    4 o  479.064   16.476   69.574   4.3679   69.720   7.0634   69.483   5.5579  475.918   26.025  482.211   20.211 -6.293610 32.95105 
1 1 1   23    5    6 o  505.402   25.813   84.336   6.3604   83.943   7.3649   85.487   12.615  522.840   24.701  487.964   45.333 34.87619 51.62589 
1 1 1   23    5    8 o  479.173   17.914   71.194   4.8889   76.271   7.0778   66.560   6.7611  495.960   25.024  462.387   25.640 33.57346 35.82747 
1 1 1   23    5   10 o  111.946   35.185   0.5010   3.4376  -1.7981   3.7829   11.399   8.2359   75.571   35.332  148.321   60.858 -72.74959 70.37082 
1 1 1   23    5   12 o   90.648   30.416  -1.5738   4.2128   0.8779   4.8757  -8.7961   8.3682   93.087   42.263   88.209   43.755 4.878220 60.83285 
1 1 1   23    5   14 o  136.042   39.565   10.393   4.6352   9.1304   5.3956   13.948   9.0558  133.493   50.954  138.591   60.541 -5.097382 79.12938 
1 1 1   23    5   16 o  100.314   46.313   4.0393   6.1924   4.0393   6.1924   0.0000   0.0000  100.314   46.313  ?   ?       ?      ? 
1 1 1   23    5   18 o   67.893   23.908  -4.6885   3.3611  -5.2545   4.1222  -3.5658   5.8057   61.283   30.451   74.502   36.865 -13.21965 47.81560 
1 1 1   23    6    1 o  232.387   30.853   20.141   3.7687   14.288   6.0417   23.869   4.8218  190.129   53.478  274.645   30.786 -84.51604 61.70614 
1 1 1   23    6    3 o  217.387   32.162   23.174   3.4220   26.110   3.7230   7.1834   8.6881  294.090   22.198  140.684   60.372 153.4063 64.32343 
1 1 1   23    6    5 o   83.682   27.583  -2.1334   3.2230  -2.9205   4.4810  -1.2897   4.6391   79.938   37.710   87.426   40.264 -7.488068 55.16583 
1 1 1   23    6    7 o  164.736   39.420   9.0494   3.5743   7.0233   3.9359   18.583   8.5375  136.742   44.242  192.730   65.257 -55.98787 78.84075 
1 1 1   23    6    9 f  172.848   38.476   12.343   3.7514   11.548   4.1699   15.718   8.5918  176.012   42.107  169.684   64.410 6.328110 76.95274 
1 1 1   23    6   11 f  219.013   42.043   22.075   5.0676   19.901   6.0154   27.390   9.4055  219.126   49.326  218.899   68.098 0.2277679 84.08576 
1 1 1   23    6   13 o  122.310   38.008   6.7431   4.7809   4.3464   5.7835   11.915   8.4962  108.445   47.844  136.174   59.072 -27.72939 76.01636 
1 1 1   23    6   15 o  108.341   46.950   5.5465   5.3564   5.5465   5.3564   0.0000   0.0000  108.341   46.950  ?   ?       ?      ? 
1 1 1   23    6   17 o   77.078   26.760  -1.8540   3.5969  -0.9840   4.0282  -5.2764   7.9892   72.968   34.805   81.189   40.658 -8.221260 53.52032 
1 1 1   23    7    0 o  404.335   24.673   50.968   7.9081   50.968   7.9081   50.968   7.9081  404.335   34.893  404.335   34.893 0.000000 0.000000 
1 1 1   23    7    2 o  255.387   40.233   26.458   5.6174   26.748   7.2141   26.013   8.9528  268.155   48.979  242.619   63.841 25.53618 80.46519 
1 1 1   23    7    4 o  228.123   37.494   17.629   4.4645   12.818   5.2339   30.481   8.5541  181.866   49.250  274.380   56.548 -92.51379 74.98827 
1 1 1   23    7    6 o  261.613   36.344   26.731   4.5222   26.885   5.2127   26.264   9.0921  287.703   31.770  235.523   65.378 52.18005 72.68849 
1 1 1   23    7    8 o  140.604   39.143   6.6853   4.3339   3.0628   5.1356   15.648   8.0782  107.911   46.365  173.296   63.079 -65.38400 78.28606 
1 1 1   23    7   10 o  168.414   34.847   12.757   3.3654   13.017   3.6679   11.372   8.4634  193.210   34.557  143.617   60.523 49.59259 69.69394 
1 1 1   23    7   12 o  132.574   38.476   7.8118   4.2365   5.2793   4.9828   14.418   8.0475  113.592   47.046  151.557   60.897 -37.96448 76.95287 
1 1 1   23    7   14 o   90.401   30.837  -1.1106   3.7500  -2.9519   4.2569   5.2696   7.9241   71.706   34.611  109.097   51.047 -37.39030 61.67453 
1 1 1   23    7   16 o  168.434   53.229   16.386   5.7228   16.386   5.7228   0.0000   0.0000  168.434   53.229  ?   ?       ?      ? 
1 1 1   23    7   18 o   86.577   29.699   1.9521   4.1564   0.8709   4.8740   4.8345   7.9584   80.079   38.221   93.076   45.468 -12.99751 59.39881 
1 1 1   23    8    1 o  270.435   37.985   31.011   5.5984   38.925   7.2828   19.579   8.7530  340.003   37.560  200.868   66.035 139.1342 75.96920 
1 1 1   23    8    3 o  171.729   38.164   12.637   4.1657   13.267   4.9559   11.119   7.6895  187.533   46.556  155.926   60.485 31.60692 76.32705 
1 1 1   23    8    5 o  528.160   16.573   85.773   4.9327   84.739   7.5301   86.549   6.5283  522.287   25.281  534.033   21.436 -11.74652 33.14585 
1 1 1   23    8    7 o  186.630   31.071   13.413   3.2751   11.245   4.8766   15.195   4.4205  166.607   48.431  206.652   38.937 -40.04427 62.14246 
1 1 1   23    8    9 o  252.169   26.995   22.584   3.6319   30.140   5.3064   15.925   4.9816  301.446   30.867  202.893   44.296 98.55284 53.98970 
1 1 1   23    8   11 o  208.996   37.371   18.536   3.9818   17.172   4.4893   23.566   8.6210  219.119   35.926  198.874   65.543 20.24467 74.74290 
1 1 1   23    8   13 o  133.019   36.444   9.0780   3.7007   8.5629   4.1452   11.101   8.2146  136.994   45.463  129.044   56.971 7.949844 72.88725 
1 1 1   23    8   15 o  134.694   51.657   10.999   5.5620   10.999   5.5620   0.0000   0.0000  134.694   51.657  ?   ?       ?      ? 
1 1 1   23    8   17 o   92.741   30.509   3.9351   3.7990   4.2725   4.3389   2.8265   7.8642   94.148   41.493   91.333   44.739 2.814995 61.01851 
1 1 1   23    9    2 o  377.703   20.450   46.060   4.0085   47.388   4.8412   43.165   7.1487  395.277   21.476  360.129   34.808 35.14801 40.90001 
1 1 1   23    9    4 o  281.365   22.655   26.607   3.4837   30.616   4.6256   21.353   5.2955  312.850   25.926  249.880   37.160 62.97017 45.31080 
1 1 1   23    9    6 o  119.041   34.607   3.8378   2.9416   2.8072   3.2164   9.1075   7.2729   97.664   38.746  140.419   57.353 -42.75584 69.21439 
1 1 1   23    9    8 o   80.868   26.704  -3.4809   3.5034   1.7099   4.0760 -18.1619   6.8547   93.778   40.798   67.958   34.467 25.81960 53.40821 
1 1 1   23    9   10 o   71.434   25.099  -4.8191   2.9958  -4.2016   3.3256  -7.4769   6.8997   60.902   29.672   81.966   40.490 -21.06403 50.19799 
1 1 1   23    9   12 o  105.851   43.802  -7.2377   2.7692 -15.4497   3.6115   4.4793   4.3139  ?   ?   105.851   43.802      ?      ? 
1 1 1   23    9   14 o   90.770   28.475   1.9159   3.3873   4.9173   3.8281  -8.9113   7.2707  105.029   42.072   76.511   38.382 28.51781 56.94904 
1 1 1   23    9   16 o   75.883   36.337  -0.6696   4.4826  -0.6696   4.4826   0.0000   0.0000   75.883   36.337  ?   ?       ?      ? 
1 1 1   23   10    1 o  122.588   36.189   3.9736   4.8965  -4.9924   7.7652   9.8917   6.3088   96.106   46.474  149.070   55.487 -52.96385 72.37891 
1 1 1   23   10    3 o  139.603   34.282   7.7987   3.3449   6.5506   4.5364   9.2858   4.9518  129.435   47.246  149.771   49.689 -20.33630 68.56482 
1 1 1   23   10    5 o  117.632   28.641   4.1858   2.6971   0.0621   3.6818   8.9611   3.9620   83.015   37.296  152.249   43.476 -69.23366 57.28175 
1 1 1   23   10    7 o  109.153   33.363   2.6400   3.2918   1.0070   3.7788   7.7782   6.7031   87.822   38.713  130.484   54.347 -42.66261 66.72536 
1 1 1   23   10    9 o  112.891   33.691   4.9723   3.7345   5.8869   4.4101   2.6540   7.0210  118.889   45.893  106.893   49.338 11.99636 67.38242 
1 1 1   23   10   11 f   96.249   31.272   1.3875   3.2900   0.1734   3.7441   5.5020   6.8924   80.291   36.677  112.207   50.662 -31.91627 62.54470 
1 1 1   23   10   13 o  119.086   35.466   5.2718   3.4791   2.2472   3.9361   16.075   7.4390   89.126   39.388  149.045   58.990 -59.91895 70.93103 
1 1 1   23   10   15 o   77.912   37.112  -0.3269   4.5470  -0.3269   4.5470   0.0000   0.0000   77.912   37.112  ?   ?       ?      ? 
1 1 1   23   10   17 o  106.390   34.224   9.8846   4.7979   11.623   6.0739   7.0003   7.8244  117.196   50.390   95.584   46.326 21.61115 68.44890 
1 1 1   23   11    2 o  286.004   25.366   28.123   4.1328   26.747   5.8258   29.516   5.8636  277.706   36.786  294.302   34.936 -16.59644 50.73201 
1 1 1   23   11    4 o  316.549   22.530   33.431   4.0323   33.660   5.3996   33.143   6.0628  321.062   29.490  312.036   34.070 9.026123 45.06051 
1 1 1   23   11    6 o  148.593   33.945   9.5260   3.3764   7.3628   4.8324   11.589   4.7195  130.722   48.581  166.464   47.421 -35.74243 67.88905 
1 1 1   23   11    8 o  111.260   30.934   4.3985   2.6913   6.7033   4.8636   3.3813   3.2310  123.315   48.029   99.206   38.999 24.10892 61.86851 
1 1 1   23   11   10 o   84.285   28.518  -1.7106   3.1937  -3.1318   3.6786   2.6392   6.4357   66.928   32.271  101.641   47.027 -34.71281 57.03514 
1 1 1   23   11   12 o  123.307   35.162   7.0006   3.2962   5.3148   3.7342   12.948   7.0137  109.174   42.205  137.440   56.250 -28.26687 70.32340 
1 1 1   23   11   14 o   81.504   26.804   0.9243   3.0118   2.3774   3.3626  -4.9686   6.7718   85.150   37.050   77.858   38.744 7.291328 53.60782 
1 1 1   23   11   16 o   83.184   41.145   0.0000   7.2064   0.0000   7.2064   0.0000   0.0000   83.184   41.145  ?   ?       ?      ? 
1 1 1   23   12    1 o   88.533   29.906  -2.5677   4.1112  -3.3135   6.8280  -2.1436   5.1493   92.133   44.309   84.934   40.176 7.198936 59.81108 
1 1 1   23   12    3 o  201.718   32.107   16.158   3.6120   17.619   5.0665   14.648   5.1508  214.882   42.847  188.554   47.828 26.32759 64.21408 
1 1 1   23   12    5 o  295.184   21.278   29.509   3.2919   30.649   4.0319   27.230   5.7017  313.261   22.569  277.107   36.079 36.15329 42.55669 
1 1 1   23   12    7 o  309.804   23.641   33.574   4.1758   34.368   5.9825   32.819   5.8314  313.288   33.485  306.320   33.381 6.967529 47.28172 
1 1 1   23   12    9 o  133.902   36.982   9.3803   3.9571   8.5418   4.8285   11.095   6.9052  132.166   48.667  135.638   55.698 -3.472458 73.96473 
1 1 1   23   12   11 o  153.213   33.537   11.720   3.1329   11.507   3.4794   12.635   7.2010  171.922   36.610  134.504   56.201 37.41777 67.07352 
1 1 1   23   12   13 o  145.514   31.312   12.946   3.7688   16.164   4.4249   4.4429   7.1926  192.468   41.532   98.561   46.871 93.90697 62.62478 
1 1 1   23   12   15 o   74.110   34.554   0.5650   3.5791   0.5650   3.5791   0.0000   0.0000   74.110   34.554  ?   ?       ?      ? 
1 1 1   23   13    2 o   91.099   28.459   1.4094   2.9157   2.0935   4.0746   0.6916   4.1742   94.410   40.931   87.788   39.551 6.621559 56.91773 
1 1 1   23   13    4 o  133.643   32.190   7.1517   3.4417   12.899   4.9211   1.6490   4.8153  172.245   48.200   95.042   42.679 77.20367 64.37984 
1 1 1   23   13    6 o  144.685   31.513   8.8956   3.1399   4.7941   4.3171   13.502   4.5751  109.372   44.372  179.998   44.759 -70.62582 63.02537 
1 1 1   23   13    8 o   92.748   28.469   2.4588   2.8466   3.5070   3.6767   0.8902   4.4977   98.183   40.518   87.313   40.002 10.87043 56.93726 
1 1 1   23   13   10 f  135.330   31.073   9.9200   3.6095   13.538   4.3049   1.3570   6.6233  176.693   43.105   93.966   44.768 82.72761 62.14691 
1 1 1   23   13   12 o   99.241   31.162   3.6926   2.9485   2.3660   3.3174   8.6828   6.4340   85.139   36.922  113.342   50.210 -28.20252 62.32408 
1 1 1   23   13   14 o   65.308   30.863  -0.7241   3.0255  -0.7241   3.0255   0.0000   0.0000   65.308   30.863  ?   ?       ?      ? 
1 1 1   23   14    1 o  104.286   32.329   3.5000   3.7108   2.3275   5.3867   4.5589   5.1193   99.405   44.843  109.168   46.581 -9.763092 64.65837 
1 1 1   23   14    3 o  320.935   23.182   36.145   4.2250   34.557   6.1275   37.586   5.8336  310.870   34.563  331.000   30.904 -20.13016 46.36423 
1 1 1   23   14    5 o  181.969   32.176   14.199   3.3405   12.950   4.6831   15.492   4.7664  171.236   46.677  192.701   44.299 -21.46486 64.35162 
1 1 1   23   14    7 o  132.710   32.380   8.3277   2.9870   8.7124   4.0925   7.8890   4.3696  137.422   45.152  127.998   46.423 9.423965 64.75941 
1 1 1   23   14    9 o   86.873   26.068   2.1235   2.4734   4.0469   3.0306  -1.7128   4.2802   99.473   38.135   74.273   35.550 25.20023 52.13572 
1 1 1   23   14   11 o   96.090   30.269   3.8754   3.0960   3.4717   3.5751   5.0862   6.1915   92.284   39.137   99.896   46.187 -7.612106 60.53893 
1 1 1   23   14   13 o   89.234   27.818   3.3983   3.0748   5.2813   3.5314  -2.5039   6.2520  101.363   40.477   77.105   38.171 24.25883 55.63663 
1 1 1   23   15    2 o  158.231   28.918   10.590   3.0882   4.3520   4.3112   17.165   4.4259  104.590   43.575  211.871   38.027 -107.2805 57.83513 
1 1 1   23   15    4 o  141.419   31.920   9.1025   3.0069   6.6830   4.1506   11.775   4.3621  120.166   44.952  162.672   45.330 -42.50571 63.83926 
1 1 1   23   15    6 o  287.421   23.867   30.403   3.9060   29.500   5.3528   31.431   5.7124  284.268   33.019  290.575   34.472 -6.307526 47.73432 
1 1 1   23   15    8 o  231.712   26.160   21.691   3.1057   24.733   4.0024   17.086   4.9236  269.957   25.997  193.468   45.405 76.48894 52.32070 
1 1 1   23   15   10 o  111.108   31.042   6.6448   3.0587   8.2628   4.0643   4.5313   4.6450  124.757   44.838   97.458   42.943 27.29865 62.08474 
1 1 1   23   15   12 o  135.056   35.998   11.475   3.4995   9.2748   4.1106   17.271   6.6706  127.314   45.163  142.798   56.069 -15.48416 71.99544 
1 1 1   23   16    1 o  106.500   34.280   5.0078   4.4947   6.5240   7.0823   3.9853   5.8160  111.209   50.662  101.790   46.193 9.418671 68.55941 
1 1 1   23   16    3 o  237.062   28.584   22.817   3.7779   22.829   5.2318   22.804   5.4611  241.039   38.060  233.084   42.656 7.955124 57.16777 
1 1 1   23   16    5 o  103.708   29.627   4.7511   2.6968   4.1492   3.6239   5.4980   4.0371   99.326   40.517  108.090   43.238 -8.763329 59.25480 
1 1 1   23   16    7 o  117.393   31.294   7.0486   2.9100   8.4932   4.1158   5.6046   4.1149  128.394   45.229  106.392   43.262 22.00204 62.58785 
1 1 1   23   16    9 o   97.300   27.902   2.8411   2.5266  -0.4985   3.1480   8.8872   4.2358   68.159   31.982  126.441   45.730 -58.28222 55.80388 
1 1 1   23   16   11 o  131.739   29.927   10.118   3.1966   14.539   4.2107   4.1056   4.9109  172.623   42.947   90.856   41.689 81.76736 59.85362 
1 1 1   23   17    2 o  100.242   28.420   4.1826   2.6433   6.4173   3.6290   1.6570   3.8580  116.228   42.283   84.255   37.985 31.97346 56.83949 
1 1 1   23   17    4 o  145.138   30.229   10.295   3.0612   5.4696   4.3487   15.035   4.3100  104.805   43.723  185.472   41.754 -80.66716 60.45743 
1 1 1   23   17    6 o  233.569   27.601   22.996   3.4958   26.378   4.8347   19.290   5.0605  264.239   32.083  202.899   44.920 61.34029 55.20130 
1 1 1   23   17    8 o  129.835   31.762   9.3482   2.9503   7.5038   4.1892   11.163   4.1558  114.318   44.561  145.352   45.274 -31.03326 63.52473 
1 1 1   23   17   10 o   92.603   27.927   2.7244   2.8737  -2.0900   3.7981   9.1713   4.3951   65.240   31.769  119.965   45.940 -54.72534 55.85494 
1 1 1   23   18    1 o  113.948   35.297   8.3366   4.2490   12.984   6.9384   5.5480   5.3747  126.643   54.138  101.254   45.306 25.38892 70.59388 
1 1 1   23   18    3 o  111.386   30.644   6.3836   2.9814   3.3969   4.1536   9.5578   4.2820   90.997   40.325  131.774   46.153 -40.77695 61.28850 
1 1 1   23   18    5 o   98.675   30.144   5.1277   3.1147   5.7581   4.3645   4.4733   4.4465  102.240   43.294   95.110   41.956 7.129745 60.28873 
1 1 1   23   18    7 o  111.271   31.148   7.2048   2.9039   6.1606   3.8204   8.6337   4.4691  105.261   42.077  117.281   45.939 -12.01981 62.29692 
1 1 1   23   19    0 o   53.157   27.141  -5.7689   5.9760  -5.7689   5.9760  -5.7689   5.9760   53.157   38.383   53.157   38.383 -0.000000 0.000000 
1 1 1   23   19    2 o  106.532   32.518   6.7720   4.4151  -3.3177   7.0046   13.423   5.6870   77.964   38.894  135.100   52.125 -57.13560 65.03621 
1 1 1   23   19    4 o  115.867   32.351   8.4984   3.1560   8.7601   4.5336   8.2523   4.3961  116.922   46.123  114.812   45.377 2.109550 64.70229 
1 1 1   24    0    0 o  111.591   49.009   4.9384   8.8507   4.9384   8.8507   4.9384   8.8507  111.591   69.310  111.591   69.310 0.000000 0.000000 
1 1 1   24    0    2 o   89.627   40.061   3.4897   6.1959   3.4897   6.1959   3.4897   6.1959   89.627   56.655   89.627   56.655 -0.000000 0.000000 
1 1 1   24    0    4 o  271.246   36.190   26.708   7.0943   26.708   7.0943   26.708   7.0943  271.246   51.180  271.246   51.180 0.000000 0.000000 
1 1 1   24    0    6 o   59.873   28.973  -1.4013   4.4317  -1.4013   4.4317  -1.4013   4.4317   59.873   40.974   59.873   40.974 0.000000 0.000000 
1 1 1   24    0    8 o   95.752   44.962   4.5939   9.2379   4.5939   9.2379   4.5939   9.2379   95.752   63.586   95.752   63.586 -0.000000 0.000000 
1 1 1   24    0   10 o  154.310   38.148   10.670   4.2976   10.670   4.2976   10.670   4.2976  154.310   53.950  154.310   53.950 0.000000 0.000000 
1 1 1   24    0   12 o  321.015   43.153   43.560   9.9983   43.560   9.9983   43.560   9.9983  321.015   61.027  321.015   61.027 -0.000000 0.000000 
1 1 1   24    0   14 o   89.717   37.628   5.4411   4.7273   5.4411   4.7273   5.4411   4.7273   89.717   53.213   89.717   53.213 0.000000 0.000000 
1 1 1   24    0   16 o  225.927   53.897   30.958   8.7820   30.958   8.7820   30.958   8.7820  225.927   76.223  225.927   76.223 0.000000 0.000000 
1 1 1   24    1    1 o  227.908   26.712   19.553   3.1497   30.367   4.4219   8.4165   4.4876  311.642   24.880  144.175   47.277 167.4676 53.42439 
1 1 1   24    1    3 o  264.483   29.217   24.604   3.9252   27.495   7.1518   23.357   4.6956  262.457   49.600  266.508   30.895 -4.050354 58.43478 
1 1 1   24    1    5 o  302.645   24.386   27.849   3.9380   43.263   7.3336   21.603   4.6681  351.578   36.577  253.712   32.263 97.86636 48.77237 
1 1 1   24    1    7 o  115.187   36.123   4.4235   5.1293  -3.8086   9.6207   7.6929   6.0629  101.473   49.659  128.900   52.474 -27.42664 72.24668 
1 1 1   24    1    9 o  120.262   32.005   4.7421   3.6664   11.850   5.1657  -2.4734   5.2047  158.679   50.617   81.845   39.182 76.83419 64.01017 
1 1 1   24    1   11 o  127.919   33.879   9.0819   3.9967   10.876   4.3740   0.0068   9.8372  154.688   46.112  101.150   49.648 53.53843 67.75819 
1 1 1   24    1   13 o   87.666   42.693  -1.0142   6.8642  -1.0142   6.8642   0.0000   0.0000   87.666   42.693  ?   ?       ?      ? 
1 1 1   24    1   15 o  216.847   31.832   23.439   4.0924   34.465   5.9744   13.691   5.6173  290.941   36.008  142.753   52.503 148.1879 63.66446 
1 1 1   24    2    0 o  117.479   45.915   8.1741   6.3543   8.1741   6.3543   8.1741   6.3543  117.479   64.933  117.479   64.933 -0.000000 0.000000 
1 1 1   24    2    2 o  138.649   38.436   8.6124   4.4485   9.5101   6.2227   7.6742   6.3618  144.160   54.793  133.139   53.916 11.02182 76.87145 
1 1 1   24    2    4 f  285.254   26.236   26.164   4.0814   20.389   4.9701   38.123   7.1521  242.610   35.922  327.898   38.247 -85.28790 52.47154 
1 1 1   24    2    6 o  225.456   28.671   19.080   3.5217   15.084   5.0965   22.732   4.8719  192.696   46.835  258.215   33.085 -65.51831 57.34222 
1 1 1   24    2    8 o  120.629   33.704   6.3353   3.4502   6.9387   4.1789   5.0432   6.1153  127.442   45.501  113.815   49.733 13.62672 67.40713 
1 1 1   24    2   10 o  155.855   38.812   12.496   3.9261   11.553   4.2987   17.240   9.6416  164.194   44.704  147.515   63.459 16.67867 77.62434 
1 1 1   24    2   12 o  242.900   50.015   40.424   7.2291   34.455   9.2838   49.618   11.522  227.081   67.058  258.719   74.225 -31.63823 100.0303 
1 1 1   24    2   14 o   86.245   30.362  -0.9906   4.1679  -1.8604   4.5073   4.1422   10.949   73.505   35.512   98.986   49.258 -25.48045 60.72458 
1 1 1   24    2   16 f  109.843   31.786   6.7697   3.2293   3.3745   4.1660   11.881   5.1116   87.873   39.557  131.814   49.766 -43.94081 63.57275 
1 1 1   24    3    1 o  125.593   36.812   6.2811   4.3243   6.8138   6.1156   5.7484   6.1154  128.383   52.533  122.802   51.583 5.580544 73.62392 
1 1 1   24    3    3 f   89.057   29.832  -2.3536   4.0571  -0.8892   5.7417  -3.8138   5.7336   93.405   43.623   84.710   40.704 8.695221 59.66373 
1 1 1   24    3    5 o  262.583   36.064   29.673   5.2325   19.138   7.5151   39.586   7.2899  193.192   60.991  331.974   38.506 -138.7817 72.12897 
1 1 1   24    3    7 f  215.466   29.873   17.694   3.5011   17.283   4.4703   18.346   5.6310  221.161   35.443  209.770   48.097 11.39137 59.74558 
1 1 1   24    3    9 o  250.327   39.027   33.644   5.2636   36.120   6.0735   26.174   10.550  320.195   33.261  180.458   70.612 139.7374 78.05371 
1 1 1   24    3   11 o  249.215   37.990   35.693   4.9223   37.483   5.4815   28.238   11.187  330.041   29.123  168.389   70.177 161.6525 75.98019 
1 1 1   24    3   13 o  147.733   49.070   11.700   4.8287   11.700   4.8287   0.0000   0.0000  147.733   49.070  ?   ?       ?      ? 
1 1 1   24    3   15 o  141.903   35.277   12.963   3.6902   11.650   5.8386   13.836   4.7620  125.834   51.391  157.972   48.342 -32.13776 70.55469 
1 1 1   24    4    0 o   61.417   29.169  -0.4966   4.0862  -0.4966   4.0862  -0.4966   4.0862   61.417   41.251   61.417   41.251 -0.000000 0.000000 
1 1 1   24    4    2 o  219.651   28.389   18.046   3.3687   12.451   4.8801   23.140   4.6559  174.637   47.667  264.665   30.847 -90.02805 56.77765 
1 1 1   24    4    4 o  160.680   33.680   8.0252   3.0139   4.8671   3.4258   18.839   6.3394  114.128   41.149  207.233   53.330 -93.10519 67.35952 
1 1 1   24    4    6 o  349.249   21.970   38.788   3.9321   35.924   4.5962   46.607   7.5943  337.439   23.884  361.059   36.882 -23.62003 43.94021 
1 1 1   24    4    8 o  153.996   39.273   13.288   4.6140   13.788   5.3434   11.822   9.1480  172.795   50.830  135.196   59.882 37.59901 78.54658 
1 1 1   24    4   10 o  194.433   41.999   23.785   5.5270   24.710   6.6148   21.644   10.060  230.648   51.582  158.218   66.294 72.42964 83.99741 
1 1 1   24    4   12 o   98.566   33.350  -0.7720   3.9592  -4.6562   4.4450   14.140   8.7094   67.462   33.165  129.669   57.871 -62.20725 66.70093 
1 1 1   24    4   14 o  180.496   59.265   22.672   7.0510   22.672   7.0510   0.0000   0.0000  180.496   59.265  ?   ?       ?      ? 
1 1 1   24    4   16 o  100.003   31.526   6.0104   3.7638   10.529   5.5356   2.1255   5.1327  116.646   49.041   83.360   39.629 33.28615 63.05127 
1 1 1   24    5    1 o  125.183   36.418   6.2540   4.3076   3.4204   6.0795   9.1107   6.1044  110.514   48.890  139.852   53.991 -29.33759 72.83665 
1 1 1   24    5    3 o   98.658   32.217   0.1600   4.3456  -3.0543   6.3897   2.9262   5.9276   90.014   43.177  107.302   47.826 -17.28825 64.43334 
1 1 1   24    5    5 o  434.514   20.435   60.933   3.9225   63.449   8.9131   60.329   4.3682  421.026   37.122  448.001   17.098 -26.97491 40.86984 
1 1 1   24    5    7 f  268.714   38.713   29.250   5.2763   23.565   6.1831   44.482   10.121  238.664   47.101  298.765   61.451 -60.10133 77.42518 
1 1 1   24    5    9 o  247.324   35.860   33.217   4.1597   35.321   4.5549   22.647   10.209  330.914   24.136  163.735   67.536 167.1791 71.71910 
1 1 1   24    5   11 f  167.574   44.516   19.844   5.5537   16.900   6.7628   25.939   9.7324  163.698   57.944  171.450   67.595 -7.752029 89.03109 
1 1 1   24    5   13 o   80.899   39.494  -1.8815   5.9763  -1.8815   5.9763   0.0000   0.0000   80.899   39.494  ?   ?       ?      ? 
1 1 1   24    5   15 f   93.630   31.986   3.7869   4.5251   1.3363   5.2740   10.625   8.8102   82.902   39.621  104.359   50.224 -21.45722 63.97112 
1 1 1   24    6    0 o   72.586   32.747   1.6880   4.2536   1.6880   4.2536   1.6880   4.2536   72.586   46.311   72.586   46.311 -0.000000 0.000000 
1 1 1   24    6    2 f  148.915   34.695   9.6997   3.4159   9.4921   5.1968   9.8577   4.5326  144.941   50.840  152.888   47.226 -7.946426 69.39045 
1 1 1   24    6    4 o  313.687   36.276   42.699   4.2742   44.270   4.7081   35.339   10.193  377.526   21.868  249.849   69.177 127.6766 72.55099 
1 1 1   24    6    6 o  329.515   36.103   47.718   4.5103   49.817   5.0109   38.760   10.352  399.070   22.018  259.960   68.768 139.1101 72.20697 
1 1 1   24    6    8 o  306.567   38.402   43.569   5.4180   44.842   6.3223   40.051   10.513  360.759   30.730  252.374   70.389 108.3858 76.80447 
1 1 1   24    6   10 o  124.968   35.130   8.8120   4.6543   13.036   5.5563  -1.1235   8.5215  154.967   52.644   94.969   46.531 59.99785 70.26045 
1 1 1   24    6   12 o  179.138   38.111   18.070   3.9678   16.687   4.3606   24.723   9.5663  200.812   39.485  157.464   65.199 43.34831 76.22282 
1 1 1   24    6   14 o  103.868   47.273   7.1863   6.1479   7.1863   6.1479   0.0000   0.0000  103.868   47.273  ?   ?       ?      ? 
1 1 1   24    7    1 o  240.698   31.857   21.642   4.1946   14.840   5.3684   32.305   6.7211  185.544   49.725  295.852   39.836 -110.3086 63.71403 
1 1 1   24    7    3 f   87.896   30.057  -4.3342   4.7208  -0.3011   6.3020  -9.4914   7.1263   95.637   44.995   80.155   39.864 15.48129 60.11401 
1 1 1   24    7    5 o  104.996   33.606  -0.1099   3.9091  -4.2752   4.5971   10.766   7.4284   72.667   35.285  137.326   57.206 -64.65968 67.21259 
1 1 1   24    7    7 o  101.433   32.636   2.7623   4.2202   4.4331   5.0651  -1.0309   7.6318  106.954   46.002   95.911   46.306 11.04350 65.27202 
1 1 1   24    7    9 o   94.133   29.418   2.4470   3.0937   1.0421   4.1256   4.2520   4.6764   85.338   38.795  102.929   44.234 -17.59048 58.83661 
1 1 1   24    7   11 o  195.746   30.662   15.970   3.3197   11.526   4.2144   23.237   5.3888  157.008   44.841  234.484   41.832 -77.47595 61.32442 
1 1 1   24    7   13 o   78.327   38.282  -1.7874   5.6624  -1.7874   5.6624   0.0000   0.0000   78.327   38.282  ?   ?       ?      ? 
1 1 1   24    7   15 o   78.175   37.629   0.5588   4.9507   0.5588   4.9507   0.0000   0.0000   78.175   37.629  ?   ?       ?      ? 
1 1 1   24    8    0 o   72.161   31.912   2.0567   3.8183   2.0567   3.8183   2.0567   3.8183   72.161   45.131   72.161   45.131 -0.000000 0.000000 
1 1 1   24    8    2 o  112.637   35.693   4.1226   4.8038   0.8765   6.6016   7.7758   7.0034   99.662   46.620  125.612   54.060 -25.94953 71.38624 
1 1 1   24    8    4 f  201.240   37.542   16.250   3.7312   13.976   4.1723   25.328   8.3377  191.377   39.537  211.102   63.832 -19.72508 75.08414 
1 1 1   24    8    6 o  179.953   31.256   16.591   3.2660   17.882   3.5664   9.8800   8.1298  232.537   26.894  127.369   56.431 105.1680 62.51194 
1 1 1   24    8    8 o  112.441   35.566   6.3078   4.6588   6.6033   5.7947   5.7679   7.8341  114.531   49.231  110.352   51.342 4.178947 71.13131 
1 1 1   24    8   10 o  119.026   35.381   8.3234   4.0302   8.2178   4.6796   8.6264   7.9296  124.235   47.445  113.817   52.499 10.41862 70.76134 
1 1 1   24    8   12 o  109.182   30.885   4.9884   3.4005   11.866   4.9707  -1.0629   4.6623  142.156   49.730   76.209   36.641 65.94714 61.77069 
1 1 1   24    8   14 o  150.015   60.142   22.579   7.8301   22.579   7.8301   0.0000   0.0000  150.015   60.142  ?   ?       ?      ? 
1 1 1   24    9    1 o  144.418   35.125   9.6954   3.5436   7.5932   4.7971   12.220   5.2573  128.320   48.262  160.516   51.049 -32.19624 70.25095 
1 1 1   24    9    3 o  106.713   33.819   3.6381   4.0540   2.3546   5.0077   6.0789   6.9057   97.501   43.672  115.924   51.649 -18.42336 67.63753 
1 1 1   24    9    5 o   99.225   32.155   1.0441   3.5709  -1.4724   4.1603   8.0867   6.9597   76.572   36.187  121.878   53.161 -45.30621 64.30907 
1 1 1   24    9    7 o   95.782   31.637   1.2745   3.8953  -0.7490   4.6892   5.7794   6.9967   81.486   38.482  110.079   50.228 -28.59347 63.27452 
1 1 1   24    9    9 o   82.731   27.774  -0.3369   3.5424   1.5441   4.0682  -6.2350   7.2037   85.520   38.739   79.942   39.810 5.577888 55.54793 
1 1 1   24    9   11 o  100.387   32.766   4.9979   4.1401   4.1152   4.9378   7.0871   7.5966   96.107   43.184  104.666   49.291 -8.559441 65.53233 
1 1 1   24    9   13 f  100.643   45.064   6.3626   5.3278   6.3626   5.3278   0.0000   0.0000  100.643   45.064  ?   ?       ?      ? 
1 1 1   24   10    0 o   56.093   27.664  -2.4027   4.5428  -2.4027   4.5428  -2.4027   4.5428   56.093   39.123   56.093   39.123 -0.000000 0.000000 
1 1 1   24   10    2 o  181.666   42.303   19.424   5.1623   20.534   6.9376   18.046   7.7275  195.751   58.010  167.580   61.589 28.17126 84.60668 
1 1 1   24   10    4 o  185.182   34.090   15.477   3.6687   12.742   4.9699   18.752   5.4383  163.544   49.244  206.821   47.155 -43.27724 68.18025 
1 1 1   24   10    6 o  156.311   32.589   10.678   2.9762   13.787   5.1380   9.1083   3.6512  166.896   50.028  145.725   41.776 21.17105 65.17740 
1 1 1   24   10    8 o   88.262   29.731  -1.8902   3.5608  -5.8120   4.2187   7.8250   6.6399   62.874   31.167  113.650   50.640 -50.77579 59.46229 
1 1 1   24   10   10 o   95.070   30.939   3.1703   3.2873   2.1104   3.7081   7.0609   7.1046   84.689   37.781  105.452   49.006 -20.76260 61.87883 
1 1 1   24   10   12 o   79.110   27.273  -0.3624   3.5685  -0.8487   4.1604   0.9915   6.9413   72.395   34.757   85.825   42.039 -13.43008 54.54650 
1 1 1   24   11    1 o  122.840   38.203   8.5228   5.0783   12.819   8.0371   5.6678   6.5519  135.120   58.027  110.560   49.705 24.55978 76.40512 
1 1 1   24   11    3 o  122.993   33.854   7.9547   3.6913   9.4275   4.4563   4.7346   6.5890  139.693   47.147  106.294   48.594 33.39837 67.70738 
1 1 1   24   11    5 o   64.102   22.202  -4.1694   2.7068  -3.7343   3.5406  -4.7813   4.1990   62.570   30.513   65.635   32.260 -3.065044 44.40469 
1 1 1   24   11    7 o   95.774   31.457   2.8987   3.9854   1.8382   5.0029   4.7406   6.5931   89.551   41.444  101.997   47.335 -12.44588 62.91431 
1 1 1   24   11    9 o   88.960   28.395   2.4964   3.1148   0.6518   4.4454   4.2754   4.3656   81.066   38.028   96.855   42.179 -15.78892 56.79083 
1 1 1   24   11   11 o   98.792   30.130   5.4455   3.2819   6.3718   3.7213   2.2033   6.9622  109.098   42.144   88.485   43.071 20.61269 60.26020 
1 1 1   24   12    0 o   51.141   25.737  -4.1579   4.6148  -4.1579   4.6148  -4.1579   4.6148   51.141   36.397   51.141   36.397 0.000000 0.000000 
1 1 1   24   12    2 o  106.140   34.683   4.8656   4.7585   8.1858   7.7642   2.8683   6.0221  114.879   52.604   97.400   45.215 17.47882 69.36581 
1 1 1   24   12    4 o   77.233   25.802  -0.7346   2.9849  -1.1604   4.1507  -0.2786   4.2956   75.226   35.725   79.240   37.239 -4.014030 51.60434 
1 1 1   24   12    6 o  134.773   33.784   9.8707   3.3427   7.8635   4.7371   11.861   4.7175  119.351   47.126  150.195   48.420 -30.84450 67.56702 
1 1 1   24   12    8 o  132.276   26.653   9.2877   3.5027   15.403   4.0710  -8.1425   6.8728  191.478   38.614   73.074   36.748 118.4035 53.30535 
1 1 1   24   12   10 f  118.258   25.181   6.1819   2.8437  -4.1940   4.5976   12.611   3.6190   66.288   32.801  170.228   38.216 -103.9404 50.36267 
1 1 1   24   13    1 o  194.707   44.551   26.974   5.7984   26.249   9.0296   27.482   7.5640  175.241   66.149  214.173   59.695 -38.93207 89.10215 
1 1 1   24   13    3 o  107.063   29.806   4.5483   3.1383   9.6965   4.3938  -0.8136   4.4841  136.601   46.812   77.525   36.908 59.07621 59.61139 
1 1 1   24   13    5 o   77.825   25.540   0.4898   2.6743   0.5238   3.4405   0.4378   4.2508   75.831   34.832   79.820   37.361 -3.989349 51.07941 
1 1 1   24   13    7 o   92.654   27.326   3.2273   2.6305  -0.0562   3.7947   6.2648   3.6497   74.322   34.951  110.985   42.016 -36.66337 54.65240 
1 1 1   24   13    9 o   81.638   27.383   1.3422   3.1754   0.9777   3.7482   2.2690   5.9768   76.656   35.614   86.620   41.605 -9.963715 54.76630 
1 1 1   24   14    0 o  130.776   41.100   9.8308   4.5854   9.8308   4.5854   9.8308   4.5854  130.776   58.124  130.776   58.124 0.000000 0.000000 
1 1 1   24   14    2 o   89.286   30.398   1.3407   4.3451   2.6521   7.6051   0.7052   5.2944   94.103   45.623   84.470   40.183 9.632813 60.79575 
1 1 1   24   14    4 o   80.867   26.543   0.4102   2.9961   3.7570   4.3814  -2.5294   4.1062   93.310   41.380   68.424   33.253 24.88612 53.08560 
1 1 1   24   14    6 o  109.197   29.820   6.3982   2.8324   8.2870   3.7589   3.9168   4.3083  125.904   43.290   92.489   41.024 33.41554 59.64060 
1 1 1   24   14    8 o   97.682   25.514   3.7660   2.5545   8.3559   3.2721  -3.3973   4.0877  131.172   40.061   64.192   31.606 66.97950 51.02704 
1 1 1   24   15    1 o  164.975   42.437   22.383   5.2525   24.108   8.6334   21.370   6.6184  153.262   62.530  176.688   57.389 -23.42598 84.87363 
1 1 1   24   15    3 o   77.158   25.365   0.7380   2.7284   1.8872   3.7320  -0.5814   3.9988   81.533   37.001   72.782   34.706 8.751038 50.73034 
1 1 1   24   15    5 o   94.953   29.089   4.3271   2.8926   2.5657   3.8060   6.7359   4.4507   84.048   37.825  105.858   44.204 -21.80954 58.17823 
1 1 1   24   16    0 o  126.681   42.487   10.592   4.9351   10.592   4.9351   10.592   4.9351  126.681   60.086  126.681   60.086 0.000000 0.000000 
1 1 1   24   16    2 o   80.780   27.322   0.3648   3.9114  -9.2660   7.5035   3.9582   4.5834   71.298   36.150   90.262   40.979 -18.96401 54.64497 
1 1 1   24   16    4 o   70.654   23.909  -0.4760   2.7265  -0.0600   3.9908  -0.8402   3.7336   72.635   34.645   68.674   32.958 3.960381 47.81775 
1 1 1   25    0    1 o  155.568   49.404   14.576   6.6231   14.576   6.6231   14.576   6.6231  155.568   69.868  155.568   69.868 0.000000 0.000000 
1 1 1   25    0    3 o   65.871   32.313  -1.3754   5.9793  -1.3754   5.9793  -1.3754   5.9793   65.871   45.697   65.871   45.697 0.000000 0.000000 
1 1 1   25    0    5 o  142.986   49.395   13.706   6.7296   13.706   6.7296   13.706   6.7296  142.986   69.855  142.986   69.855 0.000000 0.000000 
1 1 1   25    0    7 o   81.252   35.832   3.9004   4.7800   3.9004   4.7800   3.9004   4.7800   81.252   50.674   81.252   50.674 -0.000000 0.000000 
1 1 1   25    0    9 o   59.387   30.724 -11.7919   9.2287 -11.7919   9.2287 -11.7919   9.2287   59.387   43.450   59.387   43.450 0.000000 0.000000 
1 1 1   25    1    0 o   63.445   31.438  -2.5828   6.0664  -2.5828   6.0664  -2.5828   6.0664   63.445   44.461   63.445   44.461 -0.000000 0.000000 
1 1 1   25    1    2 o  104.874   33.614   3.8840   4.4576   7.3133   6.2887   0.4213   6.3193  117.102   50.810   92.647   44.022 24.45528 67.22817 
1 1 1   25    1    4 o  127.835   35.049   8.7986   3.6449   8.8185   4.4043   8.7555   6.4930  134.146   46.818  121.523   52.171 12.62332 70.09793 
1 1 1   25    1    6 o  217.589   40.175   26.028   5.0530   27.463   7.1458   24.593   7.1462  228.083   55.471  207.095   58.130 20.98817 80.35019 
1 1 1   25    1    8 o  118.938   38.080   11.209   5.5094   12.935   10.257   10.509   6.5318  115.681   55.278  122.195   52.389 -6.513863 76.15990 
1 1 1   25    1   10 o   93.502   46.384   2.7000   9.4100   0.0000   0.0000   2.7000   9.4100  ?   ?    93.502   46.384      ?      ? 
1 1 1   25    1   12 o  120.230   39.325   16.771   5.9076   12.513   6.8633   28.948   11.606  115.434   51.456  125.026   59.481 -9.591896 78.64935 
1 1 1   25    2    1 o  101.302   31.620  -0.3988   3.6196   11.387   6.3401  -6.0972   4.4086  137.654   54.466   64.951   32.136 72.70316 63.24001 
1 1 1   25    2    3 o  140.188   34.698   10.669   3.6642   8.3128   6.4754   11.779   4.4442  120.127   51.840  160.248   46.134 -40.12099 69.39545 
1 1 1   25    2    5 o  255.658   32.396   28.285   4.1948   28.527   7.3832   28.170   5.0974  232.282   56.319  279.033   32.033 -46.75121 64.79143 
1 1 1   25    2    7 o  185.101   30.098   18.989   3.7372   23.306   4.4763   9.0567   6.7895  253.574   30.955  116.628   51.626 136.9460 60.19510 
1 1 1   25    2    9 o  108.415   33.997   7.4263   4.1996   7.8108   5.6305   6.9443   6.3046  111.227   48.169  105.604   47.989 5.622856 67.99412 
1 1 1   25    2   11 o  112.549   52.382   12.928   8.1655   12.928   8.1655   0.0000   0.0000  112.549   52.382  ?   ?       ?      ? 
1 1 1   25    3    0 o  101.264   43.049   7.2172   6.3504   7.2172   6.3504   7.2172   6.3504  101.264   60.881  101.264   60.881 -0.000000 0.000000 
1 1 1   25    3    2 o  104.294   33.331   3.8864   4.3824   7.6514   6.1530   0.0101   6.2432  117.937   50.714   90.651   43.265 27.28575 66.66111 
1 1 1   25    3    4 o  142.514   37.497   10.963   4.0368   7.3406   5.0803   17.168   6.6488  118.224   48.071  166.803   57.562 -48.57973 74.99470 
1 1 1   25    3    6 o   83.671   28.870  -2.6580   4.4552   1.6015   6.5602  -6.3041   6.0695   93.191   44.442   74.151   36.863 19.04034 57.74038 
1 1 1   25    3    8 o  109.975   34.535   7.2458   4.7463   1.2127   7.2663   11.735   6.2682   91.202   44.303  128.747   52.990 -37.54520 69.07078 
1 1 1   25    3   10 o  208.214   35.532   29.622   4.6746   29.862   5.1609   28.522   11.031  277.873   32.568  138.556   63.162 139.3166 71.06360 
1 1 1   25    3   12 o  182.924   59.077   25.701   7.0202   25.701   7.0202   0.0000   0.0000  182.924   59.077  ?   ?       ?      ? 
1 1 1   25    4    1 o  151.433   35.285   12.548   3.7761   13.731   4.6389   10.227   6.5012  174.346   45.992  128.519   53.525 45.82709 70.57044 
1 1 1   25    4    3 o  262.595   36.884   33.244   5.3288   33.434   7.5387   33.054   7.5335  263.812   51.957  261.378   52.365 2.434357 73.76732 
1 1 1   25    4    5 o  158.139   35.530   13.565   3.6336   13.450   4.3332   13.840   6.6693  173.927   43.732  142.350   56.009 31.57698 71.05938 
1 1 1   25    4    7 o  148.618   35.207   12.459   3.5166   12.091   4.1700   13.364   6.5430  160.854   44.129  136.383   54.871 24.47099 70.41444 
1 1 1   25    4    9 f  101.259   34.471   1.5974   4.9506  -5.5258   5.8515   19.537   9.2860   71.776   35.765  130.741   58.938 -58.96524 68.94112 
1 1 1   25    4   11 f  152.171   57.099   19.203   6.7070   19.203   6.7070   0.0000   0.0000  152.171   57.099  ?   ?       ?      ? 
1 1 1   25    5    0 o  267.758   37.691   28.639   7.2273   28.639   7.2273   28.639   7.2273  267.758   53.303  267.758   53.303 -0.000000 0.000000 
1 1 1   25    5    2 o  235.165   36.995   28.270   5.0821   35.780   7.1735   20.701   7.2010  289.803   43.405  180.526   59.922 109.2770 73.99043 
1 1 1   25    5    4 o  228.490   32.447   21.900   3.7833   19.671   4.4729   27.505   7.0918  228.508   34.324  228.472   55.074 0.3672791E-01 64.89465 
1 1 1   25    5    6 o  221.410   36.029   22.910   4.0974   30.083   7.8019   20.178   4.8149  222.465   60.083  220.354   39.779 2.110275 72.05811 
1 1 1   25    5    8 o   78.084   27.214  -3.5601   4.4935   0.3135   5.3545 -12.7843   8.2628   82.876   39.693   73.292   37.241 9.583237 54.42804 
1 1 1   25    5   10 o  253.540   29.585   29.002   4.0885   27.558   5.2960   31.131   6.4322  257.435   36.074  249.645   46.902 7.789642 59.16978 
1 1 1   25    6    1 o   99.330   32.259   3.3550   4.2455   0.3060   5.9511   6.5151   6.0584   88.589   42.269  110.071   48.743 -21.48222 64.51847 
1 1 1   25    6    3 o  222.067   32.621   21.431   3.5101   20.532   4.0386   24.208   7.0971  241.146   29.367  202.989   58.259 38.15723 65.24219 
1 1 1   25    6    5 o  105.468   34.152   6.0699   4.4807   5.8121   5.2780   6.7351   8.4783  105.446   46.136  105.490   50.367 -0.4356384E-01 68.30327 
1 1 1   25    6    7 o  184.344   35.240   19.506   4.0767   15.519   6.4006   22.226   5.2879  146.589   55.606  222.098   43.305 -75.50940 70.47926 
1 1 1   25    6    9 o  129.585   36.553   12.299   4.2273   16.370   6.1419   8.6354   5.8271  149.251   54.899  109.919   48.275 39.33163 73.10565 
1 1 1   25    7    0 o   83.000   34.250   4.0982   3.8073   4.0982   3.8073   4.0982   3.8073   83.000   48.437   83.000   48.437 0.000000 0.000000 
1 1 1   25    7    2 o   77.458   25.942  -0.8114   3.1088  -2.9319   4.6750   0.8698   4.1625   72.702   35.367   82.213   37.962 -9.510338 51.88387 
1 1 1   25    7    4 o  116.389   37.211   8.7878   5.2824   3.1712   6.8880   16.808   8.2310   95.924   45.688  136.854   58.746 -40.93030 74.42114 
1 1 1   25    7    6 o  126.216   38.778   13.658   5.2631   13.485   6.6283   13.954   8.6583  132.342   54.483  120.091   55.197 12.25089 77.55697 
1 1 1   25    7    8 o   82.883   28.584   0.1417   3.5435  -1.0248   3.9909   4.4868   7.7024   71.293   34.178   94.472   45.828 -23.17885 57.16895 
1 1 1   25    7   10 o  169.211   38.666   25.062   5.1691   25.687   6.0971   23.463   9.7475  212.419   50.980  126.003   58.150 86.41665 77.33270 
1 1 1   25    8    1 o  132.208   31.307   8.6890   2.7931   8.1792   4.0631   9.1458   3.8459  126.513   44.898  137.904   43.642 -11.39170 62.61356 
1 1 1   25    8    3 o  219.921   30.910   28.926   3.4234   31.054   3.7099   16.724   8.8831  310.037   20.983  129.804   58.151 180.2332 61.82061 
1 1 1   25    8    5 o   89.442   30.605  -0.5959   4.1932  -5.2651   5.0748   9.4521   7.4446   68.370   33.941  110.513   50.938 -42.14338 61.20985 
1 1 1   25    8    7 o   98.414   31.584   5.2665   4.3473   8.7346   5.2683  -2.1341   7.6958  114.143   47.908   82.685   41.171 31.45747 63.16850 
1 1 1   25    8    9 o   88.634   29.078   3.1531   4.0065   6.5831   4.6829  -6.2138   7.7387  102.131   44.080   75.137   37.936 26.99431 58.15597 
1 1 1   25    9    0 o  202.289   37.465   17.604   5.2813   17.604   5.2813   17.604   5.2813  202.289   52.983  202.289   52.983 0.000000 0.000000 
1 1 1   25    9    2 o  112.071   31.947   6.5696   3.0080   8.8545   5.1949   5.4172   3.6895  119.041   48.530  105.102   41.561 13.93867 63.89394 
1 1 1   25    9    4 o  114.777   37.094   11.431   5.8187   5.1503   8.8293   16.253   7.7363   97.568   47.711  131.986   56.811 -34.41741 74.18784 
1 1 1   25    9    6 o  101.535   33.260   6.2873   4.2848   4.1126   5.2000   10.887   7.5622   92.748   42.683  110.322   51.020 -17.57339 66.52019 
1 1 1   25    9    8 o  142.840   32.747   13.797   3.4694   13.775   3.8382   13.892   8.1112  173.698   39.624  111.983   52.148 61.71513 65.49389 
1 1 1   25   10    1 o  167.316   33.846   16.284   3.7966   20.303   5.1018   11.297   5.6835  207.811   44.397  126.822   51.100 80.98956 67.69238 
1 1 1   25   10    3 o   95.333   32.430   4.6488   5.2965   1.6520   8.4908   6.5577   6.7766   90.176   44.614  100.490   47.080 -10.31384 64.86060 
1 1 1   25   10    5 o  119.026   35.397   9.6711   3.7600   7.8337   4.3512   15.089   7.4715  114.104   45.130  123.948   54.545 -9.843796 70.79400 
1 1 1   25   10    7 o  271.220   23.306   26.798   3.4292   40.969   6.0648   20.138   4.1575  317.663   33.478  224.776   32.433 92.88678 46.61204 
1 1 1   25   11    0 o  407.798   22.522   56.454   7.3035   56.454   7.3035   56.454   7.3035  407.798   31.851  407.798   31.851 0.000000 0.000000 
1 1 1   25   11    2 o  190.832   44.228   25.405   5.1167   41.326   9.7023   19.271   6.0223  211.425   69.524  170.238   54.689 41.18675 88.45663 
1 1 1   25   11    4 o   89.623   30.958   3.4126   5.1824   3.0011   8.5378   3.6526   6.5211   89.474   44.350   89.772   43.205 -0.2985840 61.91634 
1 1 1   25   12    1 o  134.178   33.902   11.862   3.7017   6.7025   5.1716   17.283   5.3008  100.566   44.759  167.789   50.932 -67.22316 67.80482 
1 1 1   26    0    0 o   59.332   30.571 -13.9641   8.5664 -13.9641   8.5664 -13.9641   8.5664   59.332   43.234   59.332   43.234 -0.000000 0.000000 
1 1 1   26    0    2 o   65.257   32.355  -0.3691   6.4516  -0.3691   6.4516  -0.3691   6.4516   65.257   45.756   65.257   45.756 -0.000000 0.000000 
1 1 1   26    0    4 o   61.083   29.410   0.6036   4.4421   0.6036   4.4421   0.6036   4.4421   61.083   41.592   61.083   41.592 -0.000000 0.000000 
1 1 1   26    1    1 o  150.855   37.058   16.253   4.0997   16.324   5.0445   16.116   7.0362  169.647   49.241  132.064   55.394 37.58321 74.11646 
1 1 1   26    1    3 o  102.658   32.182   7.1465   3.8209   6.2951   6.6548   7.5652   4.6668   96.715   45.726  108.601   45.299 -11.88569 64.36497 
1 1 1   26    2    0 o  109.019   45.694   11.319   6.9634   11.319   6.9634   11.319   6.9634  109.019   64.621  109.019   64.621 -0.000000 0.000000 
1 1 1   26    2    2 o  100.891   46.470  -4.4647   4.4005 -16.5194   6.2661   7.2657   6.1813  ?   ?   100.891   46.470      ?      ? 
1 1 1   26    2    4 o   88.607   29.486   3.4906   3.6273   2.7293   4.3560   5.2121   6.5507   84.415   38.928   92.798   44.297 -8.383583 58.97138 
1 1 1   26    3    1 o  191.599   38.204   20.815   4.1457   31.460   7.3896   15.925   5.0081  217.682   58.341  165.516   49.341 52.16563 76.40804 
1 1 1   26    3    3 o   78.393   27.335  -1.0529   4.3808  -1.3370   6.2810  -0.7838   6.1132   78.090   38.586   78.696   38.728 -0.6063461 54.66921 
1 1 1   26    4    0 o  403.676   16.540   51.583   5.3435   51.583   5.3435   51.583   5.3435  403.676   23.391  403.676   23.391 -0.000000 0.000000 
1 1 1   26    4    2 o   88.923   30.014   1.6163   4.4750  -6.6372   6.3280   9.8728   6.3292   69.649   35.056  108.198   48.728 -38.54969 60.02764 
#END OF REFLECTIONS
